sequence,chem_comp_ID,X_shift,Y_shift,X_atom_name,Y_atom_name
1,LYS,8.259,53.663,H,N
2,LYS,8.255,53.775,H,N
3,LYS,8.292,56.291,H,N
4,ILE,8.19,55.913,H,N
5,THR,8.363,45.514,H,N
6,ILE,8.157,54.588,H,N
7,HIS,8.199,54.392,H,N
8,ASP,8.122,49.65,H,N
9,ARG,8.257,50.626,H,N
10,LYS,8.318,51.707,H,N
11,GLU,8.279,48.649,H,N
12,PHE,8.078,47.07,H,N
13,ALA,8.05,57.03,H,N
14,LYS,7.932,45.312,H,N
15,PHE,8.007,47.72,H,N
16,GLU,8.208,49.242,H,N
17,GLU,8.202,48.464,H,N
18,GLU,8.163,49.961,H,N
19,ARG,8.039,47.851,H,N
20,ALA,7.918,53.952,H,N
21,ARG,7.856,43.354,H,N
22,ALA,7.907,55.489,H,N
23,LYS,7.856,43.354,H,N
24,TRP,7.788,47.2,H,N
25,ASP,8.122,50.848,H,N
26,THR,7.908,29.61,H,N
27,ALA,8.071,58.822,H,N
28,ASN,8.02,35.104,H,N
29,ASN,8.003,45.763,H,N
31,LEU,8.003,45.763,H,N
32,TYR,7.714,45.304,H,N
33,LYS,7.834,54.753,H,N
34,GLU,8.218,51.605,H,N
35,ALA,8.278,60.484,H,N
36,THR,8.023,26.103,H,N
37,SER,8.196,40.286,H,N
38,THR,8.015,34.069,H,N
39,PHE,8.117,51.966,H,N
40,THR,7.945,33.926,H,N
41,ASN,8.274,49.586,H,N
42,ILE,8.0,49.442,H,N
43,THR,8.069,41.131,H,N
44,TYR,8.18,56.189,H,N
45,ARG,8.182,58.137,H,N
46,GLY,7.635,17.2,H,N
47,THR,7.597,41.0,H,N
1,GLY,8.465,23.653,H,N
2,GLY,8.286,22.005,H,N
3,ALA,8.768,50.288,H,N
4,HIS,8.131,29.468,H,N
5,LYS,7.581,41.596,H,N
6,VAL,7.48,51.951,H,N
7,ARG,7.841,51.897,H,N
8,ALA,8.83,54.002,H,N
9,GLY,8.631,18.651,H,N
10,GLY,8.761,30.385,H,N
12,GLY,9.156,12.013,H,N
13,LEU,7.527,37.834,H,N
14,GLU,7.92,44.262,H,N
15,ARG,8.236,35.909,H,N
16,ALA,7.968,47.79,H,N
17,GLU,9.233,47.297,H,N
18,ALA,8.398,60.103,H,N
19,GLY,8.705,22.887,H,N
20,VAL,7.691,51.022,H,N
22,ALA,8.966,67.068,H,N
23,GLU,8.317,42.469,H,N
24,PHE,8.829,36.475,H,N
25,SER,8.793,35.004,H,N
26,ILE,8.484,45.263,H,N
27,TRP,9.53,61.296,H,N
28,THR,8.551,34.389,H,N
29,ARG,7.988,49.337,H,N
30,GLU,8.312,37.59,H,N
31,ALA,7.615,47.762,H,N
32,GLY,7.657,17.464,H,N
33,ALA,8.229,50.066,H,N
34,GLY,8.09,24.733,H,N
35,GLY,7.421,17.788,H,N
36,LEU,8.22,53.762,H,N
37,ALA,8.855,56.202,H,N
38,ILE,8.553,53.385,H,N
39,ALA,8.672,62.569,H,N
40,VAL,8.528,48.205,H,N
41,GLU,8.953,58.489,H,N
42,GLY,8.408,30.977,H,N
44,SER,7.293,26.467,H,N
45,LYS,8.537,46.783,H,N
46,ALA,8.84,58.654,H,N
47,GLU,8.315,50.587,H,N
48,ILE,8.654,57.634,H,N
49,SER,9.265,52.195,H,N
50,PHE,8.432,49.498,H,N
51,GLU,8.711,52.226,H,N
52,ASP,8.742,58.648,H,N
53,ARG,8.236,54.619,H,N
54,LYS,8.365,45.71,H,N
55,ASP,7.799,39.765,H,N
56,GLY,8.347,23.409,H,N
57,SER,8.236,40.264,H,N
58,CYS,8.764,41.57,H,N
59,GLY,9.092,32.305,H,N
60,VAL,8.402,54.21,H,N
61,ALA,8.398,60.103,H,N
62,TYR,8.846,41.143,H,N
63,VAL,8.299,41.088,H,N
64,VAL,8.691,47.906,H,N
65,GLN,8.088,41.201,H,N
66,GLU,7.078,37.063,H,N
68,GLY,8.703,19.322,H,N
69,ASP,8.173,46.075,H,N
70,TYR,8.787,50.288,H,N
71,GLU,9.082,46.477,H,N
72,VAL,9.808,66.603,H,N
73,SER,9.478,50.885,H,N
74,VAL,9.38,54.869,H,N
75,LYS,8.736,51.585,H,N
76,PHE,9.079,49.725,H,N
77,ASN,8.961,60.814,H,N
78,GLU,8.866,17.843,H,N
79,GLU,7.488,45.322,H,N
80,HIS,8.736,51.585,H,N
81,ILE,8.074,41.201,H,N
83,ASP,7.927,35.399,H,N
84,SER,7.398,29.279,H,N
86,PHE,9.243,48.967,H,N
87,VAL,8.785,55.133,H,N
88,VAL,9.45,68.795,H,N
90,VAL,9.146,57.869,H,N
91,ALA,8.533,67.766,H,N
92,SER,8.628,37.84,H,N
94,SER,8.489,39.932,H,N
95,GLY,7.915,39.482,H,N