RESP-A1B project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=2, nmol=76, ihfree=1, irstrnt=1, qwt=0.001 &end 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 0 33 1 0 34 1 34 35 1 34 36 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeNH3+ +1 8 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 MeNH3+ +1 8 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeNH3+ +1 8 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 MeNH3+ +1 8 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeNH3+ +1 8 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 MeNH3+ +1 8 6 -1 1 1 -1 2 1 -1 3 1 -1 4 7 -1 5 1 -1 6 1 -1 7 1 -1 8 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeCOO- -1 7 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 MeCOO- -1 7 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeCOO- -1 7 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 MeCOO- -1 7 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 MeCOO- -1 7 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 MeCOO- -1 7 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 8 -1 7 1.0 O-methyl-tyrosine-dipeptide 0 36 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 1.0 O-methyl-tyrosine-dipeptide 0 36 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 8 -1 12 6 0 13 1 0 14 1 14 15 6 -1 16 6 -1 17 1 -1 18 6 -1 19 1 -1 20 6 -1 21 1 -1 22 6 -1 23 1 -1 24 6 -1 25 8 -1 26 6 0 27 1 0 28 1 28 29 1 28 30 7 -1 31 1 -1 32 6 -1 33 1 -1 34 1 -1 35 1 -1 36 Inter-'molecular' charge equivalencing (i. e. for different orientations or conformations) 4 1 1 2 1 3 1 4 1 4 1 2 2 2 3 2 4 2 4 1 13 2 13 3 13 4 13 4 1 14 2 14 3 14 4 14 4 1 27 2 27 3 27 4 27 4 1 28 2 28 3 28 4 28 4 1 33 2 33 3 33 4 33 4 1 34 2 34 3 34 4 34 4 5 1 6 1 7 1 8 1 4 5 2 6 2 7 2 8 2 4 5 13 6 13 7 13 8 13 4 5 14 6 14 7 14 8 14 4 5 27 6 27 7 27 8 27 4 5 28 6 28 7 28 8 28 4 5 33 6 33 7 33 8 33 4 5 34 6 34 7 34 8 34 8 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 8 9 2 10 2 11 2 12 2 13 2 14 2 15 2 16 2 8 9 13 10 13 11 13 12 13 13 13 14 13 15 13 16 13 8 9 14 10 14 11 14 12 14 13 14 14 14 15 14 16 14 8 9 27 10 27 11 27 12 27 13 27 14 27 15 27 16 27 8 9 28 10 28 11 28 12 28 13 28 14 28 15 28 16 28 8 9 33 10 33 11 33 12 33 13 33 14 33 15 33 16 33 8 9 34 10 34 11 34 12 34 13 34 14 34 15 34 16 34 4 17 13 18 13 19 13 20 13 4 17 14 18 14 19 14 20 14 4 17 27 18 27 19 27 20 27 4 17 28 18 28 19 28 20 28 4 21 13 22 13 23 13 24 13 4 21 14 22 14 23 14 24 14 4 21 27 22 27 23 27 24 27 4 21 28 22 28 23 28 24 28 8 25 13 26 13 27 13 28 13 29 13 30 13 31 13 32 13 8 25 14 26 14 27 14 28 14 29 14 30 14 31 14 32 14 8 25 27 26 27 27 27 28 27 29 27 30 27 31 27 32 27 8 25 28 26 28 27 28 28 28 29 28 30 28 31 28 32 28 4 35 13 36 13 37 13 38 13 4 35 14 36 14 37 14 38 14 4 35 27 36 27 37 27 38 27 4 35 28 36 28 37 28 38 28 4 41 13 42 13 43 13 44 13 4 41 14 42 14 43 14 44 14 4 41 27 42 27 43 27 44 27 4 41 28 42 28 43 28 44 28 8 47 13 48 13 49 13 50 13 51 13 52 13 53 13 54 13 8 47 14 48 14 49 14 50 14 51 14 52 14 53 14 54 14 8 47 27 48 27 49 27 50 27 51 27 52 27 53 27 54 27 8 47 28 48 28 49 28 50 28 51 28 52 28 53 28 54 28 4 57 13 58 13 59 13 60 13 4 57 14 58 14 59 14 60 14 4 57 27 58 27 59 27 60 27 4 57 28 58 28 59 28 60 28 4 63 13 64 13 65 13 66 13 4 63 14 64 14 65 14 66 14 4 63 27 64 27 65 27 66 27 4 63 28 64 28 65 28 66 28 8 69 13 70 13 71 13 72 13 73 13 74 13 75 13 76 13 8 69 14 70 14 71 14 72 14 73 14 74 14 75 14 76 14 8 69 27 70 27 71 27 72 27 73 27 74 27 75 27 76 27 8 69 28 70 28 71 28 72 28 73 28 74 28 75 28 76 28