NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
5218 |
1gps   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 111 H/Q atoms
Start of MODEL 1
1 1H LYS 1 H1 LYS 1 13.510 4.870 10.060
2 2H LYS 1 H2 LYS 1 13.310 4.880 11.680
3 3H LYS 1 H3 LYS 1 13.310 3.450 10.870
4 1HZ LYS 1 HZ1 LYS 1 11.110 6.500 14.620
5 2HZ LYS 1 HZ2 LYS 1 11.830 5.630 15.810
6 3HZ LYS 1 HZ3 LYS 1 12.610 6.920 15.100
7 H ILE 2 H ILE 2 9.830 2.920 10.700
8 H CYS 3 H CYS 3 8.180 3.530 6.900
9 NH1 ARG 4 NH2 ARG 4 3.090 -3.870 6.560
10 NH2 ARG 4 NH1 ARG 4 4.820 -4.470 5.210
11 H ARG 4 H ARG 4 4.330 3.050 8.340
12 HE ARG 4 HE ARG 4 5.240 -2.050 5.030
13 1HH1 ARG 4 HH2 ARG 4 2.620 -3.160 7.080
14 2HH1 ARG 4 HH2 ARG 4 2.860 -4.830 6.700
15 1HH2 ARG 4 HH1 ARG 4 5.660 -4.240 4.730
16 2HH2 ARG 4 HH1 ARG 4 4.580 -5.430 5.360
17 NH1 ARG 5 NH2 ARG 5 -0.490 9.380 8.730
18 NH2 ARG 5 NH1 ARG 5 1.030 9.250 10.410
19 H ARG 5 H ARG 5 2.370 3.370 5.230
20 HE ARG 5 HE ARG 5 1.940 7.350 9.060
21 1HH1 ARG 5 HH2 ARG 5 -0.920 8.920 7.960
22 2HH1 ARG 5 HH2 ARG 5 -0.940 10.140 9.190
23 1HH2 ARG 5 HH1 ARG 5 1.780 8.780 10.870
24 2HH2 ARG 5 HH1 ARG 5 0.530 9.980 10.880
25 NH1 ARG 6 NH2 ARG 6 -5.690 2.090 8.720
26 NH2 ARG 6 NH1 ARG 6 -5.530 -0.060 8.170
27 H ARG 6 H ARG 6 -2.100 4.170 5.570
28 HE ARG 6 HE ARG 6 -4.900 1.030 6.000
29 1HH1 ARG 6 HH2 ARG 6 -5.510 3.030 8.460
30 2HH1 ARG 6 HH2 ARG 6 -5.780 1.830 9.680
31 1HH2 ARG 6 HH1 ARG 6 -4.970 -0.660 7.610
32 2HH2 ARG 6 HH1 ARG 6 -5.810 -0.330 9.090
33 H SER 7 H SER 7 -2.740 2.580 1.440
34 HG SER 7 HG SER 7 -1.830 3.310 -2.270
35 H ALA 8 H ALA 8 -3.560 6.690 0.840
36 H GLY 9 H GLY 9 -6.870 6.390 -1.730
37 H PHE 10 H PHE 10 -5.490 4.670 -3.030
38 H LYS 11 H LYS 11 -8.990 3.670 -4.780
39 1HZ LYS 11 HZ3 LYS 11 -14.460 4.660 -1.940
40 2HZ LYS 11 HZ1 LYS 11 -14.530 6.250 -2.330
41 3HZ LYS 11 HZ2 LYS 11 -15.910 5.410 -2.110
42 H GLY 12 H GLY 12 -10.190 0.700 -2.080
43 H CYS 14 H CYS 14 -7.540 -4.040 -2.590
44 H MET 15 H MET 15 -6.770 -6.540 -3.430
45 H SER 16 H SER 16 -3.960 -7.010 -5.290
46 HG SER 16 HG SER 16 -1.900 -7.870 -8.160
47 H ASN 17 H ASN 17 -0.580 -8.700 -3.410
48 1HD2 ASN 17 HD2 ASN 17 1.940 -10.120 -0.430
49 2HD2 ASN 17 HD2 ASN 17 3.030 -9.840 -1.760
50 H LYS 18 H LYS 18 0.910 -7.510 -5.960
51 1HZ LYS 18 HZ1 LYS 18 6.140 -4.430 -8.980
52 2HZ LYS 18 HZ2 LYS 18 6.660 -5.290 -10.260
53 3HZ LYS 18 HZ3 LYS 18 6.160 -3.740 -10.440
54 H ASN 19 H ASN 19 -0.610 -5.830 -7.320
55 1HD2 ASN 19 HD2 ASN 19 -3.510 -4.940 -10.880
56 2HD2 ASN 19 HD2 ASN 19 -3.540 -3.520 -9.880
57 H CYS 20 H CYS 20 -1.270 -4.010 -5.120
58 H ALA 21 H ALA 21 1.420 -3.060 -4.430
59 H GLN 22 H GLU 22 1.860 -1.690 -7.070
60 H VAL 23 H VAL 23 0.180 0.650 -7.030
61 H CYS 24 H CYS 24 1.120 1.830 -4.890
62 H GLN 25 H GLU 25 3.880 2.410 -5.680
63 H GLN 26 H GLU 26 3.220 4.530 -7.530
64 H GLU 27 H GLN 27 2.220 6.180 -5.590
65 H GLY 28 H GLY 28 4.550 7.670 -4.730
66 CH2 TRP 29 CH2 TRP 29 3.470 6.740 3.800
67 H TRP 29 H TRP 29 4.870 6.000 -2.820
68 HE1 TRP 29 HE1 TRP 29 1.820 7.650 0.000
69 H GLY 30 H GLY 30 7.930 3.860 -0.310
70 H GLY 31 H GLY 31 6.640 1.630 -1.200
71 H GLY 32 H GLY 32 4.970 -2.360 -1.780
72 H ASN 33 H ASN 33 1.830 -2.960 1.060
73 1HD2 ASN 33 HD2 ASN 33 3.270 -4.270 4.030
74 2HD2 ASN 33 HD2 ASN 33 1.670 -4.140 3.360
75 H CYS 34 H CYS 34 -0.380 -6.600 -0.140
76 H ASP 35 H ASP 35 -3.690 -5.060 2.080
77 H GLY 36 H GLY 36 -4.080 -8.680 4.760
78 H PHE 38 H PHE 38 -6.600 -9.000 1.850
79 NH1 ARG 39 NH2 ARG 39 -9.500 -5.790 4.080
80 NH2 ARG 39 NH1 ARG 39 -11.440 -5.260 5.100
81 H ARG 39 H ARG 39 -8.480 -6.640 1.310
82 HE ARG 39 HE ARG 39 -12.550 -6.300 3.180
83 1HH1 ARG 39 HH2 ARG 39 -8.990 -6.290 3.380
84 2HH1 ARG 39 HH2 ARG 39 -9.020 -5.380 4.850
85 1HH2 ARG 39 HH1 ARG 39 -12.430 -5.360 5.200
86 2HH2 ARG 39 HH1 ARG 39 -10.910 -4.830 5.830
87 NH1 ARG 40 NH2 ARG 40 -9.160 -2.660 8.000
88 NH2 ARG 40 NH1 ARG 40 -11.110 -1.630 7.470
89 H ARG 40 H ARG 40 -7.770 -4.220 2.460
90 HE ARG 40 HE ARG 40 -9.840 -0.730 5.520
91 1HH1 ARG 40 HH2 ARG 40 -8.180 -2.760 7.850
92 2HH1 ARG 40 HH2 ARG 40 -9.610 -3.080 8.780
93 1HH2 ARG 40 HH1 ARG 40 -11.660 -1.000 6.910
94 2HH2 ARG 40 HH1 ARG 40 -11.520 -2.070 8.270
95 H CYS 41 H CYS 41 -5.460 -0.890 0.600
96 H LYS 42 H LYS 42 -1.560 -2.210 1.910
97 1HZ LYS 42 HZ2 LYS 42 -1.550 -2.830 8.440
98 2HZ LYS 42 HZ3 LYS 42 -0.110 -2.280 9.000
99 3HZ LYS 42 HZ1 LYS 42 -1.490 -1.470 9.340
100 H CYS 43 H CYS 43 0.660 1.330 2.970
101 H ILE 44 H ILE 44 4.730 0.470 1.290
102 NH1 ARG 45 NH1 ARG 45 12.300 5.710 1.160
103 NH2 ARG 45 NH2 ARG 45 12.320 7.880 0.500
104 H ARG 45 H ARG 45 7.330 2.400 4.270
105 HE ARG 45 HE ARG 45 9.870 7.640 0.300
106 1HH1 ARG 45 HH1 ARG 45 11.840 4.840 1.240
107 2HH1 ARG 45 HH1 ARG 45 13.300 5.770 1.250
108 1HH2 ARG 45 HH2 ARG 45 11.860 8.710 0.210
109 2HH2 ARG 45 HH2 ARG 45 13.320 7.860 0.580
110 H GLN 46 H GLU 46 10.880 4.660 3.170
111 H CYS 47 H CYS 47 10.580 5.620 7.250
Start of MODEL 2
Raw file had 111 H/Q atoms
Start of MODEL 2
1 1H LYS 1 H2 LYS 1 11.840 6.700 10.410
2 2H LYS 1 H3 LYS 1 11.740 7.210 11.970
3 3H LYS 1 H1 LYS 1 12.150 5.670 11.630
4 1HZ LYS 1 HZ2 LYS 1 7.990 9.730 11.210
5 2HZ LYS 1 HZ3 LYS 1 7.600 10.880 12.320
6 3HZ LYS 1 HZ1 LYS 1 8.690 9.710 12.680
7 H ILE 2 H ILE 2 8.230 4.350 11.080
8 H CYS 3 H CYS 3 7.210 4.610 6.890
9 NH1 ARG 4 NH1 ARG 4 4.110 -4.260 7.460
10 NH2 ARG 4 NH2 ARG 4 2.560 -4.880 5.930
11 H ARG 4 H ARG 4 4.040 3.140 8.340
12 HE ARG 4 HE ARG 4 2.470 -2.440 5.390
13 1HH1 ARG 4 HH1 ARG 4 4.480 -3.530 8.030
14 2HH1 ARG 4 HH1 ARG 4 4.250 -5.210 7.710
15 1HH2 ARG 4 HH2 ARG 4 1.780 -4.650 5.350
16 2HH2 ARG 4 HH2 ARG 4 2.700 -5.820 6.230
17 NH1 ARG 5 NH2 ARG 5 0.110 9.800 5.080
18 NH2 ARG 5 NH1 ARG 5 2.230 9.050 5.380
19 H ARG 5 H ARG 5 1.860 3.070 5.220
20 HE ARG 5 HE ARG 5 1.190 7.100 6.450
21 1HH1 ARG 5 HH2 ARG 5 -0.870 9.710 5.230
22 2HH1 ARG 5 HH2 ARG 5 0.500 10.600 4.640
23 1HH2 ARG 5 HH1 ARG 5 2.890 8.370 5.690
24 2HH2 ARG 5 HH1 ARG 5 2.530 9.900 4.960
25 NH1 ARG 6 NH2 ARG 6 -2.090 1.780 7.800
26 NH2 ARG 6 NH1 ARG 6 -3.710 3.130 8.650
27 H ARG 6 H ARG 6 -2.530 2.520 5.870
28 HE ARG 6 HE ARG 6 -5.270 1.650 7.500
29 1HH1 ARG 6 HH2 ARG 6 -1.810 0.940 7.330
30 2HH1 ARG 6 HH2 ARG 6 -1.390 2.310 8.290
31 1HH2 ARG 6 HH1 ARG 6 -4.670 3.390 8.730
32 2HH2 ARG 6 HH1 ARG 6 -3.010 3.630 9.160
33 H SER 7 H SER 7 -2.640 1.940 1.420
34 HG SER 7 HG SER 7 -1.260 3.350 -2.510
35 H ALA 8 H ALA 8 -1.890 6.250 0.300
36 H GLY 9 H GLY 9 -4.000 5.570 -1.870
37 H PHE 10 H PHE 10 -3.490 3.910 -3.350
38 H LYS 11 H LYS 11 -7.270 3.780 -3.170
39 1HZ LYS 11 HZ1 LYS 11 -9.030 8.780 -0.200
40 2HZ LYS 11 HZ2 LYS 11 -9.400 9.460 -1.630
41 3HZ LYS 11 HZ3 LYS 11 -10.220 8.130 -1.100
42 H GLY 12 H GLY 12 -7.080 1.250 -0.050
43 H CYS 14 H CYS 14 -7.730 -5.010 -1.550
44 H MET 15 H MET 15 -7.710 -5.570 -4.970
45 H SER 16 H SER 16 -5.060 -6.480 -5.500
46 HG SER 16 HG SER 16 -2.150 -6.590 -9.460
47 H ASN 17 H ASN 17 -1.840 -8.530 -5.300
48 1HD2 ASN 17 HD2 ASN 17 1.110 -11.240 -4.660
49 2HD2 ASN 17 HD2 ASN 17 0.900 -10.550 -3.070
50 H LYS 18 H LYS 18 0.410 -7.640 -6.640
51 1HZ LYS 18 HZ1 LYS 18 3.230 -6.750 -12.910
52 2HZ LYS 18 HZ2 LYS 18 4.810 -6.460 -13.190
53 3HZ LYS 18 HZ3 LYS 18 4.270 -8.010 -12.980
54 H ASN 19 H ASN 19 -0.620 -5.360 -8.090
55 1HD2 ASN 19 HD2 ASN 19 -1.870 -3.490 -12.140
56 2HD2 ASN 19 HD2 ASN 19 -1.990 -2.180 -11.000
57 H CYS 20 H CYS 20 -1.110 -3.770 -5.840
58 H ALA 21 H ALA 21 1.390 -3.210 -4.750
59 H GLN 22 H GLU 22 2.410 -1.970 -7.280
60 H VAL 23 H VAL 23 0.570 0.390 -7.670
61 H CYS 24 H CYS 24 1.180 1.690 -5.160
62 H GLN 25 H GLU 25 4.070 2.140 -5.880
63 H GLN 26 H GLU 26 3.670 4.090 -7.860
64 H GLU 27 H GLN 27 2.870 5.890 -6.200
65 H GLY 28 H GLY 28 4.620 7.010 -4.810
66 CH2 TRP 29 CH2 TRP 29 2.410 6.200 3.300
67 H TRP 29 H TRP 29 5.000 5.970 -3.200
68 HE1 TRP 29 HE1 TRP 29 1.160 7.320 -0.600
69 H GLY 30 H GLY 30 7.630 3.890 -0.220
70 H GLY 31 H GLY 31 6.510 1.830 -2.000
71 H GLY 32 H GLY 32 5.230 -2.420 -2.010
72 H ASN 33 H ASN 33 1.800 -3.220 0.540
73 1HD2 ASN 33 HD2 ASN 33 3.110 -4.720 3.980
74 2HD2 ASN 33 HD2 ASN 33 4.080 -4.970 2.550
75 H CYS 34 H CYS 34 -0.080 -7.040 -0.510
76 H ASP 35 H ASP 35 -2.680 -6.020 2.730
77 H GLY 36 H GLY 36 -2.270 -9.940 4.380
78 H PHE 38 H PHE 38 -8.520 -10.070 1.700
79 NH1 ARG 39 NH2 ARG 39 -13.150 -9.120 1.120
80 NH2 ARG 39 NH1 ARG 39 -12.990 -9.240 3.390
81 H ARG 39 H ARG 39 -7.970 -6.920 2.120
82 HE ARG 39 HE ARG 39 -11.850 -7.090 3.220
83 1HH1 ARG 39 HH2 ARG 39 -12.720 -8.760 0.290
84 2HH1 ARG 39 HH2 ARG 39 -13.730 -9.930 1.080
85 1HH2 ARG 39 HH1 ARG 39 -12.610 -8.900 4.250
86 2HH2 ARG 39 HH1 ARG 39 -13.490 -10.100 3.380
87 NH1 ARG 40 NH2 ARG 40 -9.160 -2.590 6.550
88 NH2 ARG 40 NH1 ARG 40 -7.900 -2.310 8.420
89 H ARG 40 H ARG 40 -6.820 -5.200 2.830
90 HE ARG 40 HE ARG 40 -6.280 -3.730 7.310
91 1HH1 ARG 40 HH2 ARG 40 -9.280 -2.960 5.630
92 2HH1 ARG 40 HH2 ARG 40 -9.830 -1.950 6.920
93 1HH2 ARG 40 HH1 ARG 40 -7.030 -2.420 8.890
94 2HH2 ARG 40 HH1 ARG 40 -8.600 -1.710 8.790
95 H CYS 41 H CYS 41 -5.220 -1.620 1.260
96 H LYS 42 H LYS 42 -1.350 -2.900 2.170
97 1HZ LYS 42 HZ1 LYS 42 -1.310 -3.380 9.280
98 2HZ LYS 42 HZ2 LYS 42 -2.870 -3.090 9.610
99 3HZ LYS 42 HZ3 LYS 42 -2.460 -4.270 8.550
100 H CYS 43 H CYS 43 0.560 0.950 2.860
101 H ILE 44 H ILE 44 4.720 0.570 1.260
102 NH1 ARG 45 NH1 ARG 45 8.180 10.270 3.130
103 NH2 ARG 45 NH2 ARG 45 8.630 10.840 0.980
104 H ARG 45 H ARG 45 6.900 2.930 4.370
105 HE ARG 45 HE ARG 45 7.360 8.790 0.380
106 1HH1 ARG 45 HH1 ARG 45 7.740 9.670 3.790
107 2HH1 ARG 45 HH1 ARG 45 8.670 11.080 3.430
108 1HH2 ARG 45 HH2 ARG 45 8.580 10.660 0.000
109 2HH2 ARG 45 HH2 ARG 45 9.100 11.650 1.330
110 H GLN 46 H GLU 46 10.430 5.040 3.300
111 H CYS 47 H CYS 47 9.990 6.220 7.290
Start of MODEL 3
Raw file had 111 H/Q atoms
Start of MODEL 3
1 1H LYS 1 H2 LYS 1 12.370 2.450 11.680
2 2H LYS 1 H3 LYS 1 12.860 3.960 11.210
3 3H LYS 1 H1 LYS 1 12.550 3.640 12.790
4 1HZ LYS 1 HZ1 LYS 1 8.670 5.710 15.010
5 2HZ LYS 1 HZ2 LYS 1 9.530 5.400 16.360
6 3HZ LYS 1 HZ3 LYS 1 8.530 6.710 16.290
7 H ILE 2 H ILE 2 8.860 2.630 11.320
8 H CYS 3 H CYS 3 7.740 3.680 7.320
9 NH1 ARG 4 NH1 ARG 4 2.760 -4.240 9.060
10 NH2 ARG 4 NH2 ARG 4 2.370 -2.830 10.790
11 H ARG 4 H ARG 4 3.740 3.300 8.430
12 HE ARG 4 HE ARG 4 3.220 -1.080 9.270
13 1HH1 ARG 4 HH1 ARG 4 3.030 -4.390 8.110
14 2HH1 ARG 4 HH1 ARG 4 2.520 -5.000 9.660
15 1HH2 ARG 4 HH2 ARG 4 2.340 -1.910 11.190
16 2HH2 ARG 4 HH2 ARG 4 2.100 -3.620 11.330
17 NH1 ARG 5 NH2 ARG 5 -2.590 9.020 6.900
18 NH2 ARG 5 NH1 ARG 5 -3.600 8.270 5.030
19 H ARG 5 H ARG 5 1.780 2.680 5.070
20 HE ARG 5 HE ARG 5 -1.520 6.800 4.990
21 1HH1 ARG 5 HH2 ARG 5 -1.820 8.940 7.530
22 2HH1 ARG 5 HH2 ARG 5 -3.260 9.750 6.980
23 1HH2 ARG 5 HH1 ARG 5 -3.540 7.790 4.160
24 2HH2 ARG 5 HH1 ARG 5 -4.320 8.940 5.190
25 NH1 ARG 6 NH2 ARG 6 -7.160 5.770 6.510
26 NH2 ARG 6 NH1 ARG 6 -8.660 4.200 5.980
27 H ARG 6 H ARG 6 -2.540 2.800 5.620
28 HE ARG 6 HE ARG 6 -6.740 3.000 5.290
29 1HH1 ARG 6 HH2 ARG 6 -6.330 6.090 6.060
30 2HH1 ARG 6 HH2 ARG 6 -7.810 6.410 6.910
31 1HH2 ARG 6 HH1 ARG 6 -8.790 3.390 5.410
32 2HH2 ARG 6 HH1 ARG 6 -9.410 4.830 6.180
33 H SER 7 H SER 7 -3.740 2.350 1.250
34 HG SER 7 HG SER 7 -1.740 4.040 -2.230
35 H ALA 8 H ALA 8 -2.680 6.360 0.540
36 H GLY 9 H GLY 9 -4.680 5.660 -2.160
37 H PHE 10 H PHE 10 -4.130 3.910 -3.470
38 H LYS 11 H LYS 11 -8.250 2.440 -4.080
39 1HZ LYS 11 HZ3 LYS 11 -8.720 7.670 -3.960
40 2HZ LYS 11 HZ1 LYS 11 -8.390 8.760 -2.790
41 3HZ LYS 11 HZ2 LYS 11 -7.330 7.550 -3.090
42 H GLY 12 H GLY 12 -8.090 0.310 -0.670
43 H CYS 14 H CYS 14 -6.970 -5.100 -1.330
44 H MET 15 H MET 15 -7.470 -6.380 -4.640
45 H SER 16 H SER 16 -6.000 -6.460 -6.960
46 HG SER 16 HG SER 16 -5.430 -4.170 -9.020
47 H ASN 17 H ASN 17 -3.180 -7.800 -5.920
48 1HD2 ASN 17 HD2 ASN 17 -1.400 -9.740 -2.420
49 2HD2 ASN 17 HD2 ASN 17 -0.820 -10.290 -3.970
50 H LYS 18 H LYS 18 -0.130 -7.070 -7.890
51 1HZ LYS 18 HZ1 LYS 18 3.310 -6.950 -13.810
52 2HZ LYS 18 HZ2 LYS 18 3.880 -8.430 -13.460
53 3HZ LYS 18 HZ3 LYS 18 2.260 -8.180 -13.570
54 H ASN 19 H ASN 19 -1.170 -4.620 -8.770
55 1HD2 ASN 19 HD2 ASN 19 -2.040 -2.650 -12.840
56 2HD2 ASN 19 HD2 ASN 19 -2.260 -1.360 -11.690
57 H CYS 20 H CYS 20 -1.670 -3.370 -6.580
58 H ALA 21 H ALA 21 0.870 -3.000 -5.320
59 H GLN 22 H GLU 22 1.900 -1.460 -7.610
60 H VAL 23 H VAL 23 0.110 1.030 -7.480
61 H CYS 24 H CYS 24 0.800 2.040 -4.810
62 H GLN 25 H GLU 25 3.770 2.320 -5.390
63 H GLN 26 H GLU 26 3.690 4.310 -7.430
64 H GLU 27 H GLN 27 2.730 6.210 -5.840
65 H GLY 28 H GLY 28 4.700 7.020 -4.340
66 CH2 TRP 29 CH2 TRP 29 2.900 5.910 3.800
67 H TRP 29 H TRP 29 5.600 5.660 -3.010
68 HE1 TRP 29 HE1 TRP 29 1.240 6.810 0.020
69 H GLY 30 H GLY 30 7.280 2.930 0.030
70 H GLY 31 H GLY 31 6.390 1.400 -2.040
71 H GLY 32 H GLY 32 4.300 -2.440 -2.140
72 H ASN 33 H ASN 33 1.480 -3.900 0.500
73 1HD2 ASN 33 HD2 ASN 33 3.890 -7.610 -0.230
74 2HD2 ASN 33 HD2 ASN 33 3.730 -6.720 -1.730
75 H CYS 34 H CYS 34 -0.570 -7.220 -0.350
76 H ASP 35 H ASP 35 -1.500 -5.090 2.750
77 H GLY 36 H GLY 36 -0.550 -7.120 6.530
78 H PHE 38 H PHE 38 -6.220 -8.540 5.860
79 NH1 ARG 39 NH2 ARG 39 -12.260 -9.020 -1.080
80 NH2 ARG 39 NH1 ARG 39 -11.830 -11.230 -0.700
81 H ARG 39 H ARG 39 -7.880 -6.790 4.000
82 HE ARG 39 HE ARG 39 -9.640 -10.400 0.160
83 1HH1 ARG 39 HH2 ARG 39 -11.960 -8.070 -1.040
84 2HH1 ARG 39 HH2 ARG 39 -13.130 -9.270 -1.490
85 1HH2 ARG 39 HH1 ARG 39 -11.260 -11.950 -0.330
86 2HH2 ARG 39 HH1 ARG 39 -12.700 -11.440 -1.140
87 NH1 ARG 40 NH2 ARG 40 -9.210 1.980 2.810
88 NH2 ARG 40 NH1 ARG 40 -7.650 3.200 1.680
89 H ARG 40 H ARG 40 -6.280 -5.100 2.500
90 HE ARG 40 HE ARG 40 -6.280 1.130 1.800
91 1HH1 ARG 40 HH2 ARG 40 -9.520 1.090 3.160
92 2HH1 ARG 40 HH2 ARG 40 -9.800 2.780 2.880
93 1HH2 ARG 40 HH1 ARG 40 -6.810 3.240 1.130
94 2HH2 ARG 40 HH1 ARG 40 -8.240 4.000 1.750
95 H CYS 41 H CYS 41 -5.770 -2.040 -0.050
96 H LYS 42 H LYS 42 -1.890 -2.510 1.570
97 1HZ LYS 42 HZ3 LYS 42 -0.440 -0.640 8.630
98 2HZ LYS 42 HZ1 LYS 42 -0.590 0.580 7.570
99 3HZ LYS 42 HZ2 LYS 42 -1.350 0.670 9.000
100 H CYS 43 H CYS 43 0.220 1.040 2.900
101 H ILE 44 H ILE 44 4.380 0.490 1.360
102 NH1 ARG 45 NH1 ARG 45 6.240 9.420 1.980
103 NH2 ARG 45 NH2 ARG 45 6.870 9.730 4.150
104 H ARG 45 H ARG 45 6.930 2.250 4.490
105 HE ARG 45 HE ARG 45 8.120 7.660 3.880
106 1HH1 ARG 45 HH1 ARG 45 6.270 8.880 1.130
107 2HH1 ARG 45 HH1 ARG 45 5.740 10.280 1.990
108 1HH2 ARG 45 HH2 ARG 45 7.270 9.370 4.990
109 2HH2 ARG 45 HH2 ARG 45 6.430 10.620 4.140
110 H GLN 46 H GLU 46 10.800 3.660 3.300
111 H CYS 47 H CYS 47 10.750 4.800 7.520
Start of MODEL 4
Raw file had 111 H/Q atoms
Start of MODEL 4
1 1H LYS 1 H3 LYS 1 13.180 5.240 10.560
2 2H LYS 1 H1 LYS 1 13.310 4.980 12.170
3 3H LYS 1 H2 LYS 1 13.670 3.780 11.140
4 1HZ LYS 1 HZ3 LYS 1 7.860 8.460 12.100
5 2HZ LYS 1 HZ1 LYS 1 8.520 9.460 13.210
6 3HZ LYS 1 HZ2 LYS 1 8.310 9.990 11.670
7 H ILE 2 H ILE 2 9.410 3.040 10.730
8 H CYS 3 H CYS 3 8.470 4.610 6.760
9 NH1 ARG 4 NH1 ARG 4 4.020 -3.250 8.690
10 NH2 ARG 4 NH2 ARG 4 1.800 -3.510 8.070
11 H ARG 4 H ARG 4 4.690 3.850 8.260
12 HE ARG 4 HE ARG 4 2.050 -1.240 7.200
13 1HH1 ARG 4 HH1 ARG 4 4.840 -2.680 8.650
14 2HH1 ARG 4 HH1 ARG 4 4.030 -4.100 9.210
15 1HH2 ARG 4 HH2 ARG 4 1.040 -3.150 7.530
16 2HH2 ARG 4 HH2 ARG 4 1.720 -4.360 8.560
17 NH1 ARG 5 NH2 ARG 5 4.130 9.220 6.140
18 NH2 ARG 5 NH1 ARG 5 4.110 9.910 8.290
19 H ARG 5 H ARG 5 2.280 3.470 4.920
20 HE ARG 5 HE ARG 5 2.130 8.420 8.490
21 1HH1 ARG 5 HH2 ARG 5 3.800 8.590 5.440
22 2HH1 ARG 5 HH2 ARG 5 4.940 9.780 5.980
23 1HH2 ARG 5 HH1 ARG 5 3.780 9.820 9.230
24 2HH2 ARG 5 HH1 ARG 5 4.920 10.470 8.100
25 NH1 ARG 6 NH2 ARG 6 -3.690 5.470 8.540
26 NH2 ARG 6 NH1 ARG 6 -1.860 4.140 8.770
27 H ARG 6 H ARG 6 -1.980 4.830 5.340
28 HE ARG 6 HE ARG 6 -3.190 2.550 7.350
29 1HH1 ARG 6 HH2 ARG 6 -4.620 5.580 8.200
30 2HH1 ARG 6 HH2 ARG 6 -3.270 6.160 9.130
31 1HH2 ARG 6 HH1 ARG 6 -1.430 3.240 8.720
32 2HH2 ARG 6 HH1 ARG 6 -1.430 4.870 9.300
33 H SER 7 H SER 7 -2.160 2.990 1.510
34 HG SER 7 HG SER 7 -1.640 3.500 -2.720
35 H ALA 8 H ALA 8 -3.400 6.900 0.440
36 H GLY 9 H GLY 9 -3.980 6.430 -2.390
37 H PHE 10 H PHE 10 -6.140 4.570 -2.610
38 H LYS 11 H LYS 11 -8.160 2.140 -5.310
39 1HZ LYS 11 HZ1 LYS 11 -13.750 3.920 -3.310
40 2HZ LYS 11 HZ2 LYS 11 -13.540 5.430 -2.730
41 3HZ LYS 11 HZ3 LYS 11 -14.680 5.130 -3.890
42 H GLY 12 H GLY 12 -10.210 0.380 -2.110
43 H CYS 14 H CYS 14 -7.700 -5.050 -2.260
44 H MET 15 H MET 15 -6.880 -7.440 -5.080
45 H SER 16 H SER 16 -4.130 -7.840 -5.130
46 HG SER 16 HG SER 16 -0.240 -9.880 -7.190
47 H ASN 17 H ASN 17 -0.350 -8.850 -3.350
48 1HD2 ASN 17 HD2 ASN 17 4.270 -8.310 -3.270
49 2HD2 ASN 17 HD2 ASN 17 3.730 -6.780 -2.650
50 H LYS 18 H LYS 18 0.880 -7.620 -5.430
51 1HZ LYS 18 HZ2 LYS 18 2.800 -3.680 -10.680
52 2HZ LYS 18 HZ3 LYS 18 4.040 -4.470 -9.960
53 3HZ LYS 18 HZ1 LYS 18 4.090 -4.150 -11.560
54 H ASN 19 H ASN 19 -1.130 -5.970 -6.870
55 1HD2 ASN 19 HD2 ASN 19 -3.800 -5.710 -10.310
56 2HD2 ASN 19 HD2 ASN 19 -3.780 -4.080 -9.680
57 H CYS 20 H CYS 20 -1.180 -3.990 -4.760
58 H ALA 21 H ALA 21 1.330 -3.040 -4.360
59 H GLN 22 H GLU 22 1.520 -1.940 -7.080
60 H VAL 23 H VAL 23 -0.330 0.650 -6.870
61 H CYS 24 H CYS 24 1.230 1.840 -5.010
62 H GLN 25 H GLU 25 3.670 2.230 -5.900
63 H GLN 26 H GLU 26 3.220 4.110 -7.910
64 H GLU 27 H GLN 27 2.920 6.080 -6.060
65 H GLY 28 H GLY 28 5.070 7.180 -5.180
66 CH2 TRP 29 CH2 TRP 29 3.660 6.470 3.510
67 H TRP 29 H TRP 29 5.020 6.280 -2.890
68 HE1 TRP 29 HE1 TRP 29 1.690 7.240 -0.160
69 H GLY 30 H GLY 30 7.960 3.450 -0.800
70 H GLY 31 H GLY 31 6.560 1.730 -2.650
71 H GLY 32 H GLY 32 4.800 -2.210 -1.890
72 H ASN 33 H ASN 33 1.770 -2.630 1.000
73 1HD2 ASN 33 HD2 ASN 33 2.970 -4.170 4.270
74 2HD2 ASN 33 HD2 ASN 33 3.250 -3.570 2.660
75 H CYS 34 H CYS 34 -0.450 -6.240 -0.140
76 H ASP 35 H ASP 35 -2.960 -4.930 3.090
77 H GLY 36 H GLY 36 -2.670 -8.860 4.830
78 H PHE 38 H PHE 38 -8.300 -9.750 1.860
79 NH1 ARG 39 NH1 ARG 39 -14.120 -6.910 0.930
80 NH2 ARG 39 NH2 ARG 39 -14.680 -7.680 -1.130
81 H ARG 39 H ARG 39 -8.220 -6.500 1.840
82 HE ARG 39 HE ARG 39 -12.280 -7.300 -1.670
83 1HH1 ARG 39 HH1 ARG 39 -13.410 -6.670 1.590
84 2HH1 ARG 39 HH1 ARG 39 -15.080 -6.970 1.210
85 1HH2 ARG 39 HH2 ARG 39 -14.410 -8.060 -2.010
86 2HH2 ARG 39 HH2 ARG 39 -15.630 -7.720 -0.830
87 NH1 ARG 40 NH2 ARG 40 -10.600 -3.800 7.030
88 NH2 ARG 40 NH1 ARG 40 -11.440 -4.900 5.270
89 H ARG 40 H ARG 40 -7.040 -4.870 2.700
90 HE ARG 40 HE ARG 40 -8.940 -4.850 4.680
91 1HH1 ARG 40 HH2 ARG 40 -9.820 -3.410 7.510
92 2HH1 ARG 40 HH2 ARG 40 -11.490 -3.910 7.480
93 1HH2 ARG 40 HH1 ARG 40 -11.370 -5.330 4.370
94 2HH2 ARG 40 HH1 ARG 40 -12.290 -4.940 5.790
95 H CYS 41 H CYS 41 -5.500 -0.920 1.580
96 H LYS 42 H LYS 42 -1.790 -2.030 2.680
97 1HZ LYS 42 HZ2 LYS 42 -3.990 -0.630 7.630
98 2HZ LYS 42 HZ3 LYS 42 -3.130 -0.880 9.000
99 3HZ LYS 42 HZ1 LYS 42 -4.040 0.460 8.840
100 H CYS 43 H CYS 43 0.820 1.630 3.110
101 H ILE 44 H ILE 44 4.790 1.300 1.030
102 NH1 ARG 45 NH1 ARG 45 6.300 8.720 0.810
103 NH2 ARG 45 NH2 ARG 45 6.800 10.200 2.450
104 H ARG 45 H ARG 45 7.490 2.930 4.020
105 HE ARG 45 HE ARG 45 8.680 8.660 2.980
106 1HH1 ARG 45 HH1 ARG 45 6.510 7.880 0.300
107 2HH1 ARG 45 HH1 ARG 45 5.550 9.310 0.530
108 1HH2 ARG 45 HH2 ARG 45 7.390 10.530 3.180
109 2HH2 ARG 45 HH2 ARG 45 6.020 10.750 2.150
110 H GLN 46 H GLU 46 11.660 3.410 3.150
111 H CYS 47 H CYS 47 11.450 5.250 7.140
Start of MODEL 5
Raw file had 111 H/Q atoms
Start of MODEL 5
1 1H LYS 1 H1 LYS 1 10.980 10.470 9.350
2 2H LYS 1 H2 LYS 1 11.470 10.690 10.890
3 3H LYS 1 H3 LYS 1 12.260 9.620 9.910
4 1HZ LYS 1 HZ2 LYS 1 6.450 12.880 10.440
5 2HZ LYS 1 HZ3 LYS 1 7.540 14.090 10.700
6 3HZ LYS 1 HZ1 LYS 1 6.820 13.920 9.230
7 H ILE 2 H ILE 2 10.040 6.580 11.030
8 H CYS 3 H CYS 3 8.140 5.760 7.150
9 NH1 ARG 4 NH1 ARG 4 8.410 -0.660 11.770
10 NH2 ARG 4 NH2 ARG 4 7.750 1.140 12.970
11 H ARG 4 H ARG 4 4.880 4.260 8.970
12 HE ARG 4 HE ARG 4 6.310 1.640 10.970
13 1HH1 ARG 4 HH1 ARG 4 8.350 -1.210 10.940
14 2HH1 ARG 4 HH1 ARG 4 9.000 -0.930 12.520
15 1HH2 ARG 4 HH2 ARG 4 7.250 2.000 13.080
16 2HH2 ARG 4 HH2 ARG 4 8.330 0.800 13.710
17 NH1 ARG 5 NH2 ARG 5 -2.520 5.520 10.130
18 NH2 ARG 5 NH1 ARG 5 -2.020 3.310 10.250
19 H ARG 5 H ARG 5 2.680 2.690 5.970
20 HE ARG 5 HE ARG 5 0.230 4.090 9.510
21 1HH1 ARG 5 HH2 ARG 5 -2.180 6.450 10.020
22 2HH1 ARG 5 HH2 ARG 5 -3.440 5.350 10.500
23 1HH2 ARG 5 HH1 ARG 5 -1.320 2.600 10.270
24 2HH2 ARG 5 HH1 ARG 5 -2.950 3.120 10.580
25 NH1 ARG 6 NH2 ARG 6 -7.390 5.190 5.160
26 NH2 ARG 6 NH1 ARG 6 -7.750 2.960 5.210
27 H ARG 6 H ARG 6 -1.000 4.340 5.160
28 HE ARG 6 HE ARG 6 -5.480 2.810 4.220
29 1HH1 ARG 6 HH2 ARG 6 -6.780 5.970 4.990
30 2HH1 ARG 6 HH2 ARG 6 -8.300 5.330 5.550
31 1HH2 ARG 6 HH1 ARG 6 -7.410 2.020 5.150
32 2HH2 ARG 6 HH1 ARG 6 -8.660 3.150 5.560
33 H SER 7 H SER 7 -2.510 2.230 1.530
34 HG SER 7 HG SER 7 -4.390 2.330 -0.870
35 H ALA 8 H ALA 8 -2.070 5.250 1.370
36 H GLY 9 H GLY 9 -2.190 7.060 -2.320
37 H PHE 10 H PHE 10 -3.330 5.110 -3.050
38 H LYS 11 H LYS 11 -7.350 4.300 -4.080
39 1HZ LYS 11 HZ3 LYS 11 -7.400 7.570 0.180
40 2HZ LYS 11 HZ1 LYS 11 -6.920 7.690 1.730
41 3HZ LYS 11 HZ2 LYS 11 -6.200 6.620 0.740
42 H GLY 12 H GLY 12 -8.560 1.270 -1.680
43 H CYS 14 H CYS 14 -7.840 -4.090 -2.160
44 H MET 15 H MET 15 -8.280 -5.900 -5.500
45 H SER 16 H SER 16 -5.810 -6.770 -6.620
46 HG SER 16 HG SER 16 -2.490 -7.000 -9.540
47 H ASN 17 H ASN 17 -3.030 -9.260 -5.060
48 1HD2 ASN 17 HD2 ASN 17 -1.000 -9.310 -0.510
49 2HD2 ASN 17 HD2 ASN 17 -2.240 -9.600 -1.690
50 H LYS 18 H LYS 18 -0.470 -8.440 -6.590
51 1HZ LYS 18 HZ3 LYS 18 0.070 -8.150 -12.880
52 2HZ LYS 18 HZ1 LYS 18 -0.900 -6.850 -12.710
53 3HZ LYS 18 HZ2 LYS 18 0.470 -6.710 -13.570
54 H ASN 19 H ASN 19 -1.570 -5.900 -7.430
55 1HD2 ASN 19 HD2 ASN 19 -3.090 -3.060 -11.280
56 2HD2 ASN 19 HD2 ASN 19 -2.560 -2.120 -9.920
57 H CYS 20 H CYS 20 -1.750 -4.350 -5.120
58 H ALA 21 H ALA 21 1.160 -3.980 -4.490
59 H GLN 22 H GLU 22 2.030 -2.800 -6.670
60 H VAL 23 H VAL 23 0.550 -0.260 -6.770
61 H CYS 24 H CYS 24 1.420 0.940 -4.610
62 H GLN 25 H GLU 25 4.310 1.170 -5.070
63 H GLN 26 H GLU 26 4.140 3.190 -6.980
64 H GLU 27 H GLN 27 3.050 5.140 -5.780
65 H GLY 28 H GLY 28 5.260 7.080 -4.830
66 CH2 TRP 29 CH2 TRP 29 2.940 5.720 3.740
67 H TRP 29 H TRP 29 5.560 5.080 -2.950
68 HE1 TRP 29 HE1 TRP 29 1.570 6.670 -0.150
69 H GLY 30 H GLY 30 7.830 2.950 0.270
70 H GLY 31 H GLY 31 7.120 0.380 0.160
71 H GLY 32 H GLY 32 4.970 -3.230 -1.090
72 H ASN 33 H ASN 33 1.480 -4.150 1.300
73 1HD2 ASN 33 HD2 ASN 33 2.660 -8.420 3.020
74 2HD2 ASN 33 HD2 ASN 33 3.460 -7.910 1.560
75 H CYS 34 H CYS 34 -1.140 -6.800 -0.950
76 H ASP 35 H ASP 35 -3.410 -6.010 2.700
77 H GLY 36 H GLY 36 -3.250 -10.050 3.500
78 H PHE 38 H PHE 38 -9.040 -9.800 0.700
79 NH1 ARG 39 NH1 ARG 39 -11.800 -9.500 1.550
80 NH2 ARG 39 NH2 ARG 39 -11.970 -9.770 -0.660
81 H ARG 39 H ARG 39 -8.590 -6.630 1.520
82 HE ARG 39 HE ARG 39 -11.870 -7.250 -0.740
83 1HH1 ARG 39 HH1 ARG 39 -12.130 -8.940 2.310
84 2HH1 ARG 39 HH1 ARG 39 -11.610 -10.470 1.680
85 1HH2 ARG 39 HH2 ARG 39 -12.380 -9.430 -1.510
86 2HH2 ARG 39 HH2 ARG 39 -11.810 -10.750 -0.550
87 NH1 ARG 40 NH1 ARG 40 -5.560 0.590 3.100
88 NH2 ARG 40 NH2 ARG 40 -6.830 0.540 1.240
89 H ARG 40 H ARG 40 -7.370 -5.040 2.210
90 HE ARG 40 HE ARG 40 -8.690 -0.100 2.780
91 1HH1 ARG 40 HH1 ARG 40 -5.430 0.420 4.080
92 2HH1 ARG 40 HH1 ARG 40 -4.810 0.930 2.540
93 1HH2 ARG 40 HH2 ARG 40 -7.620 0.180 0.740
94 2HH2 ARG 40 HH2 ARG 40 -6.080 0.980 0.750
95 H CYS 41 H CYS 41 -5.220 -1.340 1.620
96 H LYS 42 H LYS 42 -1.590 -2.900 2.600
97 1HZ LYS 42 HZ3 LYS 42 -2.810 -1.300 8.290
98 2HZ LYS 42 HZ1 LYS 42 -3.800 -0.350 7.410
99 3HZ LYS 42 HZ2 LYS 42 -4.440 -1.390 8.510
100 H CYS 43 H CYS 43 1.050 0.530 3.900
101 H ILE 44 H ILE 44 4.980 0.190 2.210
102 NH1 ARG 45 NH1 ARG 45 11.310 5.000 -1.090
103 NH2 ARG 45 NH2 ARG 45 10.630 6.900 -2.120
104 H ARG 45 H ARG 45 7.240 2.920 4.890
105 HE ARG 45 HE ARG 45 9.070 7.120 -0.180
106 1HH1 ARG 45 HH1 ARG 45 11.170 4.300 -0.390
107 2HH1 ARG 45 HH1 ARG 45 11.990 4.860 -1.810
108 1HH2 ARG 45 HH2 ARG 45 9.890 7.550 -2.300
109 2HH2 ARG 45 HH2 ARG 45 11.360 6.780 -2.780
110 H GLN 46 H GLU 46 10.680 5.140 3.460
111 H CYS 47 H CYS 47 9.470 7.980 6.320
Start of MODEL 6
Raw file had 111 H/Q atoms
Start of MODEL 6
1 1H LYS 1 H2 LYS 1 13.360 3.730 9.470
2 2H LYS 1 H3 LYS 1 13.690 4.860 10.610
3 3H LYS 1 H1 LYS 1 13.620 3.280 11.010
4 1HZ LYS 1 HZ3 LYS 1 11.860 7.720 10.970
5 2HZ LYS 1 HZ1 LYS 1 11.360 9.190 11.460
6 3HZ LYS 1 HZ2 LYS 1 12.880 8.990 10.890
7 H ILE 2 H ILE 2 9.970 2.400 10.850
8 H CYS 3 H CYS 3 8.280 3.890 7.350
9 NH1 ARG 4 NH1 ARG 4 2.050 -2.420 5.770
10 NH2 ARG 4 NH2 ARG 4 1.600 -3.220 7.850
11 H ARG 4 H ARG 4 3.990 4.240 8.380
12 HE ARG 4 HE ARG 4 3.290 -1.540 8.590
13 1HH1 ARG 4 HH1 ARG 4 2.450 -1.710 5.190
14 2HH1 ARG 4 HH1 ARG 4 1.490 -3.150 5.380
15 1HH2 ARG 4 HH2 ARG 4 1.500 -3.030 8.820
16 2HH2 ARG 4 HH2 ARG 4 1.100 -3.980 7.440
17 NH1 ARG 5 NH2 ARG 5 -1.160 10.460 7.460
18 NH2 ARG 5 NH1 ARG 5 0.240 9.620 9.020
19 H ARG 5 H ARG 5 1.780 3.280 5.000
20 HE ARG 5 HE ARG 5 1.050 8.150 7.160
21 1HH1 ARG 5 HH2 ARG 5 -1.610 10.410 6.570
22 2HH1 ARG 5 HH2 ARG 5 -1.440 11.140 8.130
23 1HH2 ARG 5 HH1 ARG 5 0.850 8.900 9.360
24 2HH2 ARG 5 HH1 ARG 5 -0.100 10.320 9.640
25 NH1 ARG 6 NH2 ARG 6 -5.790 1.860 0.740
26 NH2 ARG 6 NH1 ARG 6 -7.940 1.250 0.840
27 H ARG 6 H ARG 6 -2.270 4.100 5.470
28 HE ARG 6 HE ARG 6 -7.800 1.900 3.260
29 1HH1 ARG 6 HH2 ARG 6 -4.910 2.000 1.190
30 2HH1 ARG 6 HH2 ARG 6 -5.840 1.780 -0.260
31 1HH2 ARG 6 HH1 ARG 6 -8.710 0.850 1.340
32 2HH2 ARG 6 HH1 ARG 6 -7.890 1.200 -0.160
33 H SER 7 H SER 7 -2.870 2.810 1.210
34 HG SER 7 HG SER 7 -3.730 1.870 -1.890
35 H ALA 8 H ALA 8 -4.590 4.880 0.220
36 H GLY 9 H GLY 9 -3.710 6.360 -2.940
37 H PHE 10 H PHE 10 -4.650 3.970 -3.530
38 H LYS 11 H LYS 11 -8.220 3.390 -4.770
39 1HZ LYS 11 HZ2 LYS 11 -11.260 7.570 -6.820
40 2HZ LYS 11 HZ3 LYS 11 -10.440 7.080 -8.160
41 3HZ LYS 11 HZ1 LYS 11 -11.520 6.080 -7.450
42 H GLY 12 H GLY 12 -9.010 1.180 -1.430
43 H CYS 14 H CYS 14 -7.650 -5.040 -2.140
44 H MET 15 H MET 15 -5.700 -7.110 -5.390
45 H SER 16 H SER 16 -3.490 -8.040 -5.310
46 HG SER 16 HG SER 16 0.250 -10.700 -6.420
47 H ASN 17 H ASN 17 -0.180 -9.150 -2.720
48 1HD2 ASN 17 HD2 ASN 17 2.340 -9.670 0.870
49 2HD2 ASN 17 HD2 ASN 17 3.540 -9.310 -0.340
50 H LYS 18 H LYS 18 1.540 -8.000 -5.060
51 1HZ LYS 18 HZ1 LYS 18 4.980 -5.150 -10.780
52 2HZ LYS 18 HZ2 LYS 18 5.740 -4.270 -9.640
53 3HZ LYS 18 HZ3 LYS 18 6.600 -5.230 -10.660
54 H ASN 19 H ASN 19 -0.320 -6.320 -6.180
55 1HD2 ASN 19 HD2 ASN 19 -2.430 -6.960 -9.770
56 2HD2 ASN 19 HD2 ASN 19 -1.980 -5.300 -9.500
57 H CYS 20 H CYS 20 -1.050 -4.420 -4.440
58 H ALA 21 H ALA 21 1.560 -3.300 -3.830
59 H GLN 22 H GLU 22 2.100 -2.340 -6.590
60 H VAL 23 H VAL 23 0.250 0.230 -7.020
61 H CYS 24 H CYS 24 1.540 1.520 -4.890
62 H GLN 25 H GLU 25 4.280 1.790 -5.580
63 H GLN 26 H GLU 26 4.020 3.680 -7.710
64 H GLU 27 H GLN 27 2.950 5.640 -6.220
65 H GLY 28 H GLY 28 5.530 6.630 -5.090
66 CH2 TRP 29 CH2 TRP 29 3.820 6.450 4.020
67 H TRP 29 H TRP 29 5.590 5.390 -2.990
68 HE1 TRP 29 HE1 TRP 29 2.690 8.040 0.260
69 H GLY 30 H GLY 30 7.900 3.290 0.180
70 H GLY 31 H GLY 31 6.760 1.410 -1.960
71 H GLY 32 H GLY 32 4.820 -2.540 -1.280
72 H ASN 33 H ASN 33 1.580 -2.900 1.500
73 1HD2 ASN 33 HD2 ASN 33 3.100 -4.990 4.490
74 2HD2 ASN 33 HD2 ASN 33 1.440 -5.000 3.970
75 H CYS 34 H CYS 34 -0.460 -6.610 0.320
76 H ASP 35 H ASP 35 -3.710 -4.880 2.480
77 H GLY 36 H GLY 36 -4.300 -7.990 5.720
78 H PHE 38 H PHE 38 -7.610 -7.390 3.280
79 NH1 ARG 39 NH1 ARG 39 -15.190 -6.780 -0.180
80 NH2 ARG 39 NH2 ARG 39 -14.770 -7.930 1.720
81 H ARG 39 H ARG 39 -10.120 -6.080 1.580
82 HE ARG 39 HE ARG 39 -12.410 -7.190 1.410
83 1HH1 ARG 39 HH1 ARG 39 -14.890 -6.240 -0.960
84 2HH1 ARG 39 HH1 ARG 39 -16.150 -7.040 -0.070
85 1HH2 ARG 39 HH2 ARG 39 -14.150 -8.280 2.420
86 2HH2 ARG 39 HH2 ARG 39 -15.740 -8.160 1.740
87 NH1 ARG 40 NH1 ARG 40 -9.680 0.140 6.870
88 NH2 ARG 40 NH2 ARG 40 -11.090 0.750 5.210
89 H ARG 40 H ARG 40 -7.500 -4.220 1.320
90 HE ARG 40 HE ARG 40 -9.880 -0.950 3.850
91 1HH1 ARG 40 HH1 ARG 40 -9.120 -0.590 7.250
92 2HH1 ARG 40 HH1 ARG 40 -10.050 0.860 7.450
93 1HH2 ARG 40 HH2 ARG 40 -11.570 0.530 4.360
94 2HH2 ARG 40 HH2 ARG 40 -11.460 1.450 5.830
95 H CYS 41 H CYS 41 -5.690 -0.500 1.130
96 H LYS 42 H LYS 42 -1.760 -1.850 1.940
97 1HZ LYS 42 HZ2 LYS 42 -4.880 -0.080 6.490
98 2HZ LYS 42 HZ3 LYS 42 -5.100 -0.300 8.100
99 3HZ LYS 42 HZ1 LYS 42 -4.660 1.160 7.530
100 H CYS 43 H CYS 43 0.450 1.740 2.830
101 H ILE 44 H ILE 44 4.670 0.930 1.460
102 NH1 ARG 45 NH1 ARG 45 9.760 9.330 2.230
103 NH2 ARG 45 NH2 ARG 45 9.600 9.190 -0.040
104 H ARG 45 H ARG 45 7.050 2.540 4.670
105 HE ARG 45 HE ARG 45 7.790 7.640 0.350
106 1HH1 ARG 45 HH1 ARG 45 9.590 8.900 3.110
107 2HH1 ARG 45 HH1 ARG 45 10.420 10.080 2.140
108 1HH2 ARG 45 HH2 ARG 45 9.300 8.650 -0.830
109 2HH2 ARG 45 HH2 ARG 45 10.270 9.930 -0.160
110 H GLN 46 H GLU 46 11.010 3.610 3.230
111 H CYS 47 H CYS 47 11.040 5.290 7.020
Start of MODEL 7
Raw file had 111 H/Q atoms
Start of MODEL 7
1 1H LYS 1 H2 LYS 1 12.600 4.710 10.770
2 2H LYS 1 H3 LYS 1 12.430 6.150 11.540
3 3H LYS 1 H1 LYS 1 12.590 4.780 12.410
4 1HZ LYS 1 HZ2 LYS 1 7.650 9.760 12.380
5 2HZ LYS 1 HZ3 LYS 1 6.590 9.720 11.120
6 3HZ LYS 1 HZ1 LYS 1 6.170 9.100 12.580
7 H ILE 2 H ILE 2 8.790 3.440 11.420
8 H CYS 3 H CYS 3 7.890 4.080 7.340
9 NH1 ARG 4 NH1 ARG 4 2.970 -3.280 6.750
10 NH2 ARG 4 NH2 ARG 4 0.930 -3.180 7.710
11 H ARG 4 H ARG 4 3.640 4.060 8.140
12 HE ARG 4 HE ARG 4 1.070 -0.730 7.260
13 1HH1 ARG 4 HH1 ARG 4 3.760 -2.840 6.330
14 2HH1 ARG 4 HH1 ARG 4 2.960 -4.270 6.900
15 1HH2 ARG 4 HH2 ARG 4 0.250 -2.670 8.240
16 2HH2 ARG 4 HH2 ARG 4 0.920 -4.180 7.730
17 NH1 ARG 5 NH2 ARG 5 0.470 11.370 5.740
18 NH2 ARG 5 NH1 ARG 5 0.090 11.110 7.960
19 H ARG 5 H ARG 5 1.820 3.630 4.550
20 HE ARG 5 HE ARG 5 0.360 8.710 7.540
21 1HH1 ARG 5 HH2 ARG 5 0.650 10.980 4.840
22 2HH1 ARG 5 HH2 ARG 5 0.410 12.360 5.870
23 1HH2 ARG 5 HH1 ARG 5 0.060 10.530 8.770
24 2HH2 ARG 5 HH1 ARG 5 0.000 12.100 8.040
25 NH1 ARG 6 NH2 ARG 6 -5.410 4.650 7.660
26 NH2 ARG 6 NH1 ARG 6 -6.290 2.520 7.950
27 H ARG 6 H ARG 6 -2.500 4.910 4.860
28 HE ARG 6 HE ARG 6 -6.910 2.680 5.640
29 1HH1 ARG 6 HH2 ARG 6 -5.290 5.410 7.020
30 2HH1 ARG 6 HH2 ARG 6 -5.070 4.700 8.590
31 1HH2 ARG 6 HH1 ARG 6 -6.840 1.790 7.550
32 2HH2 ARG 6 HH1 ARG 6 -5.930 2.460 8.870
33 H SER 7 H SER 7 -3.160 3.020 0.770
34 HG SER 7 HG SER 7 -1.320 3.500 -3.250
35 H ALA 8 H ALA 8 -1.820 6.680 -1.700
36 H GLY 9 H GLY 9 -5.270 6.480 -2.950
37 H PHE 10 H PHE 10 -4.000 4.340 -3.980
38 H LYS 11 H LYS 11 -7.390 3.990 -3.310
39 1HZ LYS 11 HZ1 LYS 11 -5.890 6.050 1.350
40 2HZ LYS 11 HZ2 LYS 11 -5.110 7.380 0.870
41 3HZ LYS 11 HZ3 LYS 11 -5.820 7.340 2.350
42 H GLY 12 H GLY 12 -7.690 0.830 -1.360
43 H CYS 14 H CYS 14 -7.430 -4.020 -2.100
44 H MET 15 H MET 15 -6.350 -6.390 -5.610
45 H SER 16 H SER 16 -4.180 -7.490 -4.990
46 HG SER 16 HG SER 16 -0.660 -10.720 -6.510
47 H ASN 17 H ASN 17 -1.110 -9.210 -2.840
48 1HD2 ASN 17 HD2 ASN 17 0.040 -8.240 1.340
49 2HD2 ASN 17 HD2 ASN 17 1.530 -7.730 0.580
50 H LYS 18 H LYS 18 0.910 -8.510 -5.020
51 1HZ LYS 18 HZ3 LYS 18 4.990 -10.090 -9.050
52 2HZ LYS 18 HZ1 LYS 18 5.780 -9.390 -10.300
53 3HZ LYS 18 HZ2 LYS 18 5.180 -8.460 -9.100
54 H ASN 19 H ASN 19 -0.670 -6.610 -6.520
55 1HD2 ASN 19 HD2 ASN 19 -2.990 -6.460 -10.050
56 2HD2 ASN 19 HD2 ASN 19 -2.290 -4.930 -9.600
57 H CYS 20 H CYS 20 -1.150 -4.400 -4.560
58 H ALA 21 H ALA 21 1.380 -3.540 -4.150
59 H GLN 22 H GLU 22 2.030 -2.790 -6.750
60 H VAL 23 H VAL 23 0.290 -0.220 -7.090
61 H CYS 24 H CYS 24 1.480 1.140 -5.200
62 H GLN 25 H GLU 25 3.980 1.620 -6.110
63 H GLN 26 H GLU 26 3.950 3.230 -8.340
64 H GLU 27 H GLN 27 2.880 5.180 -6.630
65 H GLY 28 H GLY 28 4.910 6.210 -5.240
66 CH2 TRP 29 CH2 TRP 29 3.490 6.640 3.120
67 H TRP 29 H TRP 29 5.680 5.170 -3.620
68 HE1 TRP 29 HE1 TRP 29 1.840 7.120 -0.740
69 H GLY 30 H GLY 30 7.820 3.340 -0.170
70 H GLY 31 H GLY 31 6.880 1.360 -2.060
71 H GLY 32 H GLY 32 4.670 -2.370 -1.750
72 H ASN 33 H ASN 33 1.810 -2.580 1.450
73 1HD2 ASN 33 HD2 ASN 33 2.030 -3.510 5.180
74 2HD2 ASN 33 HD2 ASN 33 2.850 -3.160 3.690
75 H CYS 34 H CYS 34 -0.370 -6.310 0.340
76 H ASP 35 H ASP 35 -3.640 -4.900 2.770
77 H GLY 36 H GLY 36 -3.160 -8.880 4.140
78 H PHE 38 H PHE 38 -9.310 -9.310 1.180
79 NH1 ARG 39 NH1 ARG 39 -11.670 -8.480 -0.310
80 NH2 ARG 39 NH2 ARG 39 -12.710 -8.960 1.650
81 H ARG 39 H ARG 39 -8.760 -6.220 1.680
82 HE ARG 39 HE ARG 39 -12.700 -6.520 2.000
83 1HH1 ARG 39 HH1 ARG 39 -11.400 -7.780 -0.990
84 2HH1 ARG 39 HH1 ARG 39 -11.560 -9.450 -0.520
85 1HH2 ARG 39 HH2 ARG 39 -13.420 -8.660 2.280
86 2HH2 ARG 39 HH2 ARG 39 -12.520 -9.930 1.540
87 NH1 ARG 40 NH1 ARG 40 -10.260 0.950 4.580
88 NH2 ARG 40 NH2 ARG 40 -10.700 0.910 2.380
89 H ARG 40 H ARG 40 -7.300 -4.540 1.950
90 HE ARG 40 HE ARG 40 -9.060 -1.130 2.510
91 1HH1 ARG 40 HH1 ARG 40 -9.580 0.720 5.270
92 2HH1 ARG 40 HH1 ARG 40 -10.990 1.610 4.740
93 1HH2 ARG 40 HH2 ARG 40 -10.280 0.890 1.480
94 2HH2 ARG 40 HH2 ARG 40 -11.510 1.470 2.550
95 H CYS 41 H CYS 41 -5.820 -0.790 0.700
96 H LYS 42 H LYS 42 -1.700 -1.780 1.750
97 1HZ LYS 42 HZ2 LYS 42 -3.490 -0.640 8.150
98 2HZ LYS 42 HZ3 LYS 42 -5.020 0.010 8.090
99 3HZ LYS 42 HZ1 LYS 42 -4.770 -1.600 7.790
100 H CYS 43 H CYS 43 0.370 1.830 2.690
101 H ILE 44 H ILE 44 4.540 0.720 1.320
102 NH1 ARG 45 NH1 ARG 45 12.200 7.580 2.540
103 NH2 ARG 45 NH2 ARG 45 11.630 8.800 0.750
104 H ARG 45 H ARG 45 7.200 2.270 4.510
105 HE ARG 45 HE ARG 45 9.740 7.150 0.500
106 1HH1 ARG 45 HH1 ARG 45 11.990 6.900 3.240
107 2HH1 ARG 45 HH1 ARG 45 12.990 8.170 2.650
108 1HH2 ARG 45 HH2 ARG 45 10.940 9.120 0.110
109 2HH2 ARG 45 HH2 ARG 45 12.470 9.310 0.900
110 H GLN 46 H GLU 46 11.010 3.750 3.620
111 H CYS 47 H CYS 47 11.190 5.300 7.680
Start of MODEL 8
Raw file had 111 H/Q atoms
Start of MODEL 8
1 1H LYS 1 H1 LYS 1 11.490 5.980 11.860
2 2H LYS 1 H2 LYS 1 11.080 5.590 13.390
3 3H LYS 1 H3 LYS 1 11.610 4.430 12.350
4 1HZ LYS 1 HZ1 LYS 1 4.620 8.510 12.460
5 2HZ LYS 1 HZ2 LYS 1 5.910 9.510 12.490
6 3HZ LYS 1 HZ3 LYS 1 5.110 9.240 11.080
7 H ILE 2 H ILE 2 7.890 3.650 10.950
8 H CYS 3 H CYS 3 7.140 4.970 6.930
9 NH1 ARG 4 NH1 ARG 4 2.720 -3.590 7.250
10 NH2 ARG 4 NH2 ARG 4 0.500 -3.180 7.330
11 H ARG 4 H ARG 4 3.650 3.440 8.210
12 HE ARG 4 HE ARG 4 1.100 -0.880 6.630
13 1HH1 ARG 4 HH1 ARG 4 3.640 -3.350 6.930
14 2HH1 ARG 4 HH1 ARG 4 2.550 -4.470 7.690
15 1HH2 ARG 4 HH2 ARG 4 -0.290 -2.580 7.220
16 2HH2 ARG 4 HH2 ARG 4 0.380 -4.110 7.670
17 NH1 ARG 5 NH2 ARG 5 2.290 10.150 7.650
18 NH2 ARG 5 NH1 ARG 5 2.970 9.140 9.510
19 H ARG 5 H ARG 5 1.920 3.660 5.010
20 HE ARG 5 HE ARG 5 1.350 7.390 8.850
21 1HH1 ARG 5 HH2 ARG 5 1.650 10.220 6.890
22 2HH1 ARG 5 HH2 ARG 5 2.870 10.920 7.910
23 1HH2 ARG 5 HH1 ARG 5 2.980 8.370 10.150
24 2HH2 ARG 5 HH1 ARG 5 3.460 9.980 9.710
25 NH1 ARG 6 NH2 ARG 6 -3.630 4.810 7.370
26 NH2 ARG 6 NH1 ARG 6 -2.270 3.070 7.890
27 H ARG 6 H ARG 6 -2.580 4.000 5.080
28 HE ARG 6 HE ARG 6 -3.690 1.740 6.410
29 1HH1 ARG 6 HH2 ARG 6 -4.430 5.190 6.900
30 2HH1 ARG 6 HH2 ARG 6 -3.100 5.390 7.990
31 1HH2 ARG 6 HH1 ARG 6 -1.880 2.180 7.640
32 2HH2 ARG 6 HH1 ARG 6 -1.810 3.630 8.570
33 H SER 7 H SER 7 -2.800 2.880 0.600
34 HG SER 7 HG SER 7 -0.980 4.700 -2.950
35 H ALA 8 H ALA 8 -1.610 6.980 -0.790
36 H GLY 9 H GLY 9 -4.730 6.580 -2.890
37 H PHE 10 H PHE 10 -3.470 4.200 -3.940
38 H LYS 11 H LYS 11 -7.120 4.010 -3.920
39 1HZ LYS 11 HZ1 LYS 11 -7.780 7.920 0.850
40 2HZ LYS 11 HZ2 LYS 11 -6.330 7.410 0.290
41 3HZ LYS 11 HZ3 LYS 11 -6.570 9.000 0.670
42 H GLY 12 H GLY 12 -7.700 1.400 -0.710
43 H CYS 14 H CYS 14 -7.760 -4.390 -2.450
44 H MET 15 H MET 15 -6.250 -5.820 -5.780
45 H SER 16 H SER 16 -3.900 -7.170 -5.100
46 HG SER 16 HG SER 16 -2.220 -8.410 -7.220
47 H ASN 17 H ASN 17 -1.120 -9.100 -2.520
48 1HD2 ASN 17 HD2 ASN 17 -0.180 -8.560 1.700
49 2HD2 ASN 17 HD2 ASN 17 1.250 -7.760 1.140
50 H LYS 18 H LYS 18 0.760 -8.490 -4.580
51 1HZ LYS 18 HZ3 LYS 18 2.560 -10.670 -11.010
52 2HZ LYS 18 HZ1 LYS 18 2.590 -9.220 -11.760
53 3HZ LYS 18 HZ2 LYS 18 3.930 -10.170 -11.770
54 H ASN 19 H ASN 19 -0.430 -6.940 -6.670
55 1HD2 ASN 19 HD2 ASN 19 -2.410 -6.880 -10.090
56 2HD2 ASN 19 HD2 ASN 19 -1.480 -5.500 -9.570
57 H CYS 20 H CYS 20 -0.910 -4.750 -4.580
58 H ALA 21 H ALA 21 1.630 -3.890 -3.970
59 H GLN 22 H GLU 22 2.440 -3.210 -6.540
60 H VAL 23 H VAL 23 0.670 -0.860 -7.300
61 H CYS 24 H CYS 24 1.430 0.830 -5.170
62 H GLN 25 H GLU 25 4.230 1.200 -6.140
63 H GLN 26 H GLU 26 4.100 2.890 -8.440
64 H GLU 27 H GLN 27 2.620 4.840 -7.070
65 H GLY 28 H GLY 28 4.680 5.970 -5.270
66 CH2 TRP 29 CH2 TRP 29 2.420 6.320 2.840
67 H TRP 29 H TRP 29 5.440 5.000 -3.710
68 HE1 TRP 29 HE1 TRP 29 1.220 6.720 -1.210
69 H GLY 30 H GLY 30 7.730 3.210 -0.420
70 H GLY 31 H GLY 31 6.700 1.180 -2.500
71 H GLY 32 H GLY 32 4.940 -2.790 -1.410
72 H ASN 33 H ASN 33 1.640 -2.820 1.500
73 1HD2 ASN 33 HD2 ASN 33 1.740 -3.500 5.230
74 2HD2 ASN 33 HD2 ASN 33 2.950 -3.990 4.090
75 H CYS 34 H CYS 34 -0.640 -6.490 0.290
76 H ASP 35 H ASP 35 -3.280 -4.670 2.950
77 H GLY 36 H GLY 36 -3.350 -8.620 4.360
78 H PHE 38 H PHE 38 -9.500 -8.550 1.330
79 NH1 ARG 39 NH1 ARG 39 -12.400 -8.480 0.320
80 NH2 ARG 39 NH2 ARG 39 -12.350 -8.140 2.560
81 H ARG 39 H ARG 39 -9.040 -5.580 1.660
82 HE ARG 39 HE ARG 39 -12.430 -5.740 1.980
83 1HH1 ARG 39 HH1 ARG 39 -12.580 -8.110 -0.590
84 2HH1 ARG 39 HH1 ARG 39 -12.400 -9.460 0.470
85 1HH2 ARG 39 HH2 ARG 39 -12.410 -7.540 3.360
86 2HH2 ARG 39 HH2 ARG 39 -12.370 -9.130 2.680
87 NH1 ARG 40 NH1 ARG 40 -10.340 -4.040 6.420
88 NH2 ARG 40 NH2 ARG 40 -11.230 -2.050 7.100
89 H ARG 40 H ARG 40 -7.220 -4.270 1.930
90 HE ARG 40 HE ARG 40 -9.010 -1.120 6.530
91 1HH1 ARG 40 HH1 ARG 40 -9.560 -4.540 6.050
92 2HH1 ARG 40 HH1 ARG 40 -11.220 -4.480 6.590
93 1HH2 ARG 40 HH2 ARG 40 -11.170 -1.060 7.160
94 2HH2 ARG 40 HH2 ARG 40 -12.090 -2.520 7.300
95 H CYS 41 H CYS 41 -5.620 -1.050 0.650
96 H LYS 42 H LYS 42 -1.530 -1.930 1.920
97 1HZ LYS 42 HZ2 LYS 42 -3.100 -0.810 8.890
98 2HZ LYS 42 HZ3 LYS 42 -4.730 -0.660 8.880
99 3HZ LYS 42 HZ1 LYS 42 -4.030 -2.110 8.610
100 H CYS 43 H CYS 43 0.590 1.650 2.520
101 H ILE 44 H ILE 44 4.920 1.210 1.080
102 NH1 ARG 45 NH1 ARG 45 10.890 5.400 -0.980
103 NH2 ARG 45 NH2 ARG 45 9.520 6.070 -2.660
104 H ARG 45 H ARG 45 6.700 3.510 4.380
105 HE ARG 45 HE ARG 45 8.070 6.950 -0.850
106 1HH1 ARG 45 HH1 ARG 45 11.080 5.330 0.000
107 2HH1 ARG 45 HH1 ARG 45 11.530 5.050 -1.660
108 1HH2 ARG 45 HH2 ARG 45 8.600 6.300 -2.970
109 2HH2 ARG 45 HH2 ARG 45 10.220 5.810 -3.320
110 H GLN 46 H GLU 46 10.590 5.580 3.800
111 H CYS 47 H CYS 47 10.330 6.220 8.240
No H/Q in entry = 111
Contact the webmaster for help, if required. Wednesday, June 26, 2024 12:50:41 AM GMT (wattos1)