*HEADER    NEUROTOXIN                              20-DEC-94   1OMN    
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: OMEGA-CONOTOXIN M VII C (M SEVEN C);             
*COMPND   3 CHAIN: NULL;                                               
*COMPND   4 SYNONYM: SNX-230                                           
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS MAGUS;                          
*SOURCE   3 ORGANISM_COMMON: MAGUS CONE;                               
*SOURCE   4 ORGAN: VENOM DUCT                                          
*KEYWDS    P-TYPE CALCIUM CHANNEL BLOCKER, CONUS VENOM, PRESYNAPTIC    
*KEYWDS   2 NEUROTOXIN, CONOTOXIN                                      
*EXPDTA    NMR, 15 STRUCTURES                                          
*AUTHOR    S.FARR-JONES,V.J.BASUS                                      
*REVDAT   1   01-DEC-95 1OMN    0                                      


__________________________________________________________________
The following is a list of distance restraints used in the refinement.
The letter Q indicates that a pseudo atom is used since the stereochemical
assignment is not known. The letter M indicates a pseudoatom for a methyl
group.  The position of the pseudoatom is the geometric
center of the two or three hydrogen atoms.

atom1  residue1 atom2 residue2  lower   upper bound
HA	1	HD3	2	2.500	5.000
HD2	2	HA	2	2.785	3.712
HD2	2	HA	2	2.785	3.712
HD2	2	HB1	2	2.093	2.293
HD2	2	HB2	2	2.661	3.522
HD2	2	HN	2	2.980	3.180
HN	2	HA	1	2.433	2.633
HN	2	HB1	1	2.523	2.723
HN	2	HB2	1	2.964	3.242
HA1	3	HN	3	2.537	2.737
HA2	3	HN	3	3.161	3.472
HN	3	HA	2	2.277	2.477
HN	3	HB1	2	2.967	3.167
HN	3	HB2	2	3.000	3.804
HN	3	HD2	2	1.800	5.000
HN	3	HN	2	2.800	5.000
HN	3	HN	4	2.500	5.000
HN	3	HN	6	2.500	5.000
HB1	4	HA	4	2.600	2.800
HB1	4	HN	4	2.733	2.933
HB2	4	HA	4	2.920	3.120
HB2	4	HN	4	2.953	3.153
HD2	4	HN	4	2.500	5.000
HD3	4	HN	4	2.500	5.000
HG2	4	HN	4	2.500	5.000
HG3	4	HN	4	2.500	5.000
HN	4	HA1	3	2.893	3.093
HN	4	HA2	3	1.847	4.047
QD	4	HA	4	3.635	3.835
HA1	5	HN	5	2.885	3.285
HA2	5	HN	5	2.190	2.390
HN	5	HA	4	2.127	2.327
HN	5	HB2	4	3.008	4.465
HN	5	HN	4	2.500	5.000
HN	5	QD	4	4.090	4.290
HN	5	QG	4	3.570	4.770
HN	6	HA	4	3.260	3.460
HN	6	HA1	5	3.300	3.500
HN	6	HA2	5	3.192	4.121
HN	6	HN	5	2.857	3.057
MB	6	HA	6	2.253	3.453
MB	6	HN	3	3.276	4.597
MB	6	HN	5	3.257	4.457
MB	6	HN	6	2.627	3.327
HA	7	HB1	7	2.355	2.555
HA	7	HD3	25	2.500	5.000
HA	7	HG2	7	3.629	3.891
HB1	7	HD1	7	2.715	4.405
HB1	7	HD2	7	3.146	3.398
HB2	7	HD1	7	2.043	4.889
HB2	7	HD2	7	2.644	4.266
HB2	7	HG1	7	2.543	3.027
HD1	7	HA	6	2.118	2.446
HD1	7	MB	6	3.610	4.540
HD2	7	HA	6	2.395	2.595
HD2	7	MB	6	3.107	4.207
HN	8	HA	7	2.227	2.427
HN	8	HB1	7	3.257	3.457
HN	8	HB2	7	3.663	7.943
HN	8	HG1	9	1.800	5.000
HN	8	HG2	9	1.800	5.000
HB2	9	HA	8	2.500	5.000
HB3	9	HA	8	2.500	5.000
HN	9	HA	8	2.263	2.463
HN	9	HB1	8	2.510	2.710
HN	9	HB2	8	3.240	3.880
HN	9	HN	8	3.000	4.555
HA	10	HN	10	3.120	3.320
HD1	10	HA	10	3.289	4.806
HD2	10	HA	10	3.236	4.524
HD2	10	HB2	20	2.500	5.000
HD2	10	HN	10	3.563	3.763
HG2	10	HA	10	2.500	5.000
HG2	10	HN	25	2.500	5.000
HG3	10	HA	10	2.500	5.000
HG3	10	HN	25	2.500	5.000
HN	10	HA	9	2.467	2.667
HA	11	HN	12	1.800	5.000
HB	11	HA	11	2.411	2.819
HB	11	HN	11	3.000	4.822
HN	11	HA	10	2.870	3.070
HN	11	HD1	10	3.557	3.757
HN	11	HN	10	3.297	3.497
HN	11	HN	12	1.800	5.000
HN	11	QB	10	3.440	3.640
MG2	11	HA	10	3.000	5.060
MG2	11	HA	11	2.985	3.329
MG2	11	HN	11	3.398	3.635
MG2	11	QB	10	3.000	4.919
HB1	12	HA	12	2.720	3.340
HB1	12	HN	12	2.863	3.063
HB2	12	HA	12	2.685	2.978
HB2	12	HN	12	3.399	3.701
HG1	12	HA	12	2.923	3.957
HG1	12	HB2	12	2.575	3.350
HG1	12	HN	12	3.889	4.364
HG2	12	HA	12	2.983	3.183
HG2	12	HB1	12	2.516	3.844
HG2	12	HB2	12	2.426	2.881
HG2	12	HN	12	3.400	3.600
HN	12	HA	11	3.403	3.603
HN	12	HN	11	3.077	3.277
HA	13	HN	13	2.563	2.763
HB1	13	HA	13	2.586	3.044
HB1	13	HA	13	2.586	3.044
HB1	13	HA	13	2.586	3.044
HB1	13	HN	13	2.860	3.160
HB2	13	HA	13	1.970	2.270
HB2	13	HN	13	3.407	3.947
HD1	13	HA	11	3.000	5.553
HD1	13	HA	12	3.000	5.407
HD1	13	HA	13	2.455	2.655
HD1	13	HB1	13	2.305	2.505
HD1	13	HN	13	2.500	5.500
HD2	13	HB2	13	2.628	2.828
HD2	13	HN	13	2.500	5.500
HE1	13	HA	11	3.000	5.000
HN	13	HA	11	3.000	4.160
HN	13	HA	12	2.820	3.020
HN	13	HB1	12	3.000	4.832
HN	13	HB2	12	2.917	3.117
HN	13	HN	12	3.153	3.353
HA	14	HB1	8	1.800	5.000
HA	14	HN	14	3.097	3.297
HB1	14	HA	8	2.549	6.898
HB1	14	HB1	8	3.183	3.517
HB2	14	HA	8	3.000	3.900
HB2	14	HB1	8	2.682	2.882
HN	14	HA	13	2.707	2.907
HA	15	HB1	2	2.357	2.557
HA	15	HB2	2	2.993	3.461
HA	15	HB2	26	1.800	5.000
HA	15	HN	15	2.873	3.073
HB2	15	HN	18	2.500	5.000
HN	15	HA	13	1.800	5.000
HN	15	HA	14	3.133	3.333
HN	15	HB1	14	3.000	4.691
HN	15	HB2	14	3.107	3.307
HN	15	HN	14	2.743	2.943
HA	16	HB1	1	2.263	2.463
HA	16	HB2	1	2.787	3.073
HN	16	HA	15	2.247	2.447
HN	16	HA2	3	2.500	5.500
HN	16	HA3	3	2.500	5.500
HN	16	HB1	1	2.863	3.063
HN	16	HB1	15	3.030	3.230
HN	16	HB2	15	3.000	5.220
HN	16	HN	2	3.137	3.337
HA	17	HN	17	2.977	3.177
HB2	17	HN	18	3.093	3.293
HN	17	HA	16	3.417	3.617
HN	17	HB1	15	2.860	3.060
HN	17	HB1	16	2.793	2.993
HN	17	HB2	15	3.350	3.644
HN	17	HB2	16	3.236	3.497
HN	17	HN	16	3.033	3.233
HA1	18	HN	18	2.903	3.103
HA2	18	HN	18	2.423	2.623
HN	18	HA	17	2.617	2.817
HN	18	HB2	15	3.847	4.047
HN	18	HN	17	3.000	3.707
HA	19	HB2	15	3.070	3.270
HA	19	HN	19	3.120	3.320
HN	19	HA1	18	2.570	2.770
HN	19	HA2	18	2.717	2.917
HN	19	HB2	15	3.000	5.000
HA	20	HA	26	1.800	5.000
HB1	20	HA	10	2.599	2.804
HB1	20	HA	10	3.151	3.532
HB1	20	HB1	8	2.423	2.724
HB2	20	HB1	8	3.612	4.508
HN	20	HA	19	2.417	2.617
HN	20	HB1	19	3.110	3.310
HN	20	HB2	19	3.476	3.737
HA1	21	HN	21	3.107	3.559
HA2	21	HN	21	2.097	2.297
HN	21	HA	19	2.000	5.000
HN	21	HA	20	2.120	2.320
HN	21	HA	26	2.500	5.000
HN	21	HB1	20	2.500	4.820
HN	21	HN	20	2.500	5.000
HN	21	QN1	26	2.500	5.500
HB2	22	HN	23	2.500	5.000
HB3	22	HN	23	2.500	5.000
HN	22	HA1	21	3.147	3.347
HN	22	HA2	21	3.000	4.230
HN	22	HG2	22	2.500	5.000
HN	22	HG3	22	2.500	5.000
HN	22	HN	23	2.500	5.000
HB1	23	HA	23	2.773	2.973
HG2	23	HB1	23	2.227	3.886
HN	23	HG2	23	1.800	5.000
HA1	24	HN	24	2.243	2.443
HA2	24	HN	24	2.993	4.734
HN	24	HA	23	3.333	3.533
HN	24	HB1	23	1.800	5.000
HN	24	HB2	23	1.800	5.000
HN	24	HN	23	2.863	3.063
HA	25	HA	7	1.800	5.000
HA	25	HN	8	2.827	3.027
HB1	25	HA1	5	2.797	3.103
HB1	25	HA2	5	2.511	2.732
HB2	25	HA1	5	3.410	4.363
HB2	25	HA2	5	2.960	3.160
HB2	25	HN	5	2.500	5.000
HD1	25	HA	25	2.200	4.427
HD2	25	HA	25	2.180	5.000
HD2	25	HA2	5	2.713	4.913
HN	25	HA1	24	2.910	3.110
HN	25	HA2	24	3.200	4.800
HN	25	HN	24	2.643	2.843
QG	25	HA	7	3.653	3.853
HA	26	HNE	23	2.500	5.000
HB1	26	HA	4	2.478	2.678
HB1	26	HN	5	2.811	3.729
HB1	26	HN	6	2.543	2.743
HB1	26	MB	6	3.322	4.322
HB2	26	HA	4	2.788	2.988
HB2	26	HN	5	3.091	3.296
HB2	26	HN	6	3.437	4.189
HN	26	HA	25	2.273	2.473
HN	26	HA2	5	4.290	4.890
HN	26	HB1	25	2.870	3.070
HN	26	HB1	8	3.000	4.940
HN	26	HB2	25	3.080	3.280
HN	26	HB2	8	3.053	3.253
HN	26	HD1	25	2.005	5.901
HN	26	HD2	25	2.005	5.901
HN	26	HG1	25	2.005	5.901
HN	26	HG2	25	2.005	5.901
HN	26	HN	25	2.005	5.901
HN	26	HN	6	3.360	3.560
HN	26	HN	8	3.763	3.963
HN	26	QG	25	3.505	5.601
QN1	26	HA	20	3.500	5.500
QN1	26	HA	20	3.500	5.500
QN1	26	HA	20	3.500	5.500
QN1	26	HA	26	1.800	3.500
QN1	26	HB2	26	2.000	5.000
QN1	26	HN	25	3.500	6.500

These restraints are the "non-noe" restraints as
described in the manuscript.

HA 	1	HB1	16	3.500	30.000
HA 	1	HB2	16	3.500	30.000
HB1	1	HB1	16	3.500	30.000
HB1	2	HB1	13	3.500	30.000
HB1	2	HB1	16	3.500	30.000
HB1	2	HB1	20	3.500	30.000
HB1	2	HB2	14	3.500	30.000
HB1	2	HB2	14	3.500	30.000
HB1	2	HB2	16	3.500	30.000
HB2	2	HB1	13	3.500	30.000
HB2	2	HB1	16	3.500	30.000
HB2	2	HB1	16	3.500	30.000
HB2	2	HB1	20	3.500	30.000
HB2	2	HB2	14	3.500	30.000
HD1	2	HB1	16	3.500	30.000
HD1	2	HB1	16	3.500	30.000
HD1	2	HB2	1	3.500	30.000
HD1	2	HB2	16	3.500	30.000
HD2	2	HA	4	3.500	30.000
HD2	2	HB1	1	3.500	30.000
HD2	2	HB1	13	3.500	30.000
HD2	2	HB1	16	3.500	30.000
HD2	2	HB1	16	3.500	30.000
HD2	2	HB1	26	3.500	30.000
HD2	2	HB2	14	3.500	30.000
HD2	2	HB2	26	3.500	30.000
HE1	2	HB1	17	3.500	30.000
HE1	2	HB1	4	3.500	30.000
HE1	2	HB2	17	3.500	30.000
HE1	2	HG1	4	3.500	30.000
HE1	2	HG2	4	3.500	30.000
HE2	2	HB1	17	3.500	30.000
HE2	2	HB1	4	3.500	30.000
HE2	2	HB2	17	3.500	30.000
HE2	2	HG1	4	3.500	30.000
HE2	2	HG2	4	3.500	30.000
HG1	2	HG1	7	3.500	30.000
HG2	2	HG1	7	3.500	30.000
HA2	3	HA	6	3.500	30.000
HA2	3	HA	6	3.500	30.000
HA2	3	HN	6	3.500	30.000
HA2	3	MB	6	3.500	30.000
HA2	3	MB2	6	3.500	30.000
MB	6	HB1	8	3.500	30.000
MB	6	HB2	8	3.500	30.000
HB2	7	HB2	16	3.500	30.000
HN	8	HN	10	3.500	30.000
HA	9	MG2	11	3.500	30.000
HN	9	HB1	12	3.500	30.000
HN	9	HN	10	3.500	30.000
HN	9	HN	11	3.500	30.000
HN	9	MG2	11	3.500	30.000
HA	10	HB3	8	3.500	30.000
HA	10	HN	13	3.500	30.000
HB1	10	HB1	19	3.500	30.000
HB1	10	HB2	19	3.500	30.000
HB2	10	HB1	19	3.500	30.000
HB2	10	HB2	19	3.500	30.000
HN	10	HB1	13	3.500	30.000
HN	10	HB2	13	3.500	30.000
HN	10	HE1	10	3.500	30.000
HN	10	HE2	10	3.500	30.000
HN	10	HG1	12	3.500	30.000
HN	10	HG2	12	3.500	30.000
HA	11	HB1	20	3.500	30.000
HA	11	HB2	20	3.500	30.000
HA	11	HD1	10	3.500	30.000
HN	11	HA	12	3.500	30.000
HN	11	HA	13	3.500	30.000
HN	11	HB1	12	3.500	30.000
HN	11	HB1	13	3.500	30.000
HN	11	HB2	12	3.500	30.000
HN	11	HB2	13	3.500	30.000
HN	11	HD1	13	3.500	30.000
HN	11	HD2	13	3.500	30.000
HN	11	HE1	10	3.500	30.000
HN	11	HE1	13	3.500	30.000
HN	11	HE2	10	3.500	30.000
HN	11	HE2	13	3.500	30.000
HN	11	HG1	12	3.500	30.000
HN	11	HG2	12	3.500	30.000
HN	11	HN	13	3.500	30.000
HB1	12	HA	11	3.500	30.000
HB1	12	HA1	18	3.500	30.000
HB1	12	HA1	3	3.500	30.000
HB1	12	HA2	18	3.500	30.000
HB1	12	HB1	17	3.500	30.000
HB1	12	HB2	16	3.500	30.000
HB2	12	HA	11	3.500	30.000
HB2	12	HA1	18	3.500	30.000
HB2	12	HA1	3	3.500	30.000
HB2	12	HA2	18	3.500	30.000
HB2	12	HB1	17	3.500	30.000
HD1	13	HN	15	3.500	30.000
HB1	14	HB1	10	3.500	30.000
HB1	14	HB2	10	3.500	30.000
HN	14	HB1	12	3.500	30.000
HN	14	HB1	8	3.500	30.000
HN	14	HB2	12	3.500	30.000
HN	14	HB2	8	3.500	30.000
HB1	15	HA2	18	3.500	30.000
HB1	15	HB1	19	3.500	30.000
HB1	15	HB1	2	3.500	30.000
HB1	15	HB2	2	3.500	30.000
HB1	15	HD1	2	3.500	30.000
HB1	15	HD2	2	3.500	30.000
HB1	15	HG1	2	3.500	30.000
HB1	15	HG2	2	3.500	30.000
HB2	15	HA2	18	3.500	30.000
HB2	15	HB1	2	3.500	30.000
HB2	15	HB2	2	3.500	30.000
HB2	15	HD1	2	3.500	30.000
HB2	15	HD2	2	3.500	30.000
HB2	15	HG1	2	3.500	30.000
HB2	15	HG2	2	3.500	30.000
HN	15	HB1	19	3.500	30.000
HN	15	HD2	13	3.500	30.000
HN	15	HE2	13	3.500	30.000
HB1	17	HB1	10	3.500	30.000
HB1	17	HB1	4	3.500	30.000
HB1	17	HB2	10	3.500	30.000
HB1	17	HB2	4	3.500	30.000
HB1	17	HD1	4	3.500	30.000
HB1	17	HE1	10	3.500	30.000
HB1	17	HE1	13	3.500	30.000
HB1	17	HE2	10	3.500	30.000
HB1	17	HE2	13	3.500	30.000
HB1	17	HG1	10	3.500	30.000
HB1	17	HG1	2	3.500	30.000
HB1	17	HG2	10	3.500	30.000
HB1	17	HG2	2	3.500	30.000
HB2	17	HB1	10	3.500	30.000
HB2	17	HB1	4	3.500	30.000
HB2	17	HB2	10	3.500	30.000
HB2	17	HB2	4	3.500	30.000
HB2	17	HD1	13	3.500	30.000
HB2	17	HD1	4	3.500	30.000
HB2	17	HD2	13	3.500	30.000
HB2	17	HE1	10	3.500	30.000
HB2	17	HE2	10	3.500	30.000
HB2	17	HG1	10	3.500	30.000
HB2	17	HG1	2	3.500	30.000
HB2	17	HG2	10	3.500	30.000
HB2	17	HG2	2	3.500	30.000
HN	17	HB1	19	3.500	30.000
HN	17	HB2	19	3.500	30.000
HA1	18	HB1	13	3.500	30.000
HA1	18	HB1	14	3.500	30.000
HA1	18	HB1	16	3.500	30.000
HA1	18	HB2	13	3.500	30.000
HA1	18	HB2	14	3.500	30.000
HA1	18	HB2	16	3.500	30.000
HA1	18	HB2	17	3.500	30.000
HA2	18	HB1	13	3.500	30.000
HA2	18	HB1	14	3.500	30.000
HA2	18	HB2	13	3.500	30.000
HA2	18	HB2	14	3.500	30.000
HN	18	HN	15	3.500	30.000
HN	18	HN	20	3.500	30.000
HN	18	HN	9	3.500	30.000
HA	19	HB1	10	3.500	30.000
HA	19	HB1	14	3.500	30.000
HA	19	HB2	10	3.500	30.000
HA	19	HB2	2	3.500	30.000
HA	19	HD1	10	3.500	30.000
HA	19	HD1	25	3.500	30.000
HA	19	HG1	9	3.500	30.000
HA	19	HG2	9	3.500	30.000
HB1	19	HE1	13	3.500	30.000
HB1	19	HE2	13	3.500	30.000
HB2	19	HD1	13	3.500	30.000
HB2	19	HD2	13	3.500	30.000
HN	19	HD2	13	3.500	30.000
HN	19	HE2	13	3.500	30.000
HB2	20	HD1	13	3.500	30.000
HB2	20	HE1	13	3.500	30.000
HN	20	HA	13	3.500	30.000
HN	20	HN	15	3.500	30.000
HA1	21	HA	19	3.500	30.000
HA2	21	HA	19	3.500	30.000
HB1	22	HB2	16	3.500	30.000
HB2	22	HB2	16	3.500	30.000
HB1	23	HN	25	3.500	30.000
HA	25	HA	20	3.500	30.000
HA	26	HN	25	3.500	30.000
HB1	26	HA1	5	3.500	30.000
HB1	26	HA1	5	3.500	30.000
HB2	26	HA2	5	3.500	30.000
HB2	26	HA2	5	3.500	30.000
HN	26	HB1	26	3.500	30.000
QN1	26	HA	19	3.500	30.000
QN1	26	HA	19	3.500	30.000

------------------------------------------------------------------
Angle constraints:

PHI ANGLE CONSTRAINTS:

The following residues had PHI constrained to -60 deg. +/- 50 degrees

Residue   HA-HN Coupling Constant (Hz)

CYS 16		4.2
ARG 22		3.9
CYS 26		4.0

The following residues had PHI constrained to -120 deg. +/- 50 deg.

LYS  2          8.0
CYS  8          9.3
ARG  9          8.4
THR 11          9.1
MET 12         10.2
SER 19          8.6
ARG 23          8.8
LYS 25          9.9

CHI-1 ANGLE CONSTRAINTS:

Where CHI-1 angles were determined, they were constrained into one
rotamer, with an allowed variation of +/- 30 deg. 
For a definition of nomenclature for rotamer
description, see Methods in Enzymology, Vol. 177 (1989), Pg. 145.

Residue   Rotamer

CYS 1	   g2g3
LYS 2	   g2t3
CYS 8	   g2g3
MET 12	   t2g3
CYS 15	   t2g3
CYS 16	   g2t3
SER 17	   g2g3
SER 19	   g2g3
CYS 20	   g2t3
ARG 25	   t2g3
CYS 26	   g2t3
----------------------------------------------------

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  192 H/Q atoms
  Start of MODEL    1
    1   1H    CYS   1           HN2      CYS   1   9.412  -1.288  10.148
    2   2H    CYS   1           HN1      CYS   1   8.656  -2.703  10.540
    3   3H    CYS   1           HN3      CYS   1   8.640  -2.071   8.997
    4    HA   CYS   1           HA       CYS   1   7.290  -0.270   9.629
    5   1HB   CYS   1           HB2      CYS   1   5.257  -1.523  10.721
    6   2HB   CYS   1           HB3      CYS   1   5.829  -1.965   9.211
    7    H    LYS   2           HN       LYS   2   5.881   0.608  11.412
    8    HA   LYS   2           HA       LYS   2   7.560   2.010  13.091
    9   1HB   LYS   2           HB2      LYS   2   4.924   2.137  12.301
   10   2HB   LYS   2           HB3      LYS   2   4.654   1.471  13.832
   11   1HG   LYS   2           HG2      LYS   2   4.335   3.895  13.545
   12   2HG   LYS   2           HG3      LYS   2   5.394   3.579  14.891
   13   1HD   LYS   2           HD2      LYS   2   7.321   4.298  13.652
   14   2HD   LYS   2           HD3      LYS   2   6.521   4.069  12.086
   15   1HE   LYS   2           HE2      LYS   2   5.508   6.074  14.156
   16   2HE   LYS   2           HE3      LYS   2   6.764   6.499  12.990
   17   1HZ   LYS   2          HNZ3      LYS   2   4.137   5.446  12.092
   18   2HZ   LYS   2          HNZ1      LYS   2   4.466   7.039  12.388
   19   3HZ   LYS   2          HNZ2      LYS   2   5.327   6.192  11.245
   20    H    GLY   3           HN       GLY   3   6.650   2.331  15.396
   21   1HA   GLY   3           HA2      GLY   3   5.202   0.175  16.333
   22   2HA   GLY   3           HA3      GLY   3   6.623  -0.049  17.253
   23    H    LYS   4           HN       LYS   4   5.125   0.419  19.170
   24    HA   LYS   4           HA       LYS   4   3.003   1.856  18.661
   25   1HB   LYS   4           HB2      LYS   4   4.043   1.205  21.508
   26   2HB   LYS   4           HB3      LYS   4   2.389   1.180  20.988
   27   1HG   LYS   4           HG2      LYS   4   4.500  -0.892  20.445
   28   2HG   LYS   4           HG3      LYS   4   2.968  -1.052  21.271
   29   1HD   LYS   4           HD2      LYS   4   3.291  -0.584  18.270
   30   2HD   LYS   4           HD3      LYS   4   2.948  -2.122  19.046
   31   1HE   LYS   4           HE2      LYS   4   0.785  -1.297  19.868
   32   2HE   LYS   4           HE3      LYS   4   1.114   0.320  19.231
   33   1HZ   LYS   4          HNZ2      LYS   4   0.941  -2.072  17.528
   34   2HZ   LYS   4          HNZ3      LYS   4  -0.287  -0.972  17.816
   35   3HZ   LYS   4          HNZ1      LYS   4   1.108  -0.530  17.050
   36    H    GLY   5           HN       GLY   5   1.823   3.352  19.572
   37   1HA   GLY   5           HA2      GLY   5   1.210   5.395  19.671
   38   2HA   GLY   5           HA3      GLY   5   1.970   5.507  21.207
   39    H    ALA   6           HN       ALA   6   4.050   5.099  18.393
   40    HA   ALA   6           HA       ALA   6   5.174   7.713  18.440
   41   1HB   ALA   6           HB3      ALA   6   6.277   5.647  17.673
   42   2HB   ALA   6           HB1      ALA   6   5.075   5.479  16.382
   43   3HB   ALA   6           HB2      ALA   6   6.223   6.847  16.354
   44    HA   PRO   7           HA       PRO   7   2.271   9.984  15.805
   45   1HB   PRO   7           HB2      PRO   7   4.814  10.627  14.266
   46   2HB   PRO   7           HB3      PRO   7   3.469  11.726  14.685
   47   1HG   PRO   7           HG3      PRO   7   5.738  11.740  16.165
   48   2HG   PRO   7           HG2      PRO   7   4.151  11.765  16.987
   49   1HD   PRO   7           HD3      PRO   7   6.001   9.393  16.598
   50   2HD   PRO   7           HD2      PRO   7   5.041   9.889  18.020
   51    H    CYS   8           HN       CYS   8   1.023   9.087  14.160
   52    HA   CYS   8           HA       CYS   8   2.225   7.379  12.039
   53   1HB   CYS   8           HB2      CYS   8   0.627   5.649  12.618
   54   2HB   CYS   8           HB3      CYS   8   1.606   6.009  14.011
   55    H    ARG   9           HN       ARG   9   0.876   6.917  10.353
   56    HA   ARG   9           HA       ARG   9  -0.355   9.487   9.593
   57   1HB   ARG   9           HB2      ARG   9   0.984   7.288   7.993
   58   2HB   ARG   9           HB3      ARG   9   0.553   8.937   7.509
   59   1HG   ARG   9           HG2      ARG   9   2.115   9.841   9.257
   60   2HG   ARG   9           HG3      ARG   9   2.642   8.200   9.577
   61   1HD   ARG   9           HD2      ARG   9   3.085   7.906   7.065
   62   2HD   ARG   9           HD3      ARG   9   2.850   9.646   6.911
   63    HE   ARG   9           HNE      ARG   9   4.914  10.021   7.846
   64   1HH1  ARG   9          HN12      ARG   9   4.018   6.630   8.768
   65   2HH1  ARG   9          HN11      ARG   9   5.690   6.182   8.882
   66   1HH2  ARG   9          HN21      ARG   9   7.092   9.327   8.274
   67   2HH2  ARG   9          HN22      ARG   9   7.334   7.714   8.890
   68    H    LYS  10           HN       LYS  10  -2.501   8.831  10.377
   69    HA   LYS  10           HA       LYS  10  -3.647   6.271  10.601
   70   1HB   LYS  10           HB2      LYS  10  -4.811   9.006  10.214
   71   2HB   LYS  10           HB3      LYS  10  -5.860   7.634   9.848
   72   1HG   LYS  10           HG2      LYS  10  -5.449   6.678  12.030
   73   2HG   LYS  10           HG3      LYS  10  -4.529   8.100  12.584
   74   1HD   LYS  10           HD2      LYS  10  -6.505   9.543  11.969
   75   2HD   LYS  10           HD3      LYS  10  -7.401   8.075  11.534
   76   1HE   LYS  10           HE2      LYS  10  -6.302   8.739  14.305
   77   2HE   LYS  10           HE3      LYS  10  -7.993   8.858  13.806
   78   1HZ   LYS  10          HNZ2      LYS  10  -6.451   6.324  13.831
   79   2HZ   LYS  10          HNZ3      LYS  10  -7.480   6.788  14.973
   80   3HZ   LYS  10          HNZ1      LYS  10  -8.052   6.496  13.489
   81    H    THR  11           HN       THR  11  -4.502   7.925   7.827
   82    HA   THR  11           HA       THR  11  -5.731   5.663   6.659
   83    HB   THR  11           HB       THR  11  -5.458   7.035   4.446
   84    HG1  THR  11           HOG      THR  11  -3.752   8.349   5.181
   85   1HG2  THR  11           HG3      THR  11  -6.846   8.198   6.906
   86   2HG2  THR  11           HG1      THR  11  -7.196   8.615   5.217
   87   3HG2  THR  11           HG2      THR  11  -7.521   6.975   5.806
   88    H    MET  12           HN       MET  12  -2.249   6.402   6.518
   89    HA   MET  12           HA       MET  12  -2.014   4.642   4.173
   90   1HB   MET  12           HB2      MET  12   0.342   5.973   5.715
   91   2HB   MET  12           HB3      MET  12   0.423   5.292   4.142
   92   1HG   MET  12           HG2      MET  12   0.474   7.728   3.951
   93   2HG   MET  12           HG3      MET  12  -1.068   7.228   3.292
   94   1HE   MET  12           HE3      MET  12  -1.908   9.678   3.314
   95   2HE   MET  12           HE1      MET  12  -1.740  10.770   4.708
   96   3HE   MET  12           HE2      MET  12  -0.289  10.182   3.863
   97    H    TYR  13           HN       TYR  13  -2.821   3.377   6.697
   98    HA   TYR  13           HA       TYR  13  -2.383   1.247   7.768
   99   1HB   TYR  13           HB2      TYR  13  -1.644   0.944   5.021
  100   2HB   TYR  13           HB3      TYR  13  -1.071  -0.202   6.252
  101    HD1  TYR  13           HD1      TYR  13  -4.062   1.704   5.525
  102    HD2  TYR  13           HD2      TYR  13  -2.608  -2.148   6.678
  103    HE1  TYR  13           HE1      TYR  13  -6.427   0.828   5.545
  104    HE2  TYR  13           HE2      TYR  13  -4.881  -3.021   6.718
  105    HH   TYR  13           HOH      TYR  13  -7.122  -2.579   6.400
  106    H    ASP  14           HN       ASP  14  -0.906   3.060   9.028
  107    HA   ASP  14           HA       ASP  14   1.957   3.034   8.441
  108   1HB   ASP  14           HB2      ASP  14   0.632   4.963   9.150
  109   2HB   ASP  14           HB3      ASP  14   0.345   4.167  10.681
  110    H    CYS  15           HN       CYS  15   0.144   1.102  10.668
  111    HA   CYS  15           HA       CYS  15   2.496   0.942  12.345
  112   1HB   CYS  15           HB2      CYS  15  -0.067  -0.330  13.056
  113   2HB   CYS  15           HB3      CYS  15   0.933   0.188  14.260
  114    H    CYS  16           HN       CYS  16   3.431  -0.861  13.218
  115    HA   CYS  16           HA       CYS  16   3.795  -3.011  11.394
  116   1HB   CYS  16           HB2      CYS  16   4.848  -2.007  14.027
  117   2HB   CYS  16           HB3      CYS  16   4.656  -3.605  14.135
  118    H    SER  17           HN       SER  17   1.697  -2.802  14.101
  119    HA   SER  17           HA       SER  17   1.064  -5.713  14.286
  120   1HB   SER  17           HB2      SER  17   0.932  -5.461  16.678
  121   2HB   SER  17           HB3      SER  17   2.564  -5.186  16.056
  122    HG   SER  17           HOG      SER  17   2.276  -2.986  16.256
  123    H    GLY  18           HN       GLY  18  -0.144  -3.420  16.135
  124   1HA   GLY  18           HA2      GLY  18  -3.034  -3.608  15.446
  125   2HA   GLY  18           HA3      GLY  18  -2.285  -2.535  16.629
  126    H    SER  19           HN       SER  19  -3.500  -0.658  15.607
  127    HA   SER  19           HA       SER  19  -2.248   0.281  13.056
  128   1HB   SER  19           HB2      SER  19  -4.939   0.592  12.441
  129   2HB   SER  19           HB3      SER  19  -4.030  -0.891  12.131
  130    HG   SER  19           HOG      SER  19  -5.668  -0.363  14.402
  131    H    CYS  20           HN       CYS  20  -2.720   2.576  12.603
  132    HA   CYS  20           HA       CYS  20  -2.341   4.267  14.780
  133   1HB   CYS  20           HB2      CYS  20  -1.833   4.536  12.258
  134   2HB   CYS  20           HB3      CYS  20  -3.543   4.881  12.086
  135    H    GLY  21           HN       GLY  21  -4.017   3.474  16.194
  136   1HA   GLY  21           HA2      GLY  21  -6.807   3.466  15.388
  137   2HA   GLY  21           HA3      GLY  21  -6.049   3.046  16.963
  138    H    ARG  22           HN       ARG  22  -8.326   4.378  17.895
  139    HA   ARG  22           HA       ARG  22  -9.143   6.696  16.894
  140   1HB   ARG  22           HB2      ARG  22  -9.151   5.705  19.777
  141   2HB   ARG  22           HB3      ARG  22 -10.005   7.141  19.223
  142   1HG   ARG  22           HG2      ARG  22 -11.592   5.457  19.336
  143   2HG   ARG  22           HG3      ARG  22 -11.342   5.782  17.625
  144   1HD   ARG  22           HD2      ARG  22  -9.952   3.479  19.064
  145   2HD   ARG  22           HD3      ARG  22 -11.619   3.336  18.484
  146    HE   ARG  22           HNE      ARG  22 -10.374   4.248  16.245
  147   1HH1  ARG  22          HN12      ARG  22  -9.723   1.450  18.353
  148   2HH1  ARG  22          HN11      ARG  22  -8.709   0.697  17.140
  149   1HH2  ARG  22          HN21      ARG  22  -9.321   3.071  14.642
  150   2HH2  ARG  22          HN22      ARG  22  -8.551   1.546  15.039
  151    H    ARG  23           HN       ARG  23  -6.582   6.360  19.336
  152    HA   ARG  23           HA       ARG  23  -6.437   9.118  19.942
  153   1HB   ARG  23           HB2      ARG  23  -4.628   8.607  21.298
  154   2HB   ARG  23           HB3      ARG  23  -5.715   7.228  21.408
  155   1HG   ARG  23           HG2      ARG  23  -3.126   7.382  19.785
  156   2HG   ARG  23           HG3      ARG  23  -3.336   6.658  21.369
  157   1HD   ARG  23           HD2      ARG  23  -4.911   4.971  20.352
  158   2HD   ARG  23           HD3      ARG  23  -4.441   5.600  18.740
  159    HE   ARG  23           HNE      ARG  23  -2.059   5.218  20.060
  160   1HH1  ARG  23          HN21      ARG  23  -4.453   2.920  18.799
  161   2HH1  ARG  23          HN22      ARG  23  -3.406   1.563  19.150
  162   1HH2  ARG  23          HN12      ARG  23  -0.967   3.487  20.812
  163   2HH2  ARG  23          HN11      ARG  23  -1.369   1.886  20.180
  164    H    GLY  24           HN       GLY  24  -5.369   7.668  17.039
  165   1HA   GLY  24           HA2      GLY  24  -4.176   8.654  15.267
  166   2HA   GLY  24           HA3      GLY  24  -4.221  10.189  16.142
  167    H    LYS  25           HN       LYS  25  -2.774   7.156  17.255
  168    HA   LYS  25           HA       LYS  25  -0.098   8.003  16.753
  169   1HB   LYS  25           HB2      LYS  25  -0.338   7.219  19.606
  170   2HB   LYS  25           HB3      LYS  25   0.869   8.213  18.837
  171   1HG   LYS  25           HG2      LYS  25  -0.812  10.021  18.478
  172   2HG   LYS  25           HG3      LYS  25  -1.674   9.302  19.843
  173   1HD   LYS  25           HD2      LYS  25   1.341  10.031  19.781
  174   2HD   LYS  25           HD3      LYS  25   0.083  11.119  20.226
  175   1HE   LYS  25           HE2      LYS  25   1.137  10.156  22.229
  176   2HE   LYS  25           HE3      LYS  25  -0.557   9.641  22.158
  177   1HZ   LYS  25          HNZ1      LYS  25   1.695   7.980  21.188
  178   2HZ   LYS  25          HNZ2      LYS  25   1.027   7.834  22.697
  179   3HZ   LYS  25          HNZ3      LYS  25   0.130   7.526  21.402
  180    H    CYS  26           HN       CYS  26   1.154   6.182  16.981
  181    HA   CYS  26           HA       CYS  26  -0.112   4.272  15.486
  182   1HB   CYS  26           HB2      CYS  26   2.898   3.678  16.460
  183   2HB   CYS  26           HB3      CYS  26   1.821   2.577  16.345
  184   1H    NH2  27          HN11      CYS  26  -1.513   1.722  17.510
  185   2H    NH2  27          HN12      CYS  26  -1.591   2.590  16.009
   
  No H/Q in entry =         185
  Start of MODEL           2
 Raw file had  192 H/Q atoms
  Start of MODEL    2
    1   1H    CYS   1           HN3      CYS   1  10.535  -1.640  10.220
    2   2H    CYS   1           HN2      CYS   1  10.266  -3.126  10.869
    3   3H    CYS   1           HN1      CYS   1   9.750  -2.847   9.403
    4    HA   CYS   1           HA       CYS   1   8.123  -1.206  10.176
    5   1HB   CYS   1           HB2      CYS   1   6.506  -2.406  11.050
    6   2HB   CYS   1           HB3      CYS   1   7.413  -3.531  10.132
    7    H    LYS   2           HN       LYS   2   7.552  -1.817  13.016
    8    HA   LYS   2           HA       LYS   2   8.431   0.808  14.070
    9   1HB   LYS   2           HB3      LYS   2   6.470   0.567  12.063
   10   2HB   LYS   2           HB2      LYS   2   5.505   0.238  13.449
   11   1HG   LYS   2           HG3      LYS   2   5.325   2.567  12.999
   12   2HG   LYS   2           HG2      LYS   2   6.321   2.524  14.432
   13   1HD   LYS   2           HD2      LYS   2   8.326   2.861  13.275
   14   2HD   LYS   2           HD3      LYS   2   7.741   2.207  11.762
   15   1HE   LYS   2           HE2      LYS   2   6.670   4.828  12.904
   16   2HE   LYS   2           HE3      LYS   2   8.021   4.761  11.759
   17   1HZ   LYS   2          HNZ2      LYS   2   5.392   3.555  11.153
   18   2HZ   LYS   2          HNZ3      LYS   2   5.691   5.088  10.824
   19   3HZ   LYS   2          HNZ1      LYS   2   6.566   3.947  10.078
   20    H    GLY   3           HN       GLY   3   6.721   1.356  15.849
   21   1HA   GLY   3           HA2      GLY   3   4.832  -0.550  16.470
   22   2HA   GLY   3           HA3      GLY   3   5.981  -0.821  17.756
   23    H    LYS   4           HN       LYS   4   4.691   0.111  19.461
   24    HA   LYS   4           HA       LYS   4   2.690   1.683  18.821
   25   1HB   LYS   4           HB2      LYS   4   3.844   1.116  21.659
   26   2HB   LYS   4           HB3      LYS   4   2.353   1.831  21.338
   27   1HG   LYS   4           HG2      LYS   4   2.940  -0.885  20.222
   28   2HG   LYS   4           HG3      LYS   4   2.222  -0.626  21.805
   29   1HD   LYS   4           HD2      LYS   4   0.911   0.461  19.253
   30   2HD   LYS   4           HD3      LYS   4   0.684  -1.168  19.847
   31   1HE   LYS   4           HE2      LYS   4  -1.185   0.023  20.599
   32   2HE   LYS   4           HE3      LYS   4  -0.189  -0.278  22.026
   33   1HZ   LYS   4          HNZ1      LYS   4  -0.376   2.294  20.544
   34   2HZ   LYS   4          HNZ2      LYS   4  -1.139   1.938  21.902
   35   3HZ   LYS   4          HNZ3      LYS   4   0.485   2.047  21.933
   36    H    GLY   5           HN       GLY   5   1.757   3.454  19.797
   37   1HA   GLY   5           HA2      GLY   5   1.353   5.533  19.428
   38   2HA   GLY   5           HA3      GLY   5   2.420   5.901  20.715
   39    H    ALA   6           HN       ALA   6   3.741   4.493  17.673
   40    HA   ALA   6           HA       ALA   6   5.296   6.656  16.943
   41   1HB   ALA   6           HB2      ALA   6   3.900   4.483  15.336
   42   2HB   ALA   6           HB3      ALA   6   5.219   5.511  14.707
   43   3HB   ALA   6           HB1      ALA   6   5.513   4.408  16.077
   44    HA   PRO   7           HA       PRO   7   2.169   9.618  15.805
   45   1HB   PRO   7           HB2      PRO   7   3.526  11.333  14.159
   46   2HB   PRO   7           HB3      PRO   7   3.690  11.265  15.936
   47   1HG   PRO   7           HG2      PRO   7   5.482  10.006  13.859
   48   2HG   PRO   7           HG3      PRO   7   5.912  10.897  15.356
   49   1HD   PRO   7           HD3      PRO   7   5.911   8.166  15.207
   50   2HD   PRO   7           HD2      PRO   7   5.481   9.038  16.714
   51    H    CYS   8           HN       CYS   8   0.489   9.234  14.362
   52    HA   CYS   8           HA       CYS   8   1.174   7.669  11.913
   53   1HB   CYS   8           HB2      CYS   8  -0.545   6.207  12.543
   54   2HB   CYS   8           HB3      CYS   8  -0.136   6.810  14.135
   55    H    ARG   9           HN       ARG   9  -0.540   7.469  10.450
   56    HA   ARG   9           HA       ARG   9  -1.803  10.023   9.653
   57   1HB   ARG   9           HB2      ARG   9  -0.368   8.287   7.662
   58   2HB   ARG   9           HB3      ARG   9  -0.547  10.033   7.774
   59   1HG   ARG   9           HG2      ARG   9   1.231  10.191   9.422
   60   2HG   ARG   9           HG3      ARG   9   1.395   8.441   9.503
   61   1HD   ARG   9           HD2      ARG   9   1.700   9.833   6.844
   62   2HD   ARG   9           HD3      ARG   9   3.057   9.597   7.930
   63    HE   ARG   9           HNE      ARG   9   1.652   7.557   6.352
   64   1HH1  ARG   9          HN12      ARG   9   3.770   8.100   9.133
   65   2HH1  ARG   9          HN11      ARG   9   4.168   6.432   9.345
   66   1HH2  ARG   9          HN22      ARG   9   2.069   5.219   6.800
   67   2HH2  ARG   9          HN21      ARG   9   3.606   4.943   7.599
   68    H    LYS  10           HN       LYS  10  -3.794   8.893  10.386
   69    HA   LYS  10           HA       LYS  10  -3.915   6.133  10.996
   70   1HB   LYS  10           HB2      LYS  10  -6.290   7.800  10.053
   71   2HB   LYS  10           HB3      LYS  10  -6.364   6.228  10.842
   72   1HG   LYS  10           HG2      LYS  10  -6.729   7.427  12.700
   73   2HG   LYS  10           HG3      LYS  10  -4.989   7.484  12.780
   74   1HD   LYS  10           HD2      LYS  10  -5.319   9.704  13.027
   75   2HD   LYS  10           HD3      LYS  10  -5.430   9.721  11.266
   76   1HE   LYS  10           HE2      LYS  10  -7.668   9.714  13.335
   77   2HE   LYS  10           HE3      LYS  10  -7.248  11.017  12.232
   78   1HZ   LYS  10          HNZ1      LYS  10  -8.402   8.410  11.454
   79   2HZ   LYS  10          HNZ2      LYS  10  -9.195   9.810  11.591
   80   3HZ   LYS  10          HNZ3      LYS  10  -8.074   9.579  10.401
   81    H    THR  11           HN       THR  11  -5.400   7.100   8.148
   82    HA   THR  11           HA       THR  11  -5.820   4.501   7.142
   83    HB   THR  11           HB       THR  11  -6.013   5.711   4.861
   84    HG1  THR  11           HOG      THR  11  -4.689   7.499   5.425
   85   1HG2  THR  11           HG2      THR  11  -7.598   6.717   7.271
   86   2HG2  THR  11           HG3      THR  11  -8.097   6.833   5.576
   87   3HG2  THR  11           HG1      THR  11  -7.945   5.242   6.347
   88    H    MET  12           HN       MET  12  -2.831   6.448   6.736
   89    HA   MET  12           HA       MET  12  -1.870   4.539   4.699
   90   1HB   MET  12           HB2      MET  12  -0.243   6.898   5.879
   91   2HB   MET  12           HB3      MET  12   0.097   6.060   4.424
   92   1HG   MET  12           HG2      MET  12  -0.793   8.245   3.808
   93   2HG   MET  12           HG3      MET  12  -2.148   7.178   3.510
   94   1HE   MET  12           HE2      MET  12  -3.737   9.258   3.412
   95   2HE   MET  12           HE3      MET  12  -3.743  10.556   4.625
   96   3HE   MET  12           HE1      MET  12  -2.310  10.309   3.601
   97    H    TYR  13           HN       TYR  13  -2.342   3.379   7.137
   98    HA   TYR  13           HA       TYR  13  -1.290   1.927   8.800
   99   1HB   TYR  13           HB2      TYR  13  -0.946   1.107   6.145
  100   2HB   TYR  13           HB3      TYR  13   0.215   0.506   7.333
  101    HD1  TYR  13           HD1      TYR  13  -3.346   1.190   7.056
  102    HD2  TYR  13           HD2      TYR  13  -0.425  -1.480   8.735
  103    HE1  TYR  13           HE1      TYR  13  -5.184  -0.269   7.929
  104    HE2  TYR  13           HE2      TYR  13  -2.207  -2.863   9.652
  105    HH   TYR  13           HOH      TYR  13  -5.672  -2.208   9.089
  106    H    ASP  14           HN       ASP  14   0.048   3.718  10.086
  107    HA   ASP  14           HA       ASP  14   2.868   3.968   9.373
  108   1HB   ASP  14           HB2      ASP  14   1.745   5.645  10.525
  109   2HB   ASP  14           HB3      ASP  14   1.431   4.563  11.934
  110    H    CYS  15           HN       CYS  15   1.216   1.423  10.913
  111    HA   CYS  15           HA       CYS  15   3.295   0.847  12.950
  112   1HB   CYS  15           HB2      CYS  15   0.714  -0.330  12.682
  113   2HB   CYS  15           HB3      CYS  15   1.429  -0.052  14.215
  114    H    CYS  16           HN       CYS  16   4.134  -1.356  13.043
  115    HA   CYS  16           HA       CYS  16   4.424  -3.181  10.988
  116   1HB   CYS  16           HB2      CYS  16   4.854  -3.248  13.885
  117   2HB   CYS  16           HB3      CYS  16   4.092  -4.683  13.521
  118    H    SER  17           HN       SER  17   1.707  -2.948  13.062
  119    HA   SER  17           HA       SER  17   0.289  -5.443  12.323
  120   1HB   SER  17           HB2      SER  17   0.612  -6.397  14.540
  121   2HB   SER  17           HB3      SER  17   2.098  -6.314  13.583
  122    HG   SER  17           HOG      SER  17   2.497  -5.526  15.670
  123    H    GLY  18           HN       GLY  18   0.339  -4.072  15.240
  124   1HA   GLY  18           HA2      GLY  18  -2.546  -3.539  15.510
  125   2HA   GLY  18           HA3      GLY  18  -1.297  -3.030  16.677
  126    H    SER  19           HN       SER  19  -3.308  -1.140  15.710
  127    HA   SER  19           HA       SER  19  -1.911   0.372  13.522
  128   1HB   SER  19           HB2      SER  19  -4.471   0.095  12.538
  129   2HB   SER  19           HB3      SER  19  -3.264  -1.178  12.421
  130    HG   SER  19           HOG      SER  19  -5.179  -2.001  13.244
  131    H    CYS  20           HN       CYS  20  -2.881   2.531  13.075
  132    HA   CYS  20           HA       CYS  20  -3.126   3.906  15.481
  133   1HB   CYS  20           HB2      CYS  20  -2.377   4.749  13.164
  134   2HB   CYS  20           HB3      CYS  20  -4.079   5.161  12.925
  135    H    GLY  21           HN       GLY  21  -4.688   3.123  16.732
  136   1HA   GLY  21           HA2      GLY  21  -7.609   3.150  16.468
  137   2HA   GLY  21           HA3      GLY  21  -6.634   3.399  17.899
  138    H    ARG  22           HN       ARG  22  -6.858   5.645  14.988
  139    HA   ARG  22           HA       ARG  22  -7.966   7.510  14.690
  140   1HB   ARG  22           HB2      ARG  22  -9.239   7.462  17.417
  141   2HB   ARG  22           HB3      ARG  22  -9.783   8.235  15.937
  142   1HG   ARG  22           HG2      ARG  22  -9.843   5.286  16.660
  143   2HG   ARG  22           HG3      ARG  22 -11.192   6.357  16.330
  144   1HD   ARG  22           HD2      ARG  22  -9.168   5.351  14.283
  145   2HD   ARG  22           HD3      ARG  22 -10.822   4.766  14.510
  146    HE   ARG  22           HNE      ARG  22 -10.962   7.568  14.053
  147   1HH1  ARG  22          HN11      ARG  22  -9.732   4.772  12.260
  148   2HH1  ARG  22          HN12      ARG  22  -9.880   5.617  10.736
  149   1HH2  ARG  22          HN22      ARG  22 -11.516   8.401  12.029
  150   2HH2  ARG  22          HN21      ARG  22 -11.019   7.560  10.579
  151    H    ARG  23           HN       ARG  23  -6.708   7.399  17.989
  152    HA   ARG  23           HA       ARG  23  -6.524  10.099  18.569
  153   1HB   ARG  23           HB2      ARG  23  -5.271   9.369  20.486
  154   2HB   ARG  23           HB3      ARG  23  -6.517   8.178  20.109
  155   1HG   ARG  23           HG2      ARG  23  -4.634   6.917  18.776
  156   2HG   ARG  23           HG3      ARG  23  -3.520   7.994  19.633
  157   1HD   ARG  23           HD2      ARG  23  -4.641   7.172  21.804
  158   2HD   ARG  23           HD3      ARG  23  -5.469   5.980  20.811
  159    HE   ARG  23           HNE      ARG  23  -3.495   4.811  20.395
  160   1HH1  ARG  23          HN11      ARG  23  -2.840   7.535  22.601
  161   2HH1  ARG  23          HN12      ARG  23  -1.220   7.003  22.913
  162   1HH2  ARG  23          HN21      ARG  23  -1.319   4.342  20.585
  163   2HH2  ARG  23          HN22      ARG  23  -0.344   5.128  21.783
  164    H    GLY  24           HN       GLY  24  -4.781   8.934  16.060
  165   1HA   GLY  24           HA2      GLY  24  -3.226  10.020  14.806
  166   2HA   GLY  24           HA3      GLY  24  -2.975  11.234  16.071
  167    H    LYS  25           HN       LYS  25  -2.568   7.985  17.150
  168    HA   LYS  25           HA       LYS  25   0.353   8.024  16.756
  169   1HB   LYS  25           HB2      LYS  25  -0.174   7.471  19.514
  170   2HB   LYS  25           HB3      LYS  25   1.100   8.322  18.723
  171   1HG   LYS  25           HG2      LYS  25   0.098  10.386  18.371
  172   2HG   LYS  25           HG3      LYS  25  -1.471   9.772  18.915
  173   1HD   LYS  25           HD2      LYS  25  -0.301   9.183  21.096
  174   2HD   LYS  25           HD3      LYS  25   0.947  10.335  20.607
  175   1HE   LYS  25           HE2      LYS  25  -0.770  11.422  22.034
  176   2HE   LYS  25           HE3      LYS  25  -0.763  12.150  20.418
  177   1HZ   LYS  25          HNZ1      LYS  25  -2.602   9.990  21.156
  178   2HZ   LYS  25          HNZ2      LYS  25  -2.990  11.483  21.526
  179   3HZ   LYS  25          HNZ3      LYS  25  -2.827  11.045  19.931
  180    H    CYS  26           HN       CYS  26   0.923   5.939  16.815
  181    HA   CYS  26           HA       CYS  26  -1.005   4.061  16.096
  182   1HB   CYS  26           HB2      CYS  26   1.827   2.908  16.362
  183   2HB   CYS  26           HB3      CYS  26   0.710   2.140  17.244
  184   1H    NH2  27          HN11      CYS  26  -2.505   2.565  17.000
  185   2H    NH2  27          HN12      CYS  26  -2.632   2.399  18.736
   
  No H/Q in entry =         185
  Start of MODEL           3
 Raw file had  192 H/Q atoms
  Start of MODEL    3
    1   1H    CYS   1           HN2      CYS   1   7.831  -4.864  12.844
    2   2H    CYS   1           HN3      CYS   1   6.629  -5.092  11.725
    3   3H    CYS   1           HN1      CYS   1   8.189  -4.601  11.319
    4    HA   CYS   1           HA       CYS   1   7.882  -2.626  12.587
    5   1HB   CYS   1           HB2      CYS   1   5.817  -1.708  11.146
    6   2HB   CYS   1           HB3      CYS   1   7.266  -1.830  10.359
    7    H    LYS   2           HN       LYS   2   6.492  -1.037  13.423
    8    HA   LYS   2           HA       LYS   2   4.268  -0.973  13.998
    9   1HB   LYS   2           HB2      LYS   2   3.383  -2.155  15.446
   10   2HB   LYS   2           HB3      LYS   2   4.824  -2.890  15.846
   11   1HG   LYS   2           HG2      LYS   2   3.562  -0.403  17.131
   12   2HG   LYS   2           HG3      LYS   2   3.309  -2.078  17.653
   13   1HD   LYS   2           HD2      LYS   2   5.715  -2.513  17.812
   14   2HD   LYS   2           HD3      LYS   2   6.121  -0.926  17.245
   15   1HE   LYS   2           HE2      LYS   2   4.933  -2.016  19.896
   16   2HE   LYS   2           HE3      LYS   2   6.349  -0.999  19.709
   17   1HZ   LYS   2          HNZ3      LYS   2   4.686   0.816  19.142
   18   2HZ   LYS   2          HNZ1      LYS   2   3.486  -0.179  19.601
   19   3HZ   LYS   2          HNZ2      LYS   2   4.586   0.242  20.681
   20    H    GLY   3           HN       GLY   3   3.870   0.848  15.773
   21   1HA   GLY   3           HA2      GLY   3   6.002   2.696  15.120
   22   2HA   GLY   3           HA3      GLY   3   4.466   3.471  15.045
   23    H    LYS   4           HN       LYS   4   5.995   4.464  17.364
   24    HA   LYS   4           HA       LYS   4   4.489   3.057  19.413
   25   1HB   LYS   4           HB2      LYS   4   7.063   2.382  19.295
   26   2HB   LYS   4           HB3      LYS   4   7.403   3.983  19.951
   27   1HG   LYS   4           HG2      LYS   4   5.492   2.007  21.199
   28   2HG   LYS   4           HG3      LYS   4   7.211   1.986  21.564
   29   1HD   LYS   4           HD2      LYS   4   7.073   4.166  22.630
   30   2HD   LYS   4           HD3      LYS   4   5.397   4.399  22.122
   31   1HE   LYS   4           HE2      LYS   4   6.327   2.212  24.018
   32   2HE   LYS   4           HE3      LYS   4   5.475   3.715  24.443
   33   1HZ   LYS   4          HNZ1      LYS   4   3.675   2.915  22.935
   34   2HZ   LYS   4          HNZ2      LYS   4   4.393   1.462  22.881
   35   3HZ   LYS   4          HNZ3      LYS   4   3.857   2.061  24.311
   36    H    GLY   5           HN       GLY   5   3.280   4.419  20.462
   37   1HA   GLY   5           HA2      GLY   5   1.913   6.104  19.965
   38   2HA   GLY   5           HA3      GLY   5   2.962   7.061  20.938
   39    H    ALA   6           HN       ALA   6   3.878   5.647  17.669
   40    HA   ALA   6           HA       ALA   6   5.360   7.765  17.005
   41   1HB   ALA   6           HB3      ALA   6   3.795   5.794  15.332
   42   2HB   ALA   6           HB1      ALA   6   5.094   6.816  14.659
   43   3HB   ALA   6           HB2      ALA   6   5.457   5.636  15.931
   44    HA   PRO   7           HA       PRO   7   2.547  10.894  15.114
   45   1HB   PRO   7           HB2      PRO   7   4.655  11.513  13.153
   46   2HB   PRO   7           HB3      PRO   7   4.001  12.545  14.433
   47   1HG   PRO   7           HG2      PRO   7   6.637  11.442  14.473
   48   2HG   PRO   7           HG3      PRO   7   5.783  12.014  15.895
   49   1HD   PRO   7           HD3      PRO   7   6.101   9.190  14.942
   50   2HD   PRO   7           HD2      PRO   7   5.935   9.845  16.594
   51    H    CYS   8           HN       CYS   8   1.323   9.125  14.569
   52    HA   CYS   8           HA       CYS   8   1.923   7.409  12.461
   53   1HB   CYS   8           HB2      CYS   8   0.160   6.231  13.224
   54   2HB   CYS   8           HB3      CYS   8   0.348   7.325  14.572
   55    H    ARG   9           HN       ARG   9   0.450   6.841  10.856
   56    HA   ARG   9           HA       ARG   9  -0.351   9.106   9.097
   57   1HB   ARG   9           HB2      ARG   9   1.503   6.740   8.512
   58   2HB   ARG   9           HB3      ARG   9   1.243   8.201   7.544
   59   1HG   ARG   9           HG2      ARG   9   2.222   9.564   9.514
   60   2HG   ARG   9           HG3      ARG   9   2.525   8.078  10.310
   61   1HD   ARG   9           HD2      ARG   9   3.868   8.537   7.701
   62   2HD   ARG   9           HD3      ARG   9   4.539   9.025   9.262
   63    HE   ARG   9           HNE      ARG   9   4.504   6.388   8.180
   64   1HH1  ARG   9          HN21      ARG   9   4.224   8.004  11.466
   65   2HH1  ARG   9          HN22      ARG   9   4.290   6.400  12.198
   66   1HH2  ARG   9          HN12      ARG   9   4.757   4.431   9.465
   67   2HH2  ARG   9          HN11      ARG   9   4.557   4.614  11.208
   68    H    LYS  10           HN       LYS  10  -2.491   8.372   9.890
   69    HA   LYS  10           HA       LYS  10  -2.967   5.868  11.139
   70   1HB   LYS  10           HB2      LYS  10  -4.540   8.159  10.355
   71   2HB   LYS  10           HB3      LYS  10  -5.453   6.708   9.969
   72   1HG   LYS  10           HG2      LYS  10  -5.336   5.944  12.258
   73   2HG   LYS  10           HG3      LYS  10  -4.321   7.323  12.759
   74   1HD   LYS  10           HD2      LYS  10  -6.152   8.853  11.845
   75   2HD   LYS  10           HD3      LYS  10  -7.194   7.429  11.725
   76   1HE   LYS  10           HE2      LYS  10  -5.822   8.490  14.253
   77   2HE   LYS  10           HE3      LYS  10  -7.507   8.768  13.806
   78   1HZ   LYS  10          HNZ2      LYS  10  -6.407   6.082  14.299
   79   2HZ   LYS  10          HNZ3      LYS  10  -7.204   6.962  15.408
   80   3HZ   LYS  10          HNZ1      LYS  10  -7.988   6.502  14.061
   81    H    THR  11           HN       THR  11  -4.331   6.355   8.113
   82    HA   THR  11           HA       THR  11  -4.988   3.654   7.590
   83    HB   THR  11           HB       THR  11  -5.087   4.520   5.132
   84    HG1  THR  11           HOG      THR  11  -3.620   6.253   5.412
   85   1HG2  THR  11           HG2      THR  11  -6.588   5.972   7.364
   86   2HG2  THR  11           HG3      THR  11  -7.063   5.920   5.655
   87   3HG2  THR  11           HG1      THR  11  -7.054   4.429   6.615
   88    H    MET  12           HN       MET  12  -1.775   5.016   7.322
   89    HA   MET  12           HA       MET  12  -1.013   2.790   5.473
   90   1HB   MET  12           HB2      MET  12   0.487   5.479   5.937
   91   2HB   MET  12           HB3      MET  12   1.165   4.153   5.127
   92   1HG   MET  12           HG2      MET  12  -0.411   4.344   3.211
   93   2HG   MET  12           HG3      MET  12  -1.282   5.565   4.111
   94   1HE   MET  12           HE2      MET  12  -1.188   7.129   2.030
   95   2HE   MET  12           HE3      MET  12   0.327   7.568   1.208
   96   3HE   MET  12           HE1      MET  12  -0.267   5.893   1.134
   97    H    TYR  13           HN       TYR  13  -1.530   2.093   8.128
   98    HA   TYR  13           HA       TYR  13  -0.590   0.139   9.162
   99   1HB   TYR  13           HB2      TYR  13   0.536   0.302   6.512
  100   2HB   TYR  13           HB3      TYR  13   1.237  -0.756   7.774
  101    HD1  TYR  13           HD1      TYR  13  -2.100   0.319   6.789
  102    HD2  TYR  13           HD2      TYR  13   0.482  -3.006   6.935
  103    HE1  TYR  13           HE1      TYR  13  -4.102  -1.176   6.524
  104    HE2  TYR  13           HE2      TYR  13  -1.404  -4.540   6.593
  105    HH   TYR  13           HOH      TYR  13  -3.694  -4.740   6.370
  106    H    ASP  14           HN       ASP  14   0.222   2.615  10.274
  107    HA   ASP  14           HA       ASP  14   3.102   2.897  10.646
  108   1HB   ASP  14           HB2      ASP  14   1.880   4.754  11.012
  109   2HB   ASP  14           HB3      ASP  14   0.717   4.000  12.073
  110    H    CYS  15           HN       CYS  15   0.837   1.082  12.445
  111    HA   CYS  15           HA       CYS  15   2.514  -0.178  14.594
  112   1HB   CYS  15           HB2      CYS  15  -0.107  -0.170  13.379
  113   2HB   CYS  15           HB3      CYS  15  -0.012  -1.188  14.756
  114    H    CYS  16           HN       CYS  16   3.259  -0.541  12.162
  115    HA   CYS  16           HA       CYS  16   3.861  -1.944  10.278
  116   1HB   CYS  16           HB2      CYS  16   3.378  -3.807  12.504
  117   2HB   CYS  16           HB3      CYS  16   2.685  -4.513  11.244
  118    H    SER  17           HN       SER  17   0.612  -2.375  11.657
  119    HA   SER  17           HA       SER  17  -0.532  -3.838   9.313
  120   1HB   SER  17           HB2      SER  17  -1.047  -5.662  10.791
  121   2HB   SER  17           HB3      SER  17   0.684  -5.435  10.593
  122    HG   SER  17           HOG      SER  17   0.593  -4.176  12.631
  123    H    GLY  18           HN       GLY  18  -1.739  -4.087  12.218
  124   1HA   GLY  18           HA2      GLY  18  -4.354  -2.799  11.659
  125   2HA   GLY  18           HA3      GLY  18  -3.941  -3.581  13.205
  126    H    SER  19           HN       SER  19  -4.771  -0.716  12.964
  127    HA   SER  19           HA       SER  19  -2.123   0.677  12.978
  128   1HB   SER  19           HB2      SER  19  -3.719   2.335  11.525
  129   2HB   SER  19           HB3      SER  19  -3.067   0.840  10.845
  130    HG   SER  19           HOG      SER  19  -5.291   1.012  10.480
  131    H    CYS  20           HN       CYS  20  -1.921   2.735  13.883
  132    HA   CYS  20           HA       CYS  20  -2.710   4.163  15.943
  133   1HB   CYS  20           HB2      CYS  20  -1.712   4.826  13.666
  134   2HB   CYS  20           HB3      CYS  20  -3.353   5.110  13.150
  135    H    GLY  21           HN       GLY  21  -4.459   3.025  16.860
  136   1HA   GLY  21           HA2      GLY  21  -7.244   3.435  16.038
  137   2HA   GLY  21           HA3      GLY  21  -6.545   2.861  17.579
  138    H    ARG  22           HN       ARG  22  -8.478   4.508  18.679
  139    HA   ARG  22           HA       ARG  22  -8.786   6.974  17.616
  140   1HB   ARG  22           HB2      ARG  22  -9.974   5.408  19.648
  141   2HB   ARG  22           HB3      ARG  22  -9.487   6.881  20.469
  142   1HG   ARG  22           HG2      ARG  22 -11.344   6.598  18.076
  143   2HG   ARG  22           HG3      ARG  22 -11.739   7.070  19.727
  144   1HD   ARG  22           HD2      ARG  22 -11.782   9.115  18.710
  145   2HD   ARG  22           HD3      ARG  22 -10.128   9.115  19.294
  146    HE   ARG  22           HNE      ARG  22 -10.841   8.150  16.526
  147   1HH1  ARG  22          HN22      ARG  22  -8.508  10.041  18.319
  148   2HH1  ARG  22          HN21      ARG  22  -8.061  10.991  16.941
  149   1HH2  ARG  22          HN12      ARG  22  -9.962   9.112  14.755
  150   2HH2  ARG  22          HN11      ARG  22  -8.806  10.422  14.918
  151    H    ARG  23           HN       ARG  23  -6.266   6.056  19.871
  152    HA   ARG  23           HA       ARG  23  -5.974   8.660  21.033
  153   1HB   ARG  23           HB2      ARG  23  -4.081   7.872  22.118
  154   2HB   ARG  23           HB3      ARG  23  -5.212   6.522  22.049
  155   1HG   ARG  23           HG2      ARG  23  -3.875   5.658  20.030
  156   2HG   ARG  23           HG3      ARG  23  -2.700   6.949  20.376
  157   1HD   ARG  23           HD2      ARG  23  -2.651   6.028  22.789
  158   2HD   ARG  23           HD3      ARG  23  -3.498   4.626  22.165
  159    HE   ARG  23           HNE      ARG  23  -1.610   4.238  20.593
  160   1HH1  ARG  23          HN11      ARG  23  -0.752   6.349  23.387
  161   2HH1  ARG  23          HN12      ARG  23   0.835   5.630  23.482
  162   1HH2  ARG  23          HN21      ARG  23   0.400   3.408  20.784
  163   2HH2  ARG  23          HN22      ARG  23   1.506   3.954  22.018
  164    H    GLY  24           HN       GLY  24  -5.442   7.853  17.830
  165   1HA   GLY  24           HA2      GLY  24  -4.586   9.132  16.127
  166   2HA   GLY  24           HA3      GLY  24  -4.308  10.461  17.268
  167    H    LYS  25           HN       LYS  25  -2.883   7.282  17.634
  168    HA   LYS  25           HA       LYS  25  -0.326   7.786  16.657
  169   1HB   LYS  25           HB2      LYS  25   0.060   7.633  19.578
  170   2HB   LYS  25           HB3      LYS  25   1.044   8.401  18.361
  171   1HG   LYS  25           HG2      LYS  25  -0.059  10.335  18.123
  172   2HG   LYS  25           HG3      LYS  25  -1.423   9.844  19.113
  173   1HD   LYS  25           HD2      LYS  25   0.923   9.396  20.669
  174   2HD   LYS  25           HD3      LYS  25   1.131  10.970  19.914
  175   1HE   LYS  25           HE2      LYS  25   0.004  11.106  22.141
  176   2HE   LYS  25           HE3      LYS  25  -0.997  11.785  20.844
  177   1HZ   LYS  25          HNZ1      LYS  25  -1.299   9.021  21.801
  178   2HZ   LYS  25          HNZ2      LYS  25  -2.075  10.197  22.518
  179   3HZ   LYS  25          HNZ3      LYS  25  -2.403   9.880  20.929
  180    H    CYS  26           HN       CYS  26   0.772   5.858  17.001
  181    HA   CYS  26           HA       CYS  26  -0.137   3.651  16.300
  182   1HB   CYS  26           HB2      CYS  26   2.493   3.212  17.277
  183   2HB   CYS  26           HB3      CYS  26   1.584   2.767  18.625
  184   1H    NH2  27          HN11      CYS  26  -2.524   1.906  18.308
  185   2H    NH2  27          HN12      CYS  26  -1.976   2.306  16.695
   
  No H/Q in entry =         185
  Start of MODEL           4
 Raw file had  192 H/Q atoms
  Start of MODEL    4
    1   1H    CYS   1           HN3      CYS   1   7.838  -0.293   8.660
    2   2H    CYS   1           HN2      CYS   1   6.581  -0.067   7.553
    3   3H    CYS   1           HN1      CYS   1   7.249   1.203   8.278
    4    HA   CYS   1           HA       CYS   1   5.197   0.829   9.186
    5   1HB   CYS   1           HB2      CYS   1   4.587  -1.091  10.403
    6   2HB   CYS   1           HB3      CYS   1   5.102  -1.565   8.908
    7    H    LYS   2           HN       LYS   2   4.833   0.935  11.524
    8    HA   LYS   2           HA       LYS   2   7.144   2.310  12.830
    9   1HB   LYS   2           HB2      LYS   2   4.391   2.869  12.537
   10   2HB   LYS   2           HB3      LYS   2   4.353   2.374  14.081
   11   1HG   LYS   2           HG2      LYS   2   4.557   4.610  14.253
   12   2HG   LYS   2           HG3      LYS   2   6.061   3.988  14.908
   13   1HD   LYS   2           HD2      LYS   2   7.352   4.692  13.114
   14   2HD   LYS   2           HD3      LYS   2   6.055   4.467  11.937
   15   1HE   LYS   2           HE2      LYS   2   6.100   6.738  13.963
   16   2HE   LYS   2           HE3      LYS   2   6.669   6.871  12.294
   17   1HZ   LYS   2          HNZ3      LYS   2   3.904   6.007  12.938
   18   2HZ   LYS   2          HNZ1      LYS   2   4.335   7.574  12.660
   19   3HZ   LYS   2          HNZ2      LYS   2   4.463   6.359  11.514
   20    H    GLY   3           HN       GLY   3   6.705   2.326  15.240
   21   1HA   GLY   3           HA2      GLY   3   5.123   0.166  16.165
   22   2HA   GLY   3           HA3      GLY   3   6.630  -0.048  16.997
   23    H    LYS   4           HN       LYS   4   5.499   0.482  18.975
   24    HA   LYS   4           HA       LYS   4   3.158   1.912  18.753
   25   1HB   LYS   4           HB2      LYS   4   3.363   0.106  20.526
   26   2HB   LYS   4           HB3      LYS   4   4.593   1.043  21.383
   27   1HG   LYS   4           HG2      LYS   4   1.813   2.172  21.162
   28   2HG   LYS   4           HG3      LYS   4   2.151   0.848  22.243
   29   1HD   LYS   4           HD2      LYS   4   3.947   2.046  23.374
   30   2HD   LYS   4           HD3      LYS   4   3.706   3.486  22.394
   31   1HE   LYS   4           HE2      LYS   4   1.560   2.255  24.188
   32   2HE   LYS   4           HE3      LYS   4   2.675   3.546  24.686
   33   1HZ   LYS   4          HNZ1      LYS   4   0.761   3.782  22.470
   34   2HZ   LYS   4          HNZ2      LYS   4   0.540   4.423  23.931
   35   3HZ   LYS   4          HNZ3      LYS   4   1.754   4.975  23.048
   36    H    GLY   5           HN       GLY   5   2.078   3.500  19.538
   37   1HA   GLY   5           HA2      GLY   5   1.534   5.543  19.792
   38   2HA   GLY   5           HA3      GLY   5   2.410   5.543  21.244
   39    H    ALA   6           HN       ALA   6   4.318   5.223  18.348
   40    HA   ALA   6           HA       ALA   6   5.377   7.912  18.342
   41   1HB   ALA   6           HB2      ALA   6   6.476   5.840  17.488
   42   2HB   ALA   6           HB3      ALA   6   5.211   5.703  16.255
   43   3HB   ALA   6           HB1      ALA   6   6.351   7.079  16.214
   44    HA   PRO   7           HA       PRO   7   1.988   9.845  16.208
   45   1HB   PRO   7           HB2      PRO   7   3.135  11.724  14.588
   46   2HB   PRO   7           HB3      PRO   7   2.968  11.874  16.355
   47   1HG   PRO   7           HG3      PRO   7   5.396  10.942  14.786
   48   2HG   PRO   7           HG2      PRO   7   5.391  12.094  16.148
   49   1HD   PRO   7           HD3      PRO   7   6.033   9.451  16.447
   50   2HD   PRO   7           HD2      PRO   7   5.132  10.301  17.730
   51    H    CYS   8           HN       CYS   8   0.810   9.171  14.469
   52    HA   CYS   8           HA       CYS   8   2.047   7.448  12.441
   53   1HB   CYS   8           HB2      CYS   8   0.283   5.941  13.108
   54   2HB   CYS   8           HB3      CYS   8   0.744   6.692  14.576
   55    H    ARG   9           HN       ARG   9   0.251   6.803  10.880
   56    HA   ARG   9           HA       ARG   9  -1.000   9.160   9.593
   57   1HB   ARG   9           HB2      ARG   9   0.353   7.227   7.849
   58   2HB   ARG   9           HB3      ARG   9   0.488   8.970   7.922
   59   1HG   ARG   9           HG2      ARG   9   2.232   8.887   9.559
   60   2HG   ARG   9           HG3      ARG   9   2.026   7.199   9.895
   61   1HD   ARG   9           HD2      ARG   9   2.888   8.212   7.177
   62   2HD   ARG   9           HD3      ARG   9   3.944   7.527   8.403
   63    HE   ARG   9           HNE      ARG   9   1.757   6.035   6.936
   64   1HH1  ARG   9          HN12      ARG   9   4.377   5.396   9.135
   65   2HH1  ARG   9          HN11      ARG   9   5.213   4.312   8.051
   66   1HH2  ARG   9          HN22      ARG   9   2.277   3.959   6.206
   67   2HH2  ARG   9          HN21      ARG   9   3.840   3.257   6.608
   68    H    LYS  10           HN       LYS  10  -2.949   8.135  10.595
   69    HA   LYS  10           HA       LYS  10  -3.307   5.317  10.996
   70   1HB   LYS  10           HB2      LYS  10  -5.654   7.124  10.361
   71   2HB   LYS  10           HB3      LYS  10  -5.606   5.711  11.372
   72   1HG   LYS  10           HG2      LYS  10  -5.471   7.090  13.133
   73   2HG   LYS  10           HG3      LYS  10  -3.831   7.535  12.703
   74   1HD   LYS  10           HD2      LYS  10  -4.946   9.234  11.041
   75   2HD   LYS  10           HD3      LYS  10  -6.459   8.781  11.828
   76   1HE   LYS  10           HE2      LYS  10  -5.536   9.670  14.008
   77   2HE   LYS  10           HE3      LYS  10  -4.100  10.219  13.126
   78   1HZ   LYS  10          HNZ2      LYS  10  -5.660  11.516  11.704
   79   2HZ   LYS  10          HNZ3      LYS  10  -6.874  11.091  12.637
   80   3HZ   LYS  10          HNZ1      LYS  10  -5.726  12.004  13.296
   81    H    THR  11           HN       THR  11  -5.045   6.797   8.524
   82    HA   THR  11           HA       THR  11  -5.688   4.484   7.047
   83    HB   THR  11           HB       THR  11  -6.009   6.216   5.148
   84    HG1  THR  11           HOG      THR  11  -5.846   8.391   5.970
   85   1HG2  THR  11           HG3      THR  11  -7.275   6.772   7.880
   86   2HG2  THR  11           HG1      THR  11  -7.916   7.284   6.308
   87   3HG2  THR  11           HG2      THR  11  -7.828   5.559   6.706
   88    H    MET  12           HN       MET  12  -2.553   6.152   7.033
   89    HA   MET  12           HA       MET  12  -1.871   4.672   4.512
   90   1HB   MET  12           HB2      MET  12  -0.423   7.140   5.725
   91   2HB   MET  12           HB3      MET  12   0.246   6.165   4.511
   92   1HG   MET  12           HG2      MET  12  -1.437   6.885   2.837
   93   2HG   MET  12           HG3      MET  12  -2.347   7.638   4.117
   94   1HE   MET  12           HE3      MET  12  -2.548   9.815   2.752
   95   2HE   MET  12           HE1      MET  12  -1.151  10.668   2.057
   96   3HE   MET  12           HE2      MET  12  -1.610   9.066   1.434
   97    H    TYR  13           HN       TYR  13  -2.253   3.158   6.798
   98    HA   TYR  13           HA       TYR  13  -1.237   1.082   7.399
   99   1HB   TYR  13           HB2      TYR  13  -0.168   1.769   4.824
  100   2HB   TYR  13           HB3      TYR  13   0.585   0.514   5.838
  101    HD1  TYR  13           HD1      TYR  13  -2.748   1.680   5.048
  102    HD2  TYR  13           HD2      TYR  13  -0.278  -1.796   5.334
  103    HE1  TYR  13           HE1      TYR  13  -4.729   0.261   4.489
  104    HE2  TYR  13           HE2      TYR  13  -2.165  -3.206   4.678
  105    HH   TYR  13           HOH      TYR  13  -5.426  -1.907   4.015
  106    H    ASP  14           HN       ASP  14  -0.529   2.946   9.225
  107    HA   ASP  14           HA       ASP  14   2.422   3.238   9.279
  108   1HB   ASP  14           HB2      ASP  14   1.010   5.074   9.781
  109   2HB   ASP  14           HB3      ASP  14   0.460   4.262  11.234
  110    H    CYS  15           HN       CYS  15   0.234   1.278  11.238
  111    HA   CYS  15           HA       CYS  15   2.585   0.730  12.894
  112   1HB   CYS  15           HB2      CYS  15   0.028  -0.643  13.491
  113   2HB   CYS  15           HB3      CYS  15   1.092  -0.227  14.671
  114    H    CYS  16           HN       CYS  16   3.416  -1.266  13.221
  115    HA   CYS  16           HA       CYS  16   3.341  -2.857  10.846
  116   1HB   CYS  16           HB2      CYS  16   4.939  -2.724  13.338
  117   2HB   CYS  16           HB3      CYS  16   4.524  -4.329  13.062
  118    H    SER  17           HN       SER  17   1.768  -3.308  13.913
  119    HA   SER  17           HA       SER  17   0.841  -6.089  13.452
  120   1HB   SER  17           HB2      SER  17   0.700  -6.095  15.895
  121   2HB   SER  17           HB3      SER  17   2.338  -5.856  15.263
  122    HG   SER  17           HOG      SER  17   1.919  -4.319  16.880
  123    H    GLY  18           HN       GLY  18  -0.336  -4.044  15.621
  124   1HA   GLY  18           HA2      GLY  18  -3.219  -4.089  14.861
  125   2HA   GLY  18           HA3      GLY  18  -2.482  -3.182  16.192
  126    H    SER  19           HN       SER  19  -3.763  -1.213  15.325
  127    HA   SER  19           HA       SER  19  -2.075   0.179  13.317
  128   1HB   SER  19           HB2      SER  19  -4.456   0.513  11.975
  129   2HB   SER  19           HB3      SER  19  -3.473  -0.933  11.770
  130    HG   SER  19           HOG      SER  19  -5.634  -1.458  12.191
  131    H    CYS  20           HN       CYS  20  -2.495   2.475  13.066
  132    HA   CYS  20           HA       CYS  20  -3.124   3.655  15.542
  133   1HB   CYS  20           HB2      CYS  20  -1.716   4.506  13.419
  134   2HB   CYS  20           HB3      CYS  20  -3.251   5.271  13.058
  135    H    GLY  21           HN       GLY  21  -5.067   3.153  16.250
  136   1HA   GLY  21           HA2      GLY  21  -7.590   3.807  14.900
  137   2HA   GLY  21           HA3      GLY  21  -7.297   3.812  16.678
  138    H    ARG  22           HN       ARG  22  -8.918   6.215  15.961
  139    HA   ARG  22           HA       ARG  22  -7.081   8.131  14.805
  140   1HB   ARG  22           HB2      ARG  22  -9.938   8.502  15.717
  141   2HB   ARG  22           HB3      ARG  22  -8.894   9.670  14.889
  142   1HG   ARG  22           HG2      ARG  22  -8.621   7.944  13.006
  143   2HG   ARG  22           HG3      ARG  22  -9.946   7.067  13.778
  144   1HD   ARG  22           HD2      ARG  22 -10.982   8.356  12.121
  145   2HD   ARG  22           HD3      ARG  22 -11.321   9.262  13.585
  146    HE   ARG  22           HNE      ARG  22  -9.450   9.927  11.333
  147   1HH1  ARG  22          HN21      ARG  22 -10.498  10.983  14.557
  148   2HH1  ARG  22          HN22      ARG  22  -9.651  12.493  14.350
  149   1HH2  ARG  22          HN11      ARG  22  -8.907  12.068  10.994
  150   2HH2  ARG  22          HN12      ARG  22  -8.895  13.154  12.348
  151    H    ARG  23           HN       ARG  23  -6.696   7.044  17.725
  152    HA   ARG  23           HA       ARG  23  -6.392   9.388  19.315
  153   1HB   ARG  23           HB2      ARG  23  -6.017   7.092  20.127
  154   2HB   ARG  23           HB3      ARG  23  -4.678   6.898  18.984
  155   1HG   ARG  23           HG2      ARG  23  -3.416   8.703  20.215
  156   2HG   ARG  23           HG3      ARG  23  -4.775   8.848  21.341
  157   1HD   ARG  23           HD2      ARG  23  -2.942   7.458  22.245
  158   2HD   ARG  23           HD3      ARG  23  -4.428   6.509  22.044
  159    HE   ARG  23           HNE      ARG  23  -2.674   6.355  19.709
  160   1HH1  ARG  23          HN11      ARG  23  -2.440   5.261  22.986
  161   2HH1  ARG  23          HN12      ARG  23  -2.232   3.588  22.597
  162   1HH2  ARG  23          HN22      ARG  23  -1.799   4.407  19.214
  163   2HH2  ARG  23          HN21      ARG  23  -1.504   3.195  20.451
  164    H    GLY  24           HN       GLY  24  -4.663   8.313  16.377
  165   1HA   GLY  24           HA2      GLY  24  -3.069   9.444  15.152
  166   2HA   GLY  24           HA3      GLY  24  -3.263  10.870  16.181
  167    H    LYS  25           HN       LYS  25  -2.430   7.724  17.558
  168    HA   LYS  25           HA       LYS  25   0.349   8.232  17.300
  169   1HB   LYS  25           HB2      LYS  25  -0.021   7.360  20.106
  170   2HB   LYS  25           HB3      LYS  25   1.161   8.390  19.345
  171   1HG   LYS  25           HG2      LYS  25  -0.638  10.210  19.191
  172   2HG   LYS  25           HG3      LYS  25  -1.195   9.414  20.668
  173   1HD   LYS  25           HD2      LYS  25   1.735  10.250  20.112
  174   2HD   LYS  25           HD3      LYS  25   0.528  11.268  20.796
  175   1HE   LYS  25           HE2      LYS  25   1.907  10.347  22.583
  176   2HE   LYS  25           HE3      LYS  25   0.257   9.727  22.752
  177   1HZ   LYS  25          HNZ2      LYS  25   2.479   8.184  21.512
  178   2HZ   LYS  25          HNZ3      LYS  25   1.963   8.017  23.052
  179   3HZ   LYS  25          HNZ1      LYS  25   0.955   7.670  21.862
  180    H    CYS  26           HN       CYS  26   1.326   6.326  17.388
  181    HA   CYS  26           HA       CYS  26  -0.198   4.522  15.800
  182   1HB   CYS  26           HB2      CYS  26   2.818   3.738  16.567
  183   2HB   CYS  26           HB3      CYS  26   1.666   2.642  16.626
  184   1H    NH2  27          HN11      CYS  26  -1.604   2.789  16.311
  185   2H    NH2  27          HN12      CYS  26  -1.636   2.026  17.883
   
  No H/Q in entry =         185
  Start of MODEL           5
 Raw file had  192 H/Q atoms
  Start of MODEL    5
    1   1H    CYS   1           HN2      CYS   1   9.052  -0.757   9.890
    2   2H    CYS   1           HN1      CYS   1   8.461  -0.991   8.348
    3   3H    CYS   1           HN3      CYS   1   8.922   0.517   8.879
    4    HA   CYS   1           HA       CYS   1   6.616   0.533   8.994
    5   1HB   CYS   1           HB2      CYS   1   5.418  -1.180  10.403
    6   2HB   CYS   1           HB3      CYS   1   6.081  -1.756   8.972
    7    H    LYS   2           HN       LYS   2   5.373   1.119  10.951
    8    HA   LYS   2           HA       LYS   2   7.172   2.346  12.943
    9   1HB   LYS   2           HB3      LYS   2   5.008   3.272  11.578
   10   2HB   LYS   2           HB2      LYS   2   4.189   2.636  12.970
   11   1HG   LYS   2           HG2      LYS   2   4.530   4.942  13.247
   12   2HG   LYS   2           HG3      LYS   2   5.485   4.111  14.466
   13   1HD   LYS   2           HD2      LYS   2   7.532   4.561  13.390
   14   2HD   LYS   2           HD3      LYS   2   6.798   4.695  11.790
   15   1HE   LYS   2           HE2      LYS   2   6.185   6.716  13.988
   16   2HE   LYS   2           HE3      LYS   2   7.583   6.906  12.916
   17   1HZ   LYS   2          HNZ3      LYS   2   5.000   6.411  11.670
   18   2HZ   LYS   2          HNZ1      LYS   2   5.245   7.882  12.348
   19   3HZ   LYS   2          HNZ2      LYS   2   6.286   7.302  11.168
   20    H    GLY   3           HN       GLY   3   6.124   2.478  15.188
   21   1HA   GLY   3           HA2      GLY   3   4.744   0.151  16.045
   22   2HA   GLY   3           HA3      GLY   3   6.300   0.118  16.875
   23    H    LYS   4           HN       LYS   4   4.979   0.424  18.851
   24    HA   LYS   4           HA       LYS   4   2.637   1.925  18.540
   25   1HB   LYS   4           HB2      LYS   4   2.694  -0.137  20.025
   26   2HB   LYS   4           HB3      LYS   4   3.725   0.741  21.179
   27   1HG   LYS   4           HG2      LYS   4   1.954   2.098  21.889
   28   2HG   LYS   4           HG3      LYS   4   0.917   1.631  20.506
   29   1HD   LYS   4           HD2      LYS   4   0.613  -0.579  21.329
   30   2HD   LYS   4           HD3      LYS   4   1.935  -0.420  22.497
   31   1HE   LYS   4           HE2      LYS   4  -0.323  -0.317  23.564
   32   2HE   LYS   4           HE3      LYS   4   0.695   1.098  23.879
   33   1HZ   LYS   4          HNZ1      LYS   4  -1.472   1.045  21.858
   34   2HZ   LYS   4          HNZ2      LYS   4  -1.511   1.778  23.346
   35   3HZ   LYS   4          HNZ3      LYS   4  -0.487   2.294  22.224
   36    H    GLY   5           HN       GLY   5   1.660   3.577  19.362
   37   1HA   GLY   5           HA2      GLY   5   1.310   5.670  19.608
   38   2HA   GLY   5           HA3      GLY   5   2.055   5.652  21.143
   39    H    ALA   6           HN       ALA   6   4.119   5.005  18.333
   40    HA   ALA   6           HA       ALA   6   5.382   7.572  18.288
   41   1HB   ALA   6           HB1      ALA   6   6.291   5.371  17.468
   42   2HB   ALA   6           HB2      ALA   6   5.076   5.413  16.176
   43   3HB   ALA   6           HB3      ALA   6   6.371   6.638  16.227
   44    HA   PRO   7           HA       PRO   7   2.359   9.839  15.943
   45   1HB   PRO   7           HB2      PRO   7   3.864  11.394  14.231
   46   2HB   PRO   7           HB3      PRO   7   3.610  11.704  15.972
   47   1HG   PRO   7           HG2      PRO   7   5.976  10.383  14.651
   48   2HG   PRO   7           HG3      PRO   7   5.929  11.583  15.983
   49   1HD   PRO   7           HD3      PRO   7   6.279   8.905  16.415
   50   2HD   PRO   7           HD2      PRO   7   5.411   9.936  17.583
   51    H    CYS   8           HN       CYS   8   1.093   9.092  14.262
   52    HA   CYS   8           HA       CYS   8   2.265   7.234  12.237
   53   1HB   CYS   8           HB2      CYS   8   0.253   5.920  12.570
   54   2HB   CYS   8           HB3      CYS   8   0.619   6.468  14.201
   55    H    ARG   9           HN       ARG   9   1.019   6.866  10.455
   56    HA   ARG   9           HA       ARG   9   0.157   9.369   9.125
   57   1HB   ARG   9           HB2      ARG   9   1.643   6.893   8.136
   58   2HB   ARG   9           HB3      ARG   9   1.367   8.450   7.351
   59   1HG   ARG   9           HG2      ARG   9   2.545   9.557   9.369
   60   2HG   ARG   9           HG3      ARG   9   3.100   7.958   9.800
   61   1HD   ARG   9           HD2      ARG   9   3.634   9.043   7.013
   62   2HD   ARG   9           HD3      ARG   9   4.683   9.331   8.412
   63    HE   ARG   9           HNE      ARG   9   3.910   6.507   7.959
   64   1HH1  ARG   9          HN21      ARG   9   6.559   8.856   7.524
   65   2HH1  ARG   9          HN22      ARG   9   7.688   7.733   8.254
   66   1HH2  ARG   9          HN11      ARG   9   5.360   5.128   8.497
   67   2HH2  ARG   9          HN12      ARG   9   7.061   5.566   8.706
   68    H    LYS  10           HN       LYS  10  -1.892   8.773  10.176
   69    HA   LYS  10           HA       LYS  10  -2.739   6.217  10.971
   70   1HB   LYS  10           HB2      LYS  10  -3.682   8.639  11.406
   71   2HB   LYS  10           HB3      LYS  10  -4.734   8.297  10.037
   72   1HG   LYS  10           HG2      LYS  10  -5.351   6.125  11.373
   73   2HG   LYS  10           HG3      LYS  10  -4.572   6.956  12.757
   74   1HD   LYS  10           HD2      LYS  10  -6.010   8.948  12.336
   75   2HD   LYS  10           HD3      LYS  10  -6.869   8.054  11.074
   76   1HE   LYS  10           HE2      LYS  10  -6.691   7.326  14.029
   77   2HE   LYS  10           HE3      LYS  10  -8.106   7.997  13.194
   78   1HZ   LYS  10          HNZ3      LYS  10  -8.111   5.988  11.818
   79   2HZ   LYS  10          HNZ1      LYS  10  -6.932   5.313  12.812
   80   3HZ   LYS  10          HNZ2      LYS  10  -8.416   5.669  13.367
   81    H    THR  11           HN       THR  11  -4.228   7.550   8.269
   82    HA   THR  11           HA       THR  11  -5.616   5.260   7.506
   83    HB   THR  11           HB       THR  11  -5.684   6.442   5.181
   84    HG1  THR  11           HOG      THR  11  -3.736   7.644   5.517
   85   1HG2  THR  11           HG2      THR  11  -6.486   7.954   7.717
   86   2HG2  THR  11           HG3      THR  11  -7.122   8.239   6.086
   87   3HG2  THR  11           HG1      THR  11  -7.446   6.700   6.904
   88    H    MET  12           HN       MET  12  -2.201   6.000   6.705
   89    HA   MET  12           HA       MET  12  -2.243   3.877   4.675
   90   1HB   MET  12           HB2      MET  12   0.290   5.339   5.747
   91   2HB   MET  12           HB3      MET  12   0.173   4.462   4.275
   92   1HG   MET  12           HG2      MET  12   0.223   6.838   3.720
   93   2HG   MET  12           HG3      MET  12  -1.429   6.351   3.414
   94   1HE   MET  12           HE2      MET  12  -2.189   8.811   3.261
   95   2HE   MET  12           HE3      MET  12  -1.741  10.067   4.438
   96   3HE   MET  12           HE1      MET  12  -0.485   9.305   3.434
   97    H    TYR  13           HN       TYR  13  -2.783   3.113   7.542
   98    HA   TYR  13           HA       TYR  13  -2.042   1.361   9.072
   99   1HB   TYR  13           HB2      TYR  13  -2.114   0.376   6.411
  100   2HB   TYR  13           HB3      TYR  13  -1.049  -0.434   7.580
  101    HD1  TYR  13           HD1      TYR  13  -4.310   1.199   7.516
  102    HD2  TYR  13           HD2      TYR  13  -2.165  -2.248   8.889
  103    HE1  TYR  13           HE1      TYR  13  -6.294   0.516   8.897
  104    HE2  TYR  13           HE2      TYR  13  -4.094  -2.947  10.215
  105    HH   TYR  13           HOH      TYR  13  -7.065  -0.996  10.486
  106    H    ASP  14           HN       ASP  14  -0.409   3.390   9.515
  107    HA   ASP  14           HA       ASP  14   2.342   2.982   8.737
  108   1HB   ASP  14           HB2      ASP  14   1.144   5.035   9.683
  109   2HB   ASP  14           HB3      ASP  14   1.695   4.349  11.247
  110    H    CYS  15           HN       CYS  15   0.530   1.516  11.255
  111    HA   CYS  15           HA       CYS  15   2.808   0.835  12.892
  112   1HB   CYS  15           HB2      CYS  15   0.243  -0.570  13.131
  113   2HB   CYS  15           HB3      CYS  15   1.127  -0.150  14.482
  114    H    CYS  16           HN       CYS  16   3.762  -1.075  13.001
  115    HA   CYS  16           HA       CYS  16   3.841  -2.741  10.748
  116   1HB   CYS  16           HB2      CYS  16   5.193  -2.765  13.382
  117   2HB   CYS  16           HB3      CYS  16   4.672  -4.340  13.064
  118    H    SER  17           HN       SER  17   2.006  -3.127  13.735
  119    HA   SER  17           HA       SER  17   0.469  -5.509  12.853
  120   1HB   SER  17           HB2      SER  17   0.522  -6.195  15.165
  121   2HB   SER  17           HB3      SER  17   2.137  -6.163  14.437
  122    HG   SER  17           HOG      SER  17   2.222  -5.129  16.442
  123    H    GLY  18           HN       GLY  18   0.003  -4.019  15.635
  124   1HA   GLY  18           HA2      GLY  18  -2.809  -3.672  15.155
  125   2HA   GLY  18           HA3      GLY  18  -2.063  -3.151  16.656
  126    H    SER  19           HN       SER  19  -3.876  -1.553  14.799
  127    HA   SER  19           HA       SER  19  -2.015   0.217  13.343
  128   1HB   SER  19           HB2      SER  19  -4.433   0.400  12.057
  129   2HB   SER  19           HB3      SER  19  -3.341  -0.985  11.922
  130    HG   SER  19           HOG      SER  19  -5.517  -1.550  12.339
  131    H    CYS  20           HN       CYS  20  -2.556   2.512  12.994
  132    HA   CYS  20           HA       CYS  20  -2.939   3.864  15.396
  133   1HB   CYS  20           HB2      CYS  20  -1.712   4.530  13.232
  134   2HB   CYS  20           HB3      CYS  20  -3.283   5.074  12.676
  135    H    GLY  21           HN       GLY  21  -4.796   3.192  16.345
  136   1HA   GLY  21           HA2      GLY  21  -7.453   3.624  15.270
  137   2HA   GLY  21           HA3      GLY  21  -7.000   3.425  16.995
  138    H    ARG  22           HN       ARG  22  -9.079   5.454  16.941
  139    HA   ARG  22           HA       ARG  22  -8.310   7.799  15.614
  140   1HB   ARG  22           HB2      ARG  22 -10.567   6.970  17.419
  141   2HB   ARG  22           HB3      ARG  22 -10.240   8.689  17.223
  142   1HG   ARG  22           HG2      ARG  22 -11.836   8.196  15.575
  143   2HG   ARG  22           HG3      ARG  22 -10.301   8.452  14.748
  144   1HD   ARG  22           HD2      ARG  22 -10.093   5.831  14.869
  145   2HD   ARG  22           HD3      ARG  22 -11.816   5.868  15.250
  146    HE   ARG  22           HNE      ARG  22 -10.889   7.330  12.822
  147   1HH1  ARG  22          HN21      ARG  22 -11.561   4.096  13.782
  148   2HH1  ARG  22          HN22      ARG  22 -12.603   3.685  12.478
  149   1HH2  ARG  22          HN12      ARG  22 -11.592   6.639  10.833
  150   2HH2  ARG  22          HN11      ARG  22 -12.488   5.164  10.620
  151    H    ARG  23           HN       ARG  23  -7.164   6.720  18.653
  152    HA   ARG  23           HA       ARG  23  -6.663   9.213  19.878
  153   1HB   ARG  23           HB2      ARG  23  -5.119   8.071  21.207
  154   2HB   ARG  23           HB3      ARG  23  -6.346   6.874  20.806
  155   1HG   ARG  23           HG2      ARG  23  -4.750   6.115  18.888
  156   2HG   ARG  23           HG3      ARG  23  -3.538   7.161  19.666
  157   1HD   ARG  23           HD2      ARG  23  -4.069   5.884  21.836
  158   2HD   ARG  23           HD3      ARG  23  -4.898   4.712  20.819
  159    HE   ARG  23           HNE      ARG  23  -2.873   4.071  19.774
  160   1HH1  ARG  23          HN11      ARG  23  -2.222   6.435  22.419
  161   2HH1  ARG  23          HN12      ARG  23  -0.735   5.604  22.806
  162   1HH2  ARG  23          HN22      ARG  23  -0.681   3.584  19.937
  163   2HH2  ARG  23          HN21      ARG  23   0.230   4.247  21.296
  164    H    GLY  24           HN       GLY  24  -5.288   7.891  16.930
  165   1HA   GLY  24           HA2      GLY  24  -4.095   9.000  15.331
  166   2HA   GLY  24           HA3      GLY  24  -4.115  10.478  16.313
  167    H    LYS  25           HN       LYS  25  -2.762   7.387  17.431
  168    HA   LYS  25           HA       LYS  25  -0.021   8.218  16.981
  169   1HB   LYS  25           HB2      LYS  25  -0.360   7.405  19.791
  170   2HB   LYS  25           HB3      LYS  25   0.790   8.509  19.061
  171   1HG   LYS  25           HG2      LYS  25  -0.825  10.240  18.592
  172   2HG   LYS  25           HG3      LYS  25  -2.048   9.257  19.470
  173   1HD   LYS  25           HD2      LYS  25  -0.590   9.298  21.408
  174   2HD   LYS  25           HD3      LYS  25   0.515  10.416  20.587
  175   1HE   LYS  25           HE2      LYS  25  -1.067  11.690  22.045
  176   2HE   LYS  25           HE3      LYS  25  -1.248  12.117  20.336
  177   1HZ   LYS  25          HNZ1      LYS  25  -3.237  10.655  20.283
  178   2HZ   LYS  25          HNZ2      LYS  25  -3.001  10.319  21.866
  179   3HZ   LYS  25          HNZ3      LYS  25  -3.374  11.838  21.414
  180    H    CYS  26           HN       CYS  26   1.133   6.312  17.146
  181    HA   CYS  26           HA       CYS  26  -0.314   4.524  15.488
  182   1HB   CYS  26           HB2      CYS  26   2.674   3.780  16.356
  183   2HB   CYS  26           HB3      CYS  26   1.554   2.725  16.223
  184   1H    NH2  27          HN11      CYS  26  -1.679   1.915  17.605
  185   2H    NH2  27          HN12      CYS  26  -1.629   2.536  15.966
   
  No H/Q in entry =         185
  Start of MODEL           6
 Raw file had  192 H/Q atoms
  Start of MODEL    6
    1   1H    CYS   1           HN3      CYS   1   9.247   0.467   8.469
    2   2H    CYS   1           HN1      CYS   1   9.637  -0.949   9.214
    3   3H    CYS   1           HN2      CYS   1   8.655  -0.968   7.876
    4    HA   CYS   1           HA       CYS   1   6.928   0.170   9.074
    5   1HB   CYS   1           HB2      CYS   1   6.091  -1.323  10.455
    6   2HB   CYS   1           HB3      CYS   1   6.890  -2.199   9.216
    7    H    LYS   2           HN       LYS   2   7.616  -0.376  11.915
    8    HA   LYS   2           HA       LYS   2   8.106   2.363  12.923
    9   1HB   LYS   2           HB2      LYS   2   5.423   1.732  11.947
   10   2HB   LYS   2           HB3      LYS   2   5.404   1.041  13.397
   11   1HG   LYS   2           HG2      LYS   2   4.425   3.311  13.400
   12   2HG   LYS   2           HG3      LYS   2   5.916   3.552  14.319
   13   1HD   LYS   2           HD2      LYS   2   7.110   3.936  12.093
   14   2HD   LYS   2           HD3      LYS   2   5.564   3.880  11.307
   15   1HE   LYS   2           HE2      LYS   2   6.341   5.844  13.569
   16   2HE   LYS   2           HE3      LYS   2   6.569   6.231  11.871
   17   1HZ   LYS   2          HNZ2      LYS   2   3.861   5.573  12.827
   18   2HZ   LYS   2          HNZ3      LYS   2   4.469   7.139  12.884
   19   3HZ   LYS   2          HNZ1      LYS   2   4.315   6.283  11.492
   20    H    GLY   3           HN       GLY   3   6.892   2.329  15.137
   21   1HA   GLY   3           HA2      GLY   3   6.211  -0.252  15.974
   22   2HA   GLY   3           HA3      GLY   3   7.444   0.169  17.096
   23    H    LYS   4           HN       LYS   4   5.561   0.016  18.733
   24    HA   LYS   4           HA       LYS   4   3.167   1.270  18.289
   25   1HB   LYS   4           HB2      LYS   4   4.324   0.207  20.970
   26   2HB   LYS   4           HB3      LYS   4   2.694   0.432  20.591
   27   1HG   LYS   4           HG2      LYS   4   3.992  -1.352  18.588
   28   2HG   LYS   4           HG3      LYS   4   3.995  -1.919  20.248
   29   1HD   LYS   4           HD2      LYS   4   2.065  -2.755  19.022
   30   2HD   LYS   4           HD3      LYS   4   1.608  -1.795  20.428
   31   1HE   LYS   4           HE2      LYS   4   0.142  -1.352  18.496
   32   2HE   LYS   4           HE3      LYS   4   0.990   0.101  19.029
   33   1HZ   LYS   4          HNZ2      LYS   4   2.569  -0.306  17.154
   34   2HZ   LYS   4          HNZ3      LYS   4   1.694  -1.541  16.634
   35   3HZ   LYS   4          HNZ1      LYS   4   1.038  -0.089  16.616
   36    H    GLY   5           HN       GLY   5   2.070   2.641  19.828
   37   1HA   GLY   5           HA2      GLY   5   1.445   4.728  20.000
   38   2HA   GLY   5           HA3      GLY   5   2.495   4.880  21.331
   39    H    ALA   6           HN       ALA   6   3.593   4.345  17.849
   40    HA   ALA   6           HA       ALA   6   5.213   6.731  18.078
   41   1HB   ALA   6           HB3      ALA   6   4.431   4.841  15.817
   42   2HB   ALA   6           HB1      ALA   6   5.666   6.129  15.709
   43   3HB   ALA   6           HB2      ALA   6   5.909   4.750  16.814
   44    HA   PRO   7           HA       PRO   7   1.789   9.294  16.632
   45   1HB   PRO   7           HB2      PRO   7   3.153  11.178  15.134
   46   2HB   PRO   7           HB3      PRO   7   2.926  11.220  16.906
   47   1HG   PRO   7           HG2      PRO   7   5.341  10.343  15.358
   48   2HG   PRO   7           HG3      PRO   7   5.239  11.221  16.916
   49   1HD   PRO   7           HD3      PRO   7   5.762   8.520  16.639
   50   2HD   PRO   7           HD2      PRO   7   5.034   9.204  18.122
   51    H    CYS   8           HN       CYS   8   0.580   9.011  14.706
   52    HA   CYS   8           HA       CYS   8   1.794   7.701  12.329
   53   1HB   CYS   8           HB2      CYS   8   0.344   5.752  12.720
   54   2HB   CYS   8           HB3      CYS   8   1.443   5.976  14.060
   55    H    ARG   9           HN       ARG   9   0.266   7.230  10.742
   56    HA   ARG   9           HA       ARG   9  -1.359   9.673  10.332
   57   1HB   ARG   9           HB2      ARG   9   0.306   8.138   8.316
   58   2HB   ARG   9           HB3      ARG   9  -0.325   9.781   8.225
   59   1HG   ARG   9           HG2      ARG   9   1.195  10.562   9.959
   60   2HG   ARG   9           HG3      ARG   9   1.856   8.957  10.189
   61   1HD   ARG   9           HD2      ARG   9   2.083   9.601   7.358
   62   2HD   ARG   9           HD3      ARG   9   2.723  10.915   8.339
   63    HE   ARG   9           HNE      ARG   9   4.429   9.602   9.150
   64   1HH1  ARG   9          HN12      ARG   9   2.000   7.381   7.799
   65   2HH1  ARG   9          HN11      ARG   9   2.855   6.047   8.581
   66   1HH2  ARG   9          HN21      ARG   9   5.603   7.733   9.554
   67   2HH2  ARG   9          HN22      ARG   9   4.776   6.209   9.357
   68    H    LYS  10           HN       LYS  10  -3.560   8.993   9.655
   69    HA   LYS  10           HA       LYS  10  -3.768   6.048  10.274
   70   1HB   LYS  10           HB2      LYS  10  -6.041   8.058  10.148
   71   2HB   LYS  10           HB3      LYS  10  -6.092   6.418  10.772
   72   1HG   LYS  10           HG2      LYS  10  -6.378   8.003  12.457
   73   2HG   LYS  10           HG3      LYS  10  -4.915   7.176  12.911
   74   1HD   LYS  10           HD2      LYS  10  -3.534   8.921  12.049
   75   2HD   LYS  10           HD3      LYS  10  -4.951   9.802  11.422
   76   1HE   LYS  10           HE2      LYS  10  -4.516   9.017  14.350
   77   2HE   LYS  10           HE3      LYS  10  -4.050  10.615  13.713
   78   1HZ   LYS  10          HNZ3      LYS  10  -6.802   9.558  13.667
   79   2HZ   LYS  10          HNZ1      LYS  10  -6.253  10.477  14.872
   80   3HZ   LYS  10          HNZ2      LYS  10  -6.395  11.048  13.307
   81    H    THR  11           HN       THR  11  -2.844   6.530   7.615
   82    HA   THR  11           HA       THR  11  -5.276   5.869   5.979
   83    HB   THR  11           HB       THR  11  -3.860   6.746   4.107
   84    HG1  THR  11           HOG      THR  11  -2.016   7.980   4.776
   85   1HG2  THR  11           HG1      THR  11  -5.537   8.190   5.249
   86   2HG2  THR  11           HG2      THR  11  -4.285   8.751   6.374
   87   3HG2  THR  11           HG3      THR  11  -4.152   9.115   4.643
   88    H    MET  12           HN       MET  12  -1.972   5.351   4.990
   89    HA   MET  12           HA       MET  12  -2.744   2.642   4.302
   90   1HB   MET  12           HB2      MET  12   0.121   3.851   4.053
   91   2HB   MET  12           HB3      MET  12  -0.421   2.407   3.296
   92   1HG   MET  12           HG2      MET  12  -0.250   4.246   1.668
   93   2HG   MET  12           HG3      MET  12  -1.920   3.733   1.764
   94   1HE   MET  12           HE3      MET  12  -2.731   5.780   0.431
   95   2HE   MET  12           HE1      MET  12  -2.220   7.451   0.766
   96   3HE   MET  12           HE2      MET  12  -1.029   6.258   0.194
   97    H    TYR  13           HN       TYR  13  -2.820   2.953   7.068
   98    HA   TYR  13           HA       TYR  13  -2.455   1.518   8.974
   99   1HB   TYR  13           HB2      TYR  13  -2.265  -0.181   6.703
  100   2HB   TYR  13           HB3      TYR  13  -1.632  -0.683   8.294
  101    HD1  TYR  13           HD1      TYR  13  -4.417   1.207   6.939
  102    HD2  TYR  13           HD2      TYR  13  -3.354  -1.809   9.780
  103    HE1  TYR  13           HE1      TYR  13  -6.669   1.440   7.987
  104    HE2  TYR  13           HE2      TYR  13  -5.637  -1.808  10.647
  105    HH   TYR  13           HOH      TYR  13  -7.742  -0.841  10.562
  106    H    ASP  14           HN       ASP  14  -0.671   3.354   9.197
  107    HA   ASP  14           HA       ASP  14   2.114   3.163   8.583
  108   1HB   ASP  14           HB2      ASP  14   1.062   5.167   9.301
  109   2HB   ASP  14           HB3      ASP  14   0.469   4.353  10.722
  110    H    CYS  15           HN       CYS  15   0.493   1.285  10.967
  111    HA   CYS  15           HA       CYS  15   2.772   1.255  12.789
  112   1HB   CYS  15           HB3      CYS  15   0.226  -0.397  13.077
  113   2HB   CYS  15           HB2      CYS  15   1.481   0.066  14.247
  114    H    CYS  16           HN       CYS  16   4.363  -0.657  13.041
  115    HA   CYS  16           HA       CYS  16   4.405  -2.611  11.005
  116   1HB   CYS  16           HB2      CYS  16   5.728  -2.378  13.705
  117   2HB   CYS  16           HB3      CYS  16   5.167  -3.914  13.477
  118    H    SER  17           HN       SER  17   2.513  -2.640  14.128
  119    HA   SER  17           HA       SER  17   0.553  -3.982  12.607
  120   1HB   SER  17           HB2      SER  17   0.164  -5.742  14.502
  121   2HB   SER  17           HB3      SER  17   1.388  -6.043  13.293
  122    HG   SER  17           HOG      SER  17   2.918  -5.136  14.851
  123    H    GLY  18           HN       GLY  18  -1.238  -4.092  14.263
  124   1HA   GLY  18           HA2      GLY  18  -2.718  -3.060  15.901
  125   2HA   GLY  18           HA3      GLY  18  -1.402  -1.949  16.341
  126    H    SER  19           HN       SER  19  -3.312  -0.307  15.886
  127    HA   SER  19           HA       SER  19  -2.988   0.553  13.044
  128   1HB   SER  19           HB2      SER  19  -5.663   0.866  13.175
  129   2HB   SER  19           HB3      SER  19  -4.905  -0.665  12.735
  130    HG   SER  19           HOG      SER  19  -6.558  -0.877  14.347
  131    H    CYS  20           HN       CYS  20  -3.373   2.805  12.698
  132    HA   CYS  20           HA       CYS  20  -3.229   4.541  15.023
  133   1HB   CYS  20           HB2      CYS  20  -2.204   4.736  12.503
  134   2HB   CYS  20           HB3      CYS  20  -3.785   5.380  12.202
  135    H    GLY  21           HN       GLY  21  -5.209   3.906  16.082
  136   1HA   GLY  21           HA2      GLY  21  -7.697   3.597  14.547
  137   2HA   GLY  21           HA3      GLY  21  -7.518   3.483  16.294
  138    H    ARG  22           HN       ARG  22  -6.571   6.217  16.566
  139    HA   ARG  22           HA       ARG  22  -8.552   8.086  15.603
  140   1HB   ARG  22           HB2      ARG  22  -8.955   6.992  18.428
  141   2HB   ARG  22           HB3      ARG  22  -9.481   8.600  17.952
  142   1HG   ARG  22           HG2      ARG  22 -10.529   5.955  16.890
  143   2HG   ARG  22           HG3      ARG  22 -11.268   7.023  18.073
  144   1HD   ARG  22           HD2      ARG  22 -12.464   7.535  16.159
  145   2HD   ARG  22           HD3      ARG  22 -11.280   8.852  16.259
  146    HE   ARG  22           HNE      ARG  22 -10.536   6.424  14.751
  147   1HH1  ARG  22          HN12      ARG  22 -11.617   9.792  14.287
  148   2HH1  ARG  22          HN11      ARG  22 -10.427  10.031  13.023
  149   1HH2  ARG  22          HN22      ARG  22  -9.202   6.739  13.145
  150   2HH2  ARG  22          HN21      ARG  22  -9.172   8.258  12.245
  151    H    ARG  23           HN       ARG  23  -6.611   7.585  18.581
  152    HA   ARG  23           HA       ARG  23  -6.440  10.264  19.242
  153   1HB   ARG  23           HB2      ARG  23  -4.840   9.419  20.928
  154   2HB   ARG  23           HB3      ARG  23  -6.304   8.436  20.822
  155   1HG   ARG  23           HG2      ARG  23  -5.109   6.714  19.472
  156   2HG   ARG  23           HG3      ARG  23  -3.685   7.751  19.415
  157   1HD   ARG  23           HD2      ARG  23  -3.640   7.674  21.915
  158   2HD   ARG  23           HD3      ARG  23  -4.889   6.417  21.873
  159    HE   ARG  23           HNE      ARG  23  -2.851   5.624  20.076
  160   1HH1  ARG  23          HN11      ARG  23  -2.895   6.527  23.532
  161   2HH1  ARG  23          HN12      ARG  23  -1.304   5.881  23.773
  162   1HH2  ARG  23          HN22      ARG  23  -0.994   4.306  20.645
  163   2HH2  ARG  23          HN21      ARG  23  -0.191   4.828  22.116
  164    H    GLY  24           HN       GLY  24  -4.623   8.857  16.742
  165   1HA   GLY  24           HA2      GLY  24  -2.824   9.784  15.493
  166   2HA   GLY  24           HA3      GLY  24  -2.773  11.150  16.596
  167    H    LYS  25           HN       LYS  25  -2.451   7.653  17.384
  168    HA   LYS  25           HA       LYS  25   0.236   7.701  17.146
  169   1HB   LYS  25           HB2      LYS  25   0.241   6.878  19.975
  170   2HB   LYS  25           HB3      LYS  25   1.425   7.612  19.038
  171   1HG   LYS  25           HG2      LYS  25   1.046   9.049  20.794
  172   2HG   LYS  25           HG3      LYS  25   0.753   9.852  19.258
  173   1HD   LYS  25           HD2      LYS  25  -1.410  10.306  19.765
  174   2HD   LYS  25           HD3      LYS  25  -1.691   8.658  20.307
  175   1HE   LYS  25           HE2      LYS  25  -0.389  10.909  21.948
  176   2HE   LYS  25           HE3      LYS  25  -2.085  10.417  22.057
  177   1HZ   LYS  25          HNZ3      LYS  25  -1.347   8.243  22.794
  178   2HZ   LYS  25          HNZ1      LYS  25   0.208   8.698  22.837
  179   3HZ   LYS  25          HNZ2      LYS  25  -0.953   9.386  23.804
  180    H    CYS  26           HN       CYS  26   0.701   5.624  16.967
  181    HA   CYS  26           HA       CYS  26  -1.169   3.823  16.336
  182   1HB   CYS  26           HB2      CYS  26   1.613   2.681  16.445
  183   2HB   CYS  26           HB3      CYS  26   0.613   1.852  17.483
  184   1H    NH2  27          HN11      CYS  26  -2.989   2.255  18.907
  185   2H    NH2  27          HN12      CYS  26  -2.872   2.644  17.205
   
  No H/Q in entry =         185
  Start of MODEL           7
 Raw file had  192 H/Q atoms
  Start of MODEL    7
    1   1H    CYS   1           HN1      CYS   1  10.137  -2.590  11.163
    2   2H    CYS   1           HN3      CYS   1   9.886  -3.939  12.106
    3   3H    CYS   1           HN2      CYS   1   9.323  -3.792  10.529
    4    HA   CYS   1           HA       CYS   1   7.878  -2.011  11.081
    5   1HB   CYS   1           HB2      CYS   1   6.121  -3.011  11.888
    6   2HB   CYS   1           HB3      CYS   1   7.052  -4.321  11.284
    7    H    LYS   2           HN       LYS   2   6.945  -2.106  13.838
    8    HA   LYS   2           HA       LYS   2   8.157   0.563  14.419
    9   1HB   LYS   2           HB2      LYS   2   5.915   0.064  12.798
   10   2HB   LYS   2           HB3      LYS   2   5.195  -0.199  14.268
   11   1HG   LYS   2           HG2      LYS   2   4.788   2.033  13.252
   12   2HG   LYS   2           HG3      LYS   2   5.780   2.450  14.632
   13   1HD   LYS   2           HD2      LYS   2   7.817   2.334  13.232
   14   2HD   LYS   2           HD3      LYS   2   6.889   1.737  11.869
   15   1HE   LYS   2           HE2      LYS   2   6.631   4.533  13.108
   16   2HE   LYS   2           HE3      LYS   2   7.419   4.113  11.577
   17   1HZ   LYS   2          HNZ2      LYS   2   5.105   3.196  10.952
   18   2HZ   LYS   2          HNZ3      LYS   2   4.523   4.043  12.182
   19   3HZ   LYS   2          HNZ1      LYS   2   5.226   4.834  10.992
   20    H    GLY   3           HN       GLY   3   6.479   1.514  15.980
   21   1HA   GLY   3           HA2      GLY   3   4.431   0.253  16.897
   22   2HA   GLY   3           HA3      GLY   3   5.445  -0.432  18.092
   23    H    LYS   4           HN       LYS   4   4.576   0.786  19.901
   24    HA   LYS   4           HA       LYS   4   2.768   2.419  19.439
   25   1HB   LYS   4           HB2      LYS   4   4.397   2.335  22.081
   26   2HB   LYS   4           HB3      LYS   4   2.717   2.754  21.957
   27   1HG   LYS   4           HG2      LYS   4   3.750  -0.048  21.421
   28   2HG   LYS   4           HG3      LYS   4   3.017   0.571  22.890
   29   1HD   LYS   4           HD2      LYS   4   0.956   1.200  21.577
   30   2HD   LYS   4           HD3      LYS   4   1.630   0.339  20.183
   31   1HE   LYS   4           HE2      LYS   4   1.740  -1.752  21.587
   32   2HE   LYS   4           HE3      LYS   4   1.071  -0.834  22.957
   33   1HZ   LYS   4          HNZ1      LYS   4  -0.870  -0.389  21.580
   34   2HZ   LYS   4          HNZ2      LYS   4  -0.336  -1.328  20.416
   35   3HZ   LYS   4          HNZ3      LYS   4  -0.707  -1.978  21.903
   36    H    GLY   5           HN       GLY   5   1.897   4.230  19.731
   37   1HA   GLY   5           HA2      GLY   5   1.516   6.292  19.424
   38   2HA   GLY   5           HA3      GLY   5   2.391   6.665  20.854
   39    H    ALA   6           HN       ALA   6   4.264   5.435  18.176
   40    HA   ALA   6           HA       ALA   6   5.539   7.745  17.294
   41   1HB   ALA   6           HB1      ALA   6   6.029   5.435  16.544
   42   2HB   ALA   6           HB2      ALA   6   4.486   5.375  15.666
   43   3HB   ALA   6           HB3      ALA   6   5.764   6.488  15.132
   44    HA   PRO   7           HA       PRO   7   2.178  10.166  15.389
   45   1HB   PRO   7           HB2      PRO   7   3.558  11.464  13.401
   46   2HB   PRO   7           HB3      PRO   7   3.526  11.949  15.121
   47   1HG   PRO   7           HG2      PRO   7   5.658  10.443  13.639
   48   2HG   PRO   7           HG3      PRO   7   5.811  11.706  14.898
   49   1HD   PRO   7           HD3      PRO   7   6.093   8.997  15.349
   50   2HD   PRO   7           HD2      PRO   7   5.555  10.127  16.624
   51    H    CYS   8           HN       CYS   8   0.711   9.425  13.871
   52    HA   CYS   8           HA       CYS   8   1.546   7.842  11.534
   53   1HB   CYS   8           HB2      CYS   8   0.229   5.993  12.138
   54   2HB   CYS   8           HB3      CYS   8   1.567   6.199  13.285
   55    H    ARG   9           HN       ARG   9  -0.159   7.465  10.151
   56    HA   ARG   9           HA       ARG   9  -1.801   9.925  10.070
   57   1HB   ARG   9           HB2      ARG   9  -0.019   8.493   8.085
   58   2HB   ARG   9           HB3      ARG   9  -0.995   9.918   7.711
   59   1HG   ARG   9           HG2      ARG   9   0.266  11.320   9.175
   60   2HG   ARG   9           HG3      ARG   9   0.980  10.008  10.034
   61   1HD   ARG   9           HD2      ARG   9   1.730   9.774   7.203
   62   2HD   ARG   9           HD3      ARG   9   2.148  11.339   7.889
   63    HE   ARG   9           HNE      ARG   9   3.678  10.435   9.303
   64   1HH1  ARG   9          HN12      ARG   9   1.961   7.629   7.867
   65   2HH1  ARG   9          HN11      ARG   9   2.763   6.536   9.014
   66   1HH2  ARG   9          HN21      ARG   9   4.510   8.883  10.784
   67   2HH2  ARG   9          HN22      ARG   9   4.064   7.182  10.547
   68    H    LYS  10           HN       LYS  10  -3.997   9.012  10.117
   69    HA   LYS  10           HA       LYS  10  -3.912   6.153  10.387
   70   1HB   LYS  10           HB2      LYS  10  -6.537   7.632  10.173
   71   2HB   LYS  10           HB3      LYS  10  -6.191   6.105  10.975
   72   1HG   LYS  10           HG2      LYS  10  -6.342   7.456  12.784
   73   2HG   LYS  10           HG3      LYS  10  -4.627   7.578  12.608
   74   1HD   LYS  10           HD2      LYS  10  -5.594   9.689  10.960
   75   2HD   LYS  10           HD3      LYS  10  -6.820   9.477  12.170
   76   1HE   LYS  10           HE2      LYS  10  -5.536  11.109  13.131
   77   2HE   LYS  10           HE3      LYS  10  -4.936   9.674  13.949
   78   1HZ   LYS  10          HNZ1      LYS  10  -3.660  11.086  11.692
   79   2HZ   LYS  10          HNZ2      LYS  10  -3.265  11.235  13.257
   80   3HZ   LYS  10          HNZ3      LYS  10  -2.933   9.833  12.490
   81    H    THR  11           HN       THR  11  -5.163   7.572   7.581
   82    HA   THR  11           HA       THR  11  -5.774   5.019   6.373
   83    HB   THR  11           HB       THR  11  -5.804   6.549   4.271
   84    HG1  THR  11           HOG      THR  11  -4.452   8.191   5.138
   85   1HG2  THR  11           HG1      THR  11  -7.499   7.285   6.704
   86   2HG2  THR  11           HG2      THR  11  -7.879   7.650   5.011
   87   3HG2  THR  11           HG3      THR  11  -7.836   5.965   5.561
   88    H    MET  12           HN       MET  12  -2.635   6.035   7.152
   89    HA   MET  12           HA       MET  12  -1.570   4.882   4.590
   90   1HB   MET  12           HB2      MET  12  -0.342   7.180   6.279
   91   2HB   MET  12           HB3      MET  12   0.471   6.412   5.009
   92   1HG   MET  12           HG2      MET  12  -1.068   7.357   3.292
   93   2HG   MET  12           HG3      MET  12  -2.039   8.005   4.593
   94   1HE   MET  12           HE1      MET  12  -1.063   9.753   2.222
   95   2HE   MET  12           HE2      MET  12  -2.021  10.378   3.591
   96   3HE   MET  12           HE3      MET  12  -0.533  11.213   3.090
   97    H    TYR  13           HN       TYR  13  -2.127   3.127   6.716
   98    HA   TYR  13           HA       TYR  13  -1.089   0.994   7.039
   99   1HB   TYR  13           HB2      TYR  13  -0.107   2.003   4.536
  100   2HB   TYR  13           HB3      TYR  13   0.636   0.599   5.332
  101    HD1  TYR  13           HD1      TYR  13  -2.674   1.947   4.808
  102    HD2  TYR  13           HD2      TYR  13  -0.312  -1.609   4.575
  103    HE1  TYR  13           HE1      TYR  13  -4.711   0.668   4.088
  104    HE2  TYR  13           HE2      TYR  13  -2.253  -2.869   3.831
  105    HH   TYR  13           HOH      TYR  13  -4.503  -2.835   3.329
  106    H    ASP  14           HN       ASP  14  -0.181   2.692   9.001
  107    HA   ASP  14           HA       ASP  14   2.722   3.166   8.729
  108   1HB   ASP  14           HB2      ASP  14   1.193   4.897   9.341
  109   2HB   ASP  14           HB3      ASP  14   0.727   3.971  10.784
  110    H    CYS  15           HN       CYS  15   0.967   0.870  10.614
  111    HA   CYS  15           HA       CYS  15   3.242   0.556  12.500
  112   1HB   CYS  15           HB2      CYS  15   0.406  -0.073  12.708
  113   2HB   CYS  15           HB3      CYS  15   1.221  -0.194  14.192
  114    H    CYS  16           HN       CYS  16   3.582  -1.638  13.367
  115    HA   CYS  16           HA       CYS  16   4.042  -3.661  11.557
  116   1HB   CYS  16           HB2      CYS  16   3.940  -3.436  14.492
  117   2HB   CYS  16           HB3      CYS  16   3.195  -4.859  14.125
  118    H    SER  17           HN       SER  17   1.018  -3.068  12.995
  119    HA   SER  17           HA       SER  17  -0.412  -5.551  12.312
  120   1HB   SER  17           HB2      SER  17  -0.422  -6.468  14.562
  121   2HB   SER  17           HB3      SER  17   1.173  -6.511  13.804
  122    HG   SER  17           HOG      SER  17   1.325  -5.717  15.932
  123    H    GLY  18           HN       GLY  18  -0.523  -4.009  15.144
  124   1HA   GLY  18           HA2      GLY  18  -3.355  -3.147  15.040
  125   2HA   GLY  18           HA3      GLY  18  -2.204  -2.711  16.330
  126    H    SER  19           HN       SER  19  -3.779  -0.672  14.908
  127    HA   SER  19           HA       SER  19  -1.803   0.552  12.945
  128   1HB   SER  19           HB2      SER  19  -3.462   0.232  11.262
  129   2HB   SER  19           HB3      SER  19  -4.019  -0.917  12.359
  130    HG   SER  19           HOG      SER  19  -5.419   0.459  13.393
  131    H    CYS  20           HN       CYS  20  -3.244   2.827  12.466
  132    HA   CYS  20           HA       CYS  20  -2.484   4.289  14.836
  133   1HB   CYS  20           HB2      CYS  20  -2.084   4.866  12.322
  134   2HB   CYS  20           HB3      CYS  20  -3.796   5.394  12.333
  135    H    GLY  21           HN       GLY  21  -4.250   3.003  15.878
  136   1HA   GLY  21           HA2      GLY  21  -6.955   4.326  15.749
  137   2HA   GLY  21           HA3      GLY  21  -6.477   2.752  16.459
  138    H    ARG  22           HN       ARG  22  -7.777   3.976  18.661
  139    HA   ARG  22           HA       ARG  22  -7.478   4.746  20.660
  140   1HB   ARG  22           HB2      ARG  22  -4.643   3.833  20.075
  141   2HB   ARG  22           HB3      ARG  22  -5.161   4.399  21.684
  142   1HG   ARG  22           HG2      ARG  22  -6.667   2.685  21.994
  143   2HG   ARG  22           HG3      ARG  22  -6.850   2.339  20.292
  144   1HD   ARG  22           HD2      ARG  22  -4.424   1.674  22.024
  145   2HD   ARG  22           HD3      ARG  22  -5.634   0.526  21.475
  146    HE   ARG  22           HNE      ARG  22  -3.284   1.167  20.142
  147   1HH1  ARG  22          HN22      ARG  22  -6.689   0.644  19.281
  148   2HH1  ARG  22          HN21      ARG  22  -6.306   0.373  17.592
  149   1HH2  ARG  22          HN12      ARG  22  -2.858   0.622  17.979
  150   2HH2  ARG  22          HN11      ARG  22  -4.160   0.559  16.823
  151    H    ARG  23           HN       ARG  23  -4.298   6.253  20.304
  152    HA   ARG  23           HA       ARG  23  -5.648   8.855  20.634
  153   1HB   ARG  23           HB2      ARG  23  -3.313   9.658  20.993
  154   2HB   ARG  23           HB3      ARG  23  -3.878   8.479  22.159
  155   1HG   ARG  23           HG2      ARG  23  -2.393   7.473  19.731
  156   2HG   ARG  23           HG3      ARG  23  -1.471   8.307  20.986
  157   1HD   ARG  23           HD2      ARG  23  -1.660   6.669  22.503
  158   2HD   ARG  23           HD3      ARG  23  -3.319   6.260  22.067
  159    HE   ARG  23           HNE      ARG  23  -1.571   5.401  19.944
  160   1HH1  ARG  23          HN22      ARG  23  -2.559   4.651  23.288
  161   2HH1  ARG  23          HN21      ARG  23  -2.181   2.955  23.139
  162   1HH2  ARG  23          HN12      ARG  23  -0.825   3.137  19.915
  163   2HH2  ARG  23          HN11      ARG  23  -1.364   2.082  21.177
  164    H    GLY  24           HN       GLY  24  -5.156   7.157  17.814
  165   1HA   GLY  24           HA2      GLY  24  -4.750   7.878  15.617
  166   2HA   GLY  24           HA3      GLY  24  -4.835   9.549  16.185
  167    H    LYS  25           HN       LYS  25  -2.615   7.021  17.268
  168    HA   LYS  25           HA       LYS  25  -0.209   8.121  16.266
  169   1HB   LYS  25           HB2      LYS  25  -0.009   8.017  19.175
  170   2HB   LYS  25           HB3      LYS  25   1.001   8.890  18.081
  171   1HG   LYS  25           HG2      LYS  25  -1.768   9.834  18.703
  172   2HG   LYS  25           HG3      LYS  25  -0.311  10.353  19.556
  173   1HD   LYS  25           HD2      LYS  25   0.641  11.415  17.739
  174   2HD   LYS  25           HD3      LYS  25  -0.381  10.617  16.557
  175   1HE   LYS  25           HE2      LYS  25  -1.366  12.678  18.612
  176   2HE   LYS  25           HE3      LYS  25  -1.008  12.989  16.904
  177   1HZ   LYS  25          HNZ3      LYS  25  -2.692  11.299  16.365
  178   2HZ   LYS  25          HNZ1      LYS  25  -3.204  11.270  17.924
  179   3HZ   LYS  25          HNZ2      LYS  25  -3.299  12.636  16.991
  180    H    CYS  26           HN       CYS  26   1.178   6.398  16.519
  181    HA   CYS  26           HA       CYS  26   0.147   4.121  15.582
  182   1HB   CYS  26           HB3      CYS  26   1.910   2.697  16.883
  183   2HB   CYS  26           HB2      CYS  26   2.954   3.793  16.994
  184   1H    NH2  27          HN11      CYS  26  -1.443   2.053  17.947
  185   2H    NH2  27          HN12      CYS  26  -1.381   2.580  16.288
   
  No H/Q in entry =         185
  Start of MODEL           8
 Raw file had  192 H/Q atoms
  Start of MODEL    8
    1   1H    CYS   1           HN2      CYS   1   8.706  -0.376   9.672
    2   2H    CYS   1           HN1      CYS   1   7.907  -0.459   8.198
    3   3H    CYS   1           HN3      CYS   1   8.434   0.981   8.797
    4    HA   CYS   1           HA       CYS   1   6.242   0.954   9.063
    5   1HB   CYS   1           HB3      CYS   1   5.549  -0.915  11.021
    6   2HB   CYS   1           HB2      CYS   1   5.035  -0.790   9.391
    7    H    LYS   2           HN       LYS   2   5.102   1.777  10.931
    8    HA   LYS   2           HA       LYS   2   6.900   2.917  12.938
    9   1HB   LYS   2           HB3      LYS   2   4.477   3.645  11.689
   10   2HB   LYS   2           HB2      LYS   2   3.882   3.011  13.134
   11   1HG   LYS   2           HG2      LYS   2   4.117   5.348  13.398
   12   2HG   LYS   2           HG3      LYS   2   5.184   4.530  14.532
   13   1HD   LYS   2           HD2      LYS   2   7.114   5.263  13.522
   14   2HD   LYS   2           HD3      LYS   2   6.468   5.077  11.884
   15   1HE   LYS   2           HE2      LYS   2   5.608   7.307  13.754
   16   2HE   LYS   2           HE3      LYS   2   6.940   7.472  12.604
   17   1HZ   LYS   2          HNZ1      LYS   2   4.285   6.627  11.616
   18   2HZ   LYS   2          HNZ2      LYS   2   4.698   8.219  11.925
   19   3HZ   LYS   2          HNZ3      LYS   2   5.560   7.349  10.843
   20    H    GLY   3           HN       GLY   3   6.002   2.920  15.188
   21   1HA   GLY   3           HA2      GLY   3   3.729   1.914  15.822
   22   2HA   GLY   3           HA3      GLY   3   4.601   0.425  16.151
   23    H    LYS   4           HN       LYS   4   3.880   1.027  18.504
   24    HA   LYS   4           HA       LYS   4   3.419   2.213  20.186
   25   1HB   LYS   4           HB2      LYS   4   5.363   0.606  20.693
   26   2HB   LYS   4           HB3      LYS   4   6.420   1.952  20.360
   27   1HG   LYS   4           HG2      LYS   4   6.343   1.693  22.727
   28   2HG   LYS   4           HG3      LYS   4   5.339   3.114  22.437
   29   1HD   LYS   4           HD2      LYS   4   3.289   1.560  22.510
   30   2HD   LYS   4           HD3      LYS   4   4.402   0.228  22.840
   31   1HE   LYS   4           HE2      LYS   4   3.703   0.745  24.984
   32   2HE   LYS   4           HE3      LYS   4   5.206   1.671  24.880
   33   1HZ   LYS   4          HNZ3      LYS   4   3.665   3.579  24.199
   34   2HZ   LYS   4          HNZ1      LYS   4   2.438   2.654  24.592
   35   3HZ   LYS   4          HNZ2      LYS   4   3.504   3.076  25.765
   36    H    GLY   5           HN       GLY   5   2.856   3.936  21.205
   37   1HA   GLY   5           HA2      GLY   5   1.761   5.755  20.484
   38   2HA   GLY   5           HA3      GLY   5   2.811   6.382  21.648
   39    H    ALA   6           HN       ALA   6   4.016   5.329  18.526
   40    HA   ALA   6           HA       ALA   6   5.393   7.690  18.135
   41   1HB   ALA   6           HB3      ALA   6   4.666   5.320  16.455
   42   2HB   ALA   6           HB1      ALA   6   5.900   6.524  15.941
   43   3HB   ALA   6           HB2      ALA   6   6.121   5.589  17.436
   44    HA   PRO   7           HA       PRO   7   2.538  10.427  15.842
   45   1HB   PRO   7           HB2      PRO   7   5.149  11.128  14.460
   46   2HB   PRO   7           HB3      PRO   7   3.838  12.216  14.997
   47   1HG   PRO   7           HG3      PRO   7   6.057  11.932  16.514
   48   2HG   PRO   7           HG2      PRO   7   4.450  11.877  17.303
   49   1HD   PRO   7           HD3      PRO   7   6.217   9.541  16.513
   50   2HD   PRO   7           HD2      PRO   7   5.326   9.850  18.039
   51    H    CYS   8           HN       CYS   8   1.330   8.979  14.639
   52    HA   CYS   8           HA       CYS   8   2.577   7.513  12.458
   53   1HB   CYS   8           HB2      CYS   8   0.765   5.882  12.939
   54   2HB   CYS   8           HB3      CYS   8   1.457   6.396  14.466
   55    H    ARG   9           HN       ARG   9   1.339   6.806  10.756
   56    HA   ARG   9           HA       ARG   9  -0.014   9.102   9.449
   57   1HB   ARG   9           HB2      ARG   9   1.639   6.856   8.264
   58   2HB   ARG   9           HB3      ARG   9   1.296   8.479   7.649
   59   1HG   ARG   9           HG2      ARG   9   2.596   9.463   9.619
   60   2HG   ARG   9           HG3      ARG   9   3.056   7.866  10.062
   61   1HD   ARG   9           HD2      ARG   9   3.721   8.729   7.268
   62   2HD   ARG   9           HD3      ARG   9   4.784   8.970   8.658
   63    HE   ARG   9           HNE      ARG   9   3.699   6.246   8.466
   64   1HH1  ARG   9          HN11      ARG   9   6.662   8.091   7.994
   65   2HH1  ARG   9          HN12      ARG   9   7.553   6.708   7.467
   66   1HH2  ARG   9          HN21      ARG   9   4.865   4.578   8.328
   67   2HH2  ARG   9          HN22      ARG   9   6.547   4.547   7.832
   68    H    LYS  10           HN       LYS  10  -1.880   8.130  10.637
   69    HA   LYS  10           HA       LYS  10  -2.602   5.456  11.132
   70   1HB   LYS  10           HB2      LYS  10  -4.549   7.589  10.234
   71   2HB   LYS  10           HB3      LYS  10  -4.954   6.078  11.044
   72   1HG   LYS  10           HG2      LYS  10  -4.484   6.879  13.115
   73   2HG   LYS  10           HG3      LYS  10  -3.006   7.668  12.633
   74   1HD   LYS  10           HD2      LYS  10  -4.272   9.496  13.174
   75   2HD   LYS  10           HD3      LYS  10  -4.606   9.438  11.453
   76   1HE   LYS  10           HE2      LYS  10  -6.309   8.423  13.767
   77   2HE   LYS  10           HE3      LYS  10  -6.710   9.754  12.671
   78   1HZ   LYS  10          HNZ3      LYS  10  -6.551   6.885  11.977
   79   2HZ   LYS  10          HNZ1      LYS  10  -7.919   7.744  12.130
   80   3HZ   LYS  10          HNZ2      LYS  10  -6.955   8.074  10.904
   81    H    THR  11           HN       THR  11  -3.864   6.875   8.378
   82    HA   THR  11           HA       THR  11  -5.236   4.640   7.471
   83    HB   THR  11           HB       THR  11  -5.174   5.889   5.181
   84    HG1  THR  11           HOG      THR  11  -3.242   7.052   5.611
   85   1HG2  THR  11           HG2      THR  11  -6.093   7.316   7.725
   86   2HG2  THR  11           HG3      THR  11  -6.612   7.705   6.076
   87   3HG2  THR  11           HG1      THR  11  -7.028   6.135   6.785
   88    H    MET  12           HN       MET  12  -1.774   5.325   6.850
   89    HA   MET  12           HA       MET  12  -1.766   3.219   4.783
   90   1HB   MET  12           HB2      MET  12   0.739   4.614   6.017
   91   2HB   MET  12           HB3      MET  12   0.707   3.687   4.573
   92   1HG   MET  12           HG2      MET  12   0.898   6.054   3.990
   93   2HG   MET  12           HG3      MET  12  -0.700   5.563   3.475
   94   1HE   MET  12           HE1      MET  12  -1.442   7.992   3.125
   95   2HE   MET  12           HE2      MET  12  -1.136   9.304   4.286
   96   3HE   MET  12           HE3      MET  12   0.231   8.492   3.486
   97    H    TYR  13           HN       TYR  13  -2.651   2.367   7.327
   98    HA   TYR  13           HA       TYR  13  -2.199   0.735   9.081
   99   1HB   TYR  13           HB2      TYR  13  -1.643  -0.468   6.553
  100   2HB   TYR  13           HB3      TYR  13  -0.904  -1.143   8.016
  101    HD1  TYR  13           HD1      TYR  13  -4.030   0.391   7.000
  102    HD2  TYR  13           HD2      TYR  13  -2.305  -2.778   9.313
  103    HE1  TYR  13           HE1      TYR  13  -6.288  -0.139   7.946
  104    HE2  TYR  13           HE2      TYR  13  -4.472  -3.248  10.314
  105    HH   TYR  13           HOH      TYR  13  -7.419  -1.396   9.542
  106    H    ASP  14           HN       ASP  14  -0.722   2.896   9.526
  107    HA   ASP  14           HA       ASP  14   2.117   2.675   9.040
  108   1HB   ASP  14           HB2      ASP  14   0.705   4.741   9.524
  109   2HB   ASP  14           HB3      ASP  14   0.875   4.261  11.178
  110    H    CYS  15           HN       CYS  15   0.333   1.356  11.634
  111    HA   CYS  15           HA       CYS  15   2.460   1.220  13.627
  112   1HB   CYS  15           HB2      CYS  15  -0.293   0.297  13.066
  113   2HB   CYS  15           HB3      CYS  15   0.199  -0.266  14.579
  114    H    CYS  16           HN       CYS  16   2.717  -0.142  11.365
  115    HA   CYS  16           HA       CYS  16   3.225  -1.981   9.961
  116   1HB   CYS  16           HB2      CYS  16   4.445  -2.367  12.461
  117   2HB   CYS  16           HB3      CYS  16   3.772  -3.902  12.215
  118    H    SER  17           HN       SER  17   1.070  -2.611  12.524
  119    HA   SER  17           HA       SER  17   0.381  -5.394  11.560
  120   1HB   SER  17           HB2      SER  17   0.439  -6.025  13.886
  121   2HB   SER  17           HB3      SER  17   1.999  -5.424  13.315
  122    HG   SER  17           HOG      SER  17   1.527  -3.398  14.300
  123    H    GLY  18           HN       GLY  18  -0.811  -4.181  14.202
  124   1HA   GLY  18           HA2      GLY  18  -3.655  -3.745  13.430
  125   2HA   GLY  18           HA3      GLY  18  -2.904  -3.280  14.975
  126    H    SER  19           HN       SER  19  -4.256  -1.243  14.226
  127    HA   SER  19           HA       SER  19  -2.515   0.575  12.592
  128   1HB   SER  19           HB2      SER  19  -5.139   1.116  11.676
  129   2HB   SER  19           HB3      SER  19  -4.123  -0.175  11.040
  130    HG   SER  19           HOG      SER  19  -6.046  -1.094  11.562
  131    H    CYS  20           HN       CYS  20  -3.136   2.925  12.845
  132    HA   CYS  20           HA       CYS  20  -2.542   3.209  15.534
  133   1HB   CYS  20           HB2      CYS  20  -1.403   4.295  13.579
  134   2HB   CYS  20           HB3      CYS  20  -2.853   5.305  13.381
  135    H    GLY  21           HN       GLY  21  -4.809   2.472  16.018
  136   1HA   GLY  21           HA3      GLY  21  -6.093   2.817  17.917
  137   2HA   GLY  21           HA2      GLY  21  -5.068   4.226  18.290
  138    H    ARG  22           HN       ARG  22  -6.606   5.005  15.404
  139    HA   ARG  22           HA       ARG  22  -8.126   6.562  14.919
  140   1HB   ARG  22           HB2      ARG  22  -9.513   6.267  17.594
  141   2HB   ARG  22           HB3      ARG  22 -10.126   6.962  16.103
  142   1HG   ARG  22           HG2      ARG  22  -9.538   4.023  16.666
  143   2HG   ARG  22           HG3      ARG  22 -11.116   4.771  16.448
  144   1HD   ARG  22           HD2      ARG  22  -8.951   4.436  14.339
  145   2HD   ARG  22           HD3      ARG  22 -10.440   3.507  14.451
  146    HE   ARG  22           HNE      ARG  22 -11.551   5.885  14.273
  147   1HH1  ARG  22          HN21      ARG  22  -8.689   4.817  12.396
  148   2HH1  ARG  22          HN22      ARG  22  -9.175   5.719  10.994
  149   1HH2  ARG  22          HN12      ARG  22 -12.042   7.163  12.390
  150   2HH2  ARG  22          HN11      ARG  22 -10.904   7.150  11.069
  151    H    ARG  23           HN       ARG  23  -6.949   6.826  18.289
  152    HA   ARG  23           HA       ARG  23  -6.934   9.604  18.510
  153   1HB   ARG  23           HB2      ARG  23  -5.241   9.282  20.245
  154   2HB   ARG  23           HB3      ARG  23  -6.596   8.169  20.429
  155   1HG   ARG  23           HG2      ARG  23  -5.326   6.282  19.861
  156   2HG   ARG  23           HG3      ARG  23  -4.153   7.208  18.919
  157   1HD   ARG  23           HD2      ARG  23  -3.325   8.277  21.003
  158   2HD   ARG  23           HD3      ARG  23  -4.394   7.222  21.948
  159    HE   ARG  23           HNE      ARG  23  -2.623   5.802  20.087
  160   1HH1  ARG  23          HN12      ARG  23  -2.391   7.657  23.073
  161   2HH1  ARG  23          HN11      ARG  23  -1.149   6.668  23.768
  162   1HH2  ARG  23          HN21      ARG  23  -0.993   4.450  21.005
  163   2HH2  ARG  23          HN22      ARG  23  -0.251   4.870  22.505
  164    H    GLY  24           HN       GLY  24  -4.779   7.701  16.482
  165   1HA   GLY  24           HA2      GLY  24  -3.156   8.507  15.045
  166   2HA   GLY  24           HA3      GLY  24  -3.470  10.161  15.567
  167    H    LYS  25           HN       LYS  25  -2.483   7.499  17.669
  168    HA   LYS  25           HA       LYS  25   0.253   7.984  17.223
  169   1HB   LYS  25           HB2      LYS  25   0.118   7.536  20.113
  170   2HB   LYS  25           HB3      LYS  25   1.248   8.331  19.135
  171   1HG   LYS  25           HG2      LYS  25  -0.260  10.295  18.709
  172   2HG   LYS  25           HG3      LYS  25  -1.269   9.664  20.037
  173   1HD   LYS  25           HD2      LYS  25   0.827   9.604  21.429
  174   2HD   LYS  25           HD3      LYS  25   1.732  10.323  20.103
  175   1HE   LYS  25           HE2      LYS  25   1.224  12.131  21.599
  176   2HE   LYS  25           HE3      LYS  25   0.260  12.338  20.128
  177   1HZ   LYS  25          HNZ2      LYS  25  -1.613  11.318  21.396
  178   2HZ   LYS  25          HNZ3      LYS  25  -0.719  11.245  22.700
  179   3HZ   LYS  25          HNZ1      LYS  25  -1.094  12.720  22.080
  180    H    CYS  26           HN       CYS  26   1.016   5.969  17.388
  181    HA   CYS  26           HA       CYS  26  -0.211   3.931  16.582
  182   1HB   CYS  26           HB2      CYS  26   2.450   3.187  17.626
  183   2HB   CYS  26           HB3      CYS  26   1.326   2.457  18.583
  184   1H    NH2  27          HN11      CYS  26  -1.711   2.153  16.935
  185   2H    NH2  27          HN12      CYS  26  -2.489   1.982  18.488
   
  No H/Q in entry =         185
  Start of MODEL           9
 Raw file had  192 H/Q atoms
  Start of MODEL    9
    1   1H    CYS   1           HN1      CYS   1  10.165  -0.506  10.643
    2   2H    CYS   1           HN3      CYS   1   9.890  -1.882  11.515
    3   3H    CYS   1           HN2      CYS   1   9.666  -1.781   9.848
    4    HA   CYS   1           HA       CYS   1   7.921  -0.225  10.080
    5   1HB   CYS   1           HB2      CYS   1   6.154  -1.674  11.168
    6   2HB   CYS   1           HB3      CYS   1   7.219  -2.560  10.218
    7    H    LYS   2           HN       LYS   2   6.278   0.543  11.642
    8    HA   LYS   2           HA       LYS   2   7.598   2.151  13.754
    9   1HB   LYS   2           HB3      LYS   2   5.743   2.615  11.773
   10   2HB   LYS   2           HB2      LYS   2   4.688   2.208  13.065
   11   1HG   LYS   2           HG2      LYS   2   4.720   4.397  13.406
   12   2HG   LYS   2           HG3      LYS   2   6.131   4.009  14.412
   13   1HD   LYS   2           HD2      LYS   2   7.690   4.729  12.843
   14   2HD   LYS   2           HD3      LYS   2   6.641   4.478  11.456
   15   1HE   LYS   2           HE2      LYS   2   6.315   6.704  13.516
   16   2HE   LYS   2           HE3      LYS   2   7.028   6.890  11.907
   17   1HZ   LYS   2          HNZ2      LYS   2   4.227   5.998  12.342
   18   2HZ   LYS   2          HNZ3      LYS   2   4.640   7.532  12.132
   19   3HZ   LYS   2          HNZ1      LYS   2   4.828   6.383  10.933
   20    H    GLY   3           HN       GLY   3   5.937   2.447  15.675
   21   1HA   GLY   3           HA2      GLY   3   4.474   0.132  16.400
   22   2HA   GLY   3           HA3      GLY   3   5.936   0.022  17.369
   23    H    LYS   4           HN       LYS   4   4.761   0.286  19.273
   24    HA   LYS   4           HA       LYS   4   2.332   1.614  19.209
   25   1HB   LYS   4           HB2      LYS   4   2.717  -0.255  20.885
   26   2HB   LYS   4           HB3      LYS   4   3.877   0.776  21.753
   27   1HG   LYS   4           HG2      LYS   4   2.172   2.230  22.524
   28   2HG   LYS   4           HG3      LYS   4   0.963   1.514  21.422
   29   1HD   LYS   4           HD2      LYS   4   0.874  -0.517  22.655
   30   2HD   LYS   4           HD3      LYS   4   2.385  -0.172  23.510
   31   1HE   LYS   4           HE2      LYS   4   0.422   0.127  24.995
   32   2HE   LYS   4           HE3      LYS   4   1.364   1.612  24.797
   33   1HZ   LYS   4          HNZ3      LYS   4  -0.261   2.336  23.168
   34   2HZ   LYS   4          HNZ1      LYS   4  -1.204   1.067  23.408
   35   3HZ   LYS   4          HNZ2      LYS   4  -0.887   2.177  24.622
   36    H    GLY   5           HN       GLY   5   1.334   3.415  19.945
   37   1HA   GLY   5           HA2      GLY   5   1.171   5.557  19.809
   38   2HA   GLY   5           HA3      GLY   5   2.109   5.716  21.241
   39    H    ALA   6           HN       ALA   6   3.626   4.443  18.172
   40    HA   ALA   6           HA       ALA   6   5.256   6.797  17.931
   41   1HB   ALA   6           HB2      ALA   6   5.795   4.536  17.137
   42   2HB   ALA   6           HB3      ALA   6   4.456   4.650  15.958
   43   3HB   ALA   6           HB1      ALA   6   5.869   5.744  15.822
   44    HA   PRO   7           HA       PRO   7   2.260   9.475  16.030
   45   1HB   PRO   7           HB2      PRO   7   3.767  11.198  14.536
   46   2HB   PRO   7           HB3      PRO   7   3.680  11.218  16.315
   47   1HG   PRO   7           HG3      PRO   7   5.789   9.873  14.582
   48   2HG   PRO   7           HG2      PRO   7   6.102  10.922  15.993
   49   1HD   PRO   7           HD3      PRO   7   6.138   8.232  16.217
   50   2HD   PRO   7           HD2      PRO   7   5.387   9.212  17.508
   51    H    CYS   8           HN       CYS   8   0.877   9.147  14.331
   52    HA   CYS   8           HA       CYS   8   1.810   7.541  11.996
   53   1HB   CYS   8           HB2      CYS   8   0.223   5.921  12.729
   54   2HB   CYS   8           HB3      CYS   8   0.576   6.670  14.235
   55    H    ARG   9           HN       ARG   9  -0.120   7.053  10.644
   56    HA   ARG   9           HA       ARG   9  -1.366   9.517   9.600
   57   1HB   ARG   9           HB2      ARG   9   0.343   7.491   8.083
   58   2HB   ARG   9           HB3      ARG   9  -0.147   9.116   7.598
   59   1HG   ARG   9           HG2      ARG   9   1.402  10.070   9.327
   60   2HG   ARG   9           HG3      ARG   9   1.896   8.453   9.774
   61   1HD   ARG   9           HD2      ARG   9   2.245   9.291   6.912
   62   2HD   ARG   9           HD3      ARG   9   3.454   9.538   8.168
   63    HE   ARG   9           HNE      ARG   9   3.468   7.159   8.696
   64   1HH1  ARG   9          HN21      ARG   9   1.809   7.756   5.590
   65   2HH1  ARG   9          HN22      ARG   9   1.547   6.036   5.392
   66   1HH2  ARG   9          HN11      ARG   9   3.397   5.195   8.250
   67   2HH2  ARG   9          HN12      ARG   9   2.700   4.474   6.798
   68    H    LYS  10           HN       LYS  10  -3.404   8.419  10.371
   69    HA   LYS  10           HA       LYS  10  -3.457   5.635  11.031
   70   1HB   LYS  10           HB2      LYS  10  -5.952   7.214  10.368
   71   2HB   LYS  10           HB3      LYS  10  -5.771   5.771  11.371
   72   1HG   LYS  10           HG2      LYS  10  -5.702   7.123  13.122
   73   2HG   LYS  10           HG3      LYS  10  -4.062   7.453  12.656
   74   1HD   LYS  10           HD2      LYS  10  -4.827   9.605  12.867
   75   2HD   LYS  10           HD3      LYS  10  -5.183   9.383  11.151
   76   1HE   LYS  10           HE2      LYS  10  -7.075   9.075  13.528
   77   2HE   LYS  10           HE3      LYS  10  -7.087  10.414  12.376
   78   1HZ   LYS  10          HNZ1      LYS  10  -7.630   7.602  11.665
   79   2HZ   LYS  10          HNZ2      LYS  10  -8.774   8.678  12.064
   80   3HZ   LYS  10          HNZ3      LYS  10  -7.946   8.949  10.725
   81    H    THR  11           HN       THR  11  -5.611   6.385   8.538
   82    HA   THR  11           HA       THR  11  -5.576   3.820   7.377
   83    HB   THR  11           HB       THR  11  -6.463   5.153   5.306
   84    HG1  THR  11           HOG      THR  11  -5.482   7.153   5.934
   85   1HG2  THR  11           HG3      THR  11  -7.772   5.478   8.050
   86   2HG2  THR  11           HG1      THR  11  -8.581   5.652   6.479
   87   3HG2  THR  11           HG2      THR  11  -7.937   4.074   6.972
   88    H    MET  12           HN       MET  12  -3.005   6.186   6.993
   89    HA   MET  12           HA       MET  12  -2.359   5.130   4.320
   90   1HB   MET  12           HB2      MET  12  -0.718   7.246   5.905
   91   2HB   MET  12           HB3      MET  12  -0.589   6.916   4.223
   92   1HG   MET  12           HG2      MET  12  -1.750   9.049   4.550
   93   2HG   MET  12           HG3      MET  12  -2.952   7.939   3.929
   94   1HE   MET  12           HE1      MET  12  -4.786   9.673   4.542
   95   2HE   MET  12           HE2      MET  12  -4.940  10.440   6.140
   96   3HE   MET  12           HE3      MET  12  -3.527  10.797   5.118
   97    H    TYR  13           HN       TYR  13  -2.178   3.250   6.382
   98    HA   TYR  13           HA       TYR  13  -0.763   1.345   6.812
   99   1HB   TYR  13           HB2      TYR  13   0.002   2.313   4.235
  100   2HB   TYR  13           HB3      TYR  13   1.060   1.220   5.167
  101    HD1  TYR  13           HD1      TYR  13  -2.486   1.722   4.593
  102    HD2  TYR  13           HD2      TYR  13   0.607  -1.227   4.739
  103    HE1  TYR  13           HE1      TYR  13  -4.220  -0.062   4.458
  104    HE2  TYR  13           HE2      TYR  13  -1.057  -3.001   4.464
  105    HH   TYR  13           HOH      TYR  13  -4.563  -2.357   4.233
  106    H    ASP  14           HN       ASP  14  -0.242   2.920   8.841
  107    HA   ASP  14           HA       ASP  14   2.699   3.483   8.888
  108   1HB   ASP  14           HB2      ASP  14   0.966   5.239   9.350
  109   2HB   ASP  14           HB3      ASP  14   0.678   4.319  10.831
  110    H    CYS  15           HN       CYS  15   0.684   1.248  10.640
  111    HA   CYS  15           HA       CYS  15   2.800   0.981  12.731
  112   1HB   CYS  15           HB2      CYS  15   0.217  -0.218  12.675
  113   2HB   CYS  15           HB3      CYS  15   1.138   0.003  14.117
  114    H    CYS  16           HN       CYS  16   3.653  -1.045  13.033
  115    HA   CYS  16           HA       CYS  16   4.276  -2.889  11.085
  116   1HB   CYS  16           HB2      CYS  16   4.588  -2.656  14.006
  117   2HB   CYS  16           HB3      CYS  16   4.136  -4.220  13.717
  118    H    SER  17           HN       SER  17   1.461  -2.917  13.004
  119    HA   SER  17           HA       SER  17   0.424  -5.633  12.568
  120   1HB   SER  17           HB2      SER  17   0.942  -6.424  14.803
  121   2HB   SER  17           HB3      SER  17   2.375  -6.225  13.786
  122    HG   SER  17           HOG      SER  17   2.738  -5.310  15.834
  123    H    GLY  18           HN       GLY  18   0.477  -4.043  15.380
  124   1HA   GLY  18           HA2      GLY  18  -2.445  -3.746  15.745
  125   2HA   GLY  18           HA3      GLY  18  -1.199  -3.096  16.844
  126    H    SER  19           HN       SER  19  -3.375  -1.396  15.885
  127    HA   SER  19           HA       SER  19  -2.188   0.074  13.548
  128   1HB   SER  19           HB2      SER  19  -4.887   0.016  13.050
  129   2HB   SER  19           HB3      SER  19  -3.822  -1.349  12.715
  130    HG   SER  19           HOG      SER  19  -5.674  -1.973  13.895
  131    H    CYS  20           HN       CYS  20  -2.967   2.300  13.208
  132    HA   CYS  20           HA       CYS  20  -2.917   3.676  15.667
  133   1HB   CYS  20           HB2      CYS  20  -1.969   4.392  13.332
  134   2HB   CYS  20           HB3      CYS  20  -3.585   5.039  13.084
  135    H    GLY  21           HN       GLY  21  -4.692   2.832  16.724
  136   1HA   GLY  21           HA2      GLY  21  -7.553   3.237  16.401
  137   2HA   GLY  21           HA3      GLY  21  -6.607   3.304  17.849
  138    H    ARG  22           HN       ARG  22  -7.098   5.832  15.107
  139    HA   ARG  22           HA       ARG  22  -8.199   7.732  15.288
  140   1HB   ARG  22           HB2      ARG  22  -8.631   7.188  18.247
  141   2HB   ARG  22           HB3      ARG  22  -9.291   8.528  17.352
  142   1HG   ARG  22           HG2      ARG  22  -9.888   5.629  16.588
  143   2HG   ARG  22           HG3      ARG  22 -10.784   6.537  17.802
  144   1HD   ARG  22           HD2      ARG  22 -12.110   6.901  15.975
  145   2HD   ARG  22           HD3      ARG  22 -11.111   8.362  15.989
  146    HE   ARG  22           HNE      ARG  22 -10.008   6.191  14.352
  147   1HH1  ARG  22          HN22      ARG  22 -12.013   9.123  14.260
  148   2HH1  ARG  22          HN21      ARG  22 -11.818   9.247  12.526
  149   1HH2  ARG  22          HN12      ARG  22 -10.195   6.209  12.109
  150   2HH2  ARG  22          HN11      ARG  22 -10.993   7.545  11.306
  151    H    ARG  23           HN       ARG  23  -6.145   7.413  18.196
  152    HA   ARG  23           HA       ARG  23  -6.005  10.166  18.643
  153   1HB   ARG  23           HB2      ARG  23  -4.479   9.627  20.419
  154   2HB   ARG  23           HB3      ARG  23  -5.727   8.377  20.314
  155   1HG   ARG  23           HG2      ARG  23  -4.071   6.972  18.960
  156   2HG   ARG  23           HG3      ARG  23  -2.852   8.223  19.326
  157   1HD   ARG  23           HD2      ARG  23  -3.263   7.877  21.739
  158   2HD   ARG  23           HD3      ARG  23  -4.328   6.520  21.352
  159    HE   ARG  23           HNE      ARG  23  -2.166   5.748  19.982
  160   1HH1  ARG  23          HN11      ARG  23  -1.749   7.470  23.064
  161   2HH1  ARG  23          HN12      ARG  23  -0.931   6.122  23.838
  162   1HH2  ARG  23          HN22      ARG  23  -0.869   4.059  21.026
  163   2HH2  ARG  23          HN21      ARG  23  -0.158   4.461  22.577
  164    H    GLY  24           HN       GLY  24  -4.484   8.852  16.026
  165   1HA   GLY  24           HA2      GLY  24  -2.881   9.713  14.624
  166   2HA   GLY  24           HA3      GLY  24  -2.693  11.135  15.665
  167    H    LYS  25           HN       LYS  25  -2.289   8.151  17.304
  168    HA   LYS  25           HA       LYS  25   0.551   7.976  16.758
  169   1HB   LYS  25           HB2      LYS  25   0.122   7.694  19.606
  170   2HB   LYS  25           HB3      LYS  25   1.475   8.272  18.696
  171   1HG   LYS  25           HG2      LYS  25   0.345  10.414  18.118
  172   2HG   LYS  25           HG3      LYS  25  -0.846   9.998  19.378
  173   1HD   LYS  25           HD2      LYS  25   1.175   9.600  20.908
  174   2HD   LYS  25           HD3      LYS  25   2.197  10.280  19.642
  175   1HE   LYS  25           HE2      LYS  25   1.797  12.103  21.117
  176   2HE   LYS  25           HE3      LYS  25   0.755  12.393  19.712
  177   1HZ   LYS  25          HNZ1      LYS  25  -1.046  11.320  21.081
  178   2HZ   LYS  25          HNZ2      LYS  25  -0.061  11.255  22.316
  179   3HZ   LYS  25          HNZ3      LYS  25  -0.496  12.735  21.736
  180    H    CYS  26           HN       CYS  26   1.039   5.902  16.959
  181    HA   CYS  26           HA       CYS  26  -0.977   4.117  16.263
  182   1HB   CYS  26           HB2      CYS  26   1.812   2.834  16.625
  183   2HB   CYS  26           HB3      CYS  26   0.610   2.094  17.311
  184   1H    NH2  27          HN11      CYS  26  -2.367   2.365  17.311
  185   2H    NH2  27          HN12      CYS  26  -2.358   2.299  19.070
   
  No H/Q in entry =         185
  Start of MODEL          10
 Raw file had  192 H/Q atoms
  Start of MODEL   10
    1   1H    CYS   1           HN2      CYS   1   7.803   0.632   8.800
    2   2H    CYS   1           HN3      CYS   1   8.140  -0.987   8.696
    3   3H    CYS   1           HN1      CYS   1   6.826  -0.265   7.920
    4    HA   CYS   1           HA       CYS   1   5.682   0.186   9.850
    5   1HB   CYS   1           HB2      CYS   1   5.048  -1.688  10.668
    6   2HB   CYS   1           HB3      CYS   1   5.928  -2.396   9.423
    7    H    LYS   2           HN       LYS   2   6.313  -0.731  12.416
    8    HA   LYS   2           HA       LYS   2   7.827   1.695  13.350
    9   1HB   LYS   2           HB2      LYS   2   5.158   1.733  12.390
   10   2HB   LYS   2           HB3      LYS   2   4.865   1.242  13.932
   11   1HG   LYS   2           HG2      LYS   2   4.561   3.595  13.867
   12   2HG   LYS   2           HG3      LYS   2   6.120   3.503  14.692
   13   1HD   LYS   2           HD2      LYS   2   7.284   3.661  12.527
   14   2HD   LYS   2           HD3      LYS   2   5.762   3.654  11.657
   15   1HE   LYS   2           HE2      LYS   2   6.465   5.799  13.739
   16   2HE   LYS   2           HE3      LYS   2   6.825   5.989  12.019
   17   1HZ   LYS   2          HNZ1      LYS   2   4.055   5.432  12.889
   18   2HZ   LYS   2          HNZ2      LYS   2   4.634   6.977  12.804
   19   3HZ   LYS   2          HNZ3      LYS   2   4.546   5.930  11.493
   20    H    GLY   3           HN       GLY   3   6.734   2.073  15.578
   21   1HA   GLY   3           HA2      GLY   3   5.102   0.021  16.443
   22   2HA   GLY   3           HA3      GLY   3   6.450  -0.244  17.471
   23    H    LYS   4           HN       LYS   4   5.053   0.408  19.283
   24    HA   LYS   4           HA       LYS   4   2.900   1.849  18.867
   25   1HB   LYS   4           HB2      LYS   4   4.190   1.245  21.637
   26   2HB   LYS   4           HB3      LYS   4   2.509   1.332  21.303
   27   1HG   LYS   4           HG2      LYS   4   4.323  -0.911  20.417
   28   2HG   LYS   4           HG3      LYS   4   3.036  -0.937  21.604
   29   1HD   LYS   4           HD2      LYS   4   1.308  -0.665  19.940
   30   2HD   LYS   4           HD3      LYS   4   2.500  -0.351  18.667
   31   1HE   LYS   4           HE2      LYS   4   3.457  -2.626  19.002
   32   2HE   LYS   4           HE3      LYS   4   2.123  -3.016  20.106
   33   1HZ   LYS   4          HNZ1      LYS   4   1.684  -2.025  17.378
   34   2HZ   LYS   4          HNZ2      LYS   4   1.998  -3.584  17.601
   35   3HZ   LYS   4          HNZ3      LYS   4   0.635  -2.947  18.235
   36    H    GLY   5           HN       GLY   5   1.784   3.419  19.845
   37   1HA   GLY   5           HA2      GLY   5   1.241   5.487  19.642
   38   2HA   GLY   5           HA3      GLY   5   2.002   5.726  21.157
   39    H    ALA   6           HN       ALA   6   4.048   5.010  18.380
   40    HA   ALA   6           HA       ALA   6   5.344   7.503  18.155
   41   1HB   ALA   6           HB3      ALA   6   6.089   5.290  17.312
   42   2HB   ALA   6           HB1      ALA   6   4.761   5.292  16.137
   43   3HB   ALA   6           HB2      ALA   6   6.068   6.503  16.002
   44    HA   PRO   7           HA       PRO   7   2.049   9.690  15.939
   45   1HB   PRO   7           HB2      PRO   7   4.091  11.199  14.383
   46   2HB   PRO   7           HB3      PRO   7   2.844  11.833  15.472
   47   1HG   PRO   7           HG2      PRO   7   5.632  11.749  16.096
   48   2HG   PRO   7           HG3      PRO   7   4.385  11.877  17.305
   49   1HD   PRO   7           HD3      PRO   7   5.950   9.462  16.545
   50   2HD   PRO   7           HD2      PRO   7   5.032   9.804  18.037
   51    H    CYS   8           HN       CYS   8   0.997   9.272  14.052
   52    HA   CYS   8           HA       CYS   8   2.249   7.509  12.010
   53   1HB   CYS   8           HB2      CYS   8   0.525   5.886  12.653
   54   2HB   CYS   8           HB3      CYS   8   1.534   6.331  13.980
   55    H    ARG   9           HN       ARG   9   0.634   6.851  10.437
   56    HA   ARG   9           HA       ARG   9  -0.330   9.363   9.241
   57   1HB   ARG   9           HB2      ARG   9   0.939   6.889   8.010
   58   2HB   ARG   9           HB3      ARG   9   0.744   8.502   7.311
   59   1HG   ARG   9           HG2      ARG   9   2.311   9.419   9.056
   60   2HG   ARG   9           HG3      ARG   9   2.525   7.839   9.721
   61   1HD   ARG   9           HD2      ARG   9   3.095   8.074   6.786
   62   2HD   ARG   9           HD3      ARG   9   4.309   8.522   8.008
   63    HE   ARG   9           HNE      ARG   9   3.421   6.141   8.976
   64   1HH1  ARG   9          HN21      ARG   9   4.855   6.844   5.810
   65   2HH1  ARG   9          HN22      ARG   9   5.631   5.278   5.749
   66   1HH2  ARG   9          HN11      ARG   9   4.378   4.332   8.938
   67   2HH2  ARG   9          HN12      ARG   9   5.348   3.731   7.601
   68    H    LYS  10           HN       LYS  10  -2.700   9.135   9.340
   69    HA   LYS  10           HA       LYS  10  -3.583   6.648  10.440
   70   1HB   LYS  10           HB2      LYS  10  -4.611   9.226  10.354
   71   2HB   LYS  10           HB3      LYS  10  -5.813   8.210   9.550
   72   1HG   LYS  10           HG2      LYS  10  -5.651   6.631  11.541
   73   2HG   LYS  10           HG3      LYS  10  -4.689   7.862  12.417
   74   1HD   LYS  10           HD2      LYS  10  -6.517   9.515  11.840
   75   2HD   LYS  10           HD3      LYS  10  -7.484   8.105  11.345
   76   1HE   LYS  10           HE2      LYS  10  -6.248   8.622  14.110
   77   2HE   LYS  10           HE3      LYS  10  -7.967   8.777  13.727
   78   1HZ   LYS  10          HNZ2      LYS  10  -6.486   6.211  13.518
   79   2HZ   LYS  10          HNZ3      LYS  10  -7.272   6.674  14.836
   80   3HZ   LYS  10          HNZ1      LYS  10  -8.100   6.408  13.453
   81    H    THR  11           HN       THR  11  -4.987   7.663   7.559
   82    HA   THR  11           HA       THR  11  -5.943   5.095   6.871
   83    HB   THR  11           HB       THR  11  -5.964   6.132   4.474
   84    HG1  THR  11           HOG      THR  11  -4.315   7.703   4.985
   85   1HG2  THR  11           HG1      THR  11  -7.310   7.550   6.825
   86   2HG2  THR  11           HG2      THR  11  -7.811   7.650   5.126
   87   3HG2  THR  11           HG3      THR  11  -7.921   6.105   5.990
   88    H    MET  12           HN       MET  12  -2.578   6.064   6.775
   89    HA   MET  12           HA       MET  12  -2.091   4.373   4.403
   90   1HB   MET  12           HB2      MET  12   0.039   6.020   5.962
   91   2HB   MET  12           HB3      MET  12   0.207   5.383   4.380
   92   1HG   MET  12           HG2      MET  12  -0.100   7.807   4.234
   93   2HG   MET  12           HG3      MET  12  -1.571   7.108   3.591
   94   1HE   MET  12           HE1      MET  12  -2.670   9.478   3.680
   95   2HE   MET  12           HE2      MET  12  -2.648  10.524   5.118
   96   3HE   MET  12           HE3      MET  12  -1.129  10.148   4.272
   97    H    TYR  13           HN       TYR  13  -2.909   2.984   6.667
   98    HA   TYR  13           HA       TYR  13  -2.188   1.363   8.370
   99   1HB   TYR  13           HB2      TYR  13  -2.077   0.421   5.736
  100   2HB   TYR  13           HB3      TYR  13  -1.023  -0.375   6.911
  101    HD1  TYR  13           HD1      TYR  13  -4.371   1.039   6.687
  102    HD2  TYR  13           HD2      TYR  13  -2.031  -2.131   8.413
  103    HE1  TYR  13           HE1      TYR  13  -6.326   0.353   8.093
  104    HE2  TYR  13           HE2      TYR  13  -3.895  -2.724   9.857
  105    HH   TYR  13           HOH      TYR  13  -5.784  -1.391  10.925
  106    H    ASP  14           HN       ASP  14  -0.636   3.259   9.210
  107    HA   ASP  14           HA       ASP  14   2.205   3.088   8.687
  108   1HB   ASP  14           HB2      ASP  14   1.080   5.038   9.529
  109   2HB   ASP  14           HB3      ASP  14   0.568   4.102  10.940
  110    H    CYS  15           HN       CYS  15   0.331   1.040  10.749
  111    HA   CYS  15           HA       CYS  15   2.651   0.778  12.499
  112   1HB   CYS  15           HB2      CYS  15   0.084  -0.466  13.267
  113   2HB   CYS  15           HB3      CYS  15   1.126   0.137  14.358
  114    H    CYS  16           HN       CYS  16   3.467  -1.123  13.335
  115    HA   CYS  16           HA       CYS  16   3.594  -3.208  11.334
  116   1HB   CYS  16           HB2      CYS  16   5.004  -2.554  13.906
  117   2HB   CYS  16           HB3      CYS  16   4.556  -4.157  13.882
  118    H    SER  17           HN       SER  17   1.848  -2.950  14.495
  119    HA   SER  17           HA       SER  17   0.452  -5.559  14.095
  120   1HB   SER  17           HB2      SER  17   1.267  -6.236  16.281
  121   2HB   SER  17           HB3      SER  17   2.300  -5.985  14.846
  122    HG   SER  17           HOG      SER  17   3.072  -4.014  15.832
  123    H    GLY  18           HN       GLY  18  -0.807  -3.498  13.722
  124   1HA   GLY  18           HA2      GLY  18  -3.138  -3.209  15.139
  125   2HA   GLY  18           HA3      GLY  18  -2.017  -2.096  15.976
  126    H    SER  19           HN       SER  19  -3.550  -0.337  14.937
  127    HA   SER  19           HA       SER  19  -1.860   0.630  12.711
  128   1HB   SER  19           HB2      SER  19  -4.233   1.048  11.363
  129   2HB   SER  19           HB3      SER  19  -3.260  -0.417  11.206
  130    HG   SER  19           HOG      SER  19  -5.177  -0.317  13.239
  131    H    CYS  20           HN       CYS  20  -2.105   2.937  12.357
  132    HA   CYS  20           HA       CYS  20  -2.130   4.713  14.386
  133   1HB   CYS  20           HB2      CYS  20  -1.630   4.978  11.954
  134   2HB   CYS  20           HB3      CYS  20  -3.372   5.193  11.760
  135    H    GLY  21           HN       GLY  21  -3.544   4.112  15.960
  136   1HA   GLY  21           HA2      GLY  21  -6.356   3.609  15.253
  137   2HA   GLY  21           HA3      GLY  21  -5.441   3.217  16.707
  138    H    ARG  22           HN       ARG  22  -7.695   4.101  18.020
  139    HA   ARG  22           HA       ARG  22  -8.858   6.534  17.207
  140   1HB   ARG  22           HB2      ARG  22  -9.013   4.755  19.677
  141   2HB   ARG  22           HB3      ARG  22  -9.940   6.231  19.508
  142   1HG   ARG  22           HG2      ARG  22 -11.224   4.183  18.940
  143   2HG   ARG  22           HG3      ARG  22 -11.213   5.434  17.700
  144   1HD   ARG  22           HD2      ARG  22 -11.061   3.209  16.701
  145   2HD   ARG  22           HD3      ARG  22  -9.653   4.205  16.350
  146    HE   ARG  22           HNE      ARG  22  -9.203   2.566  18.691
  147   1HH1  ARG  22          HN11      ARG  22  -8.938   2.602  15.145
  148   2HH1  ARG  22          HN12      ARG  22  -7.889   1.221  15.103
  149   1HH2  ARG  22          HN22      ARG  22  -7.671   0.966  18.604
  150   2HH2  ARG  22          HN21      ARG  22  -7.133   0.248  17.113
  151    H    ARG  23           HN       ARG  23  -6.309   5.635  19.429
  152    HA   ARG  23           HA       ARG  23  -6.020   7.984  20.929
  153   1HB   ARG  23           HB2      ARG  23  -3.698   7.217  21.259
  154   2HB   ARG  23           HB3      ARG  23  -4.879   5.942  21.511
  155   1HG   ARG  23           HG2      ARG  23  -3.882   6.044  18.721
  156   2HG   ARG  23           HG3      ARG  23  -2.593   5.803  19.906
  157   1HD   ARG  23           HD2      ARG  23  -3.641   3.805  20.765
  158   2HD   ARG  23           HD3      ARG  23  -5.099   4.101  19.810
  159    HE   ARG  23           HNE      ARG  23  -2.741   3.959  18.151
  160   1HH1  ARG  23          HN22      ARG  23  -5.246   1.941  19.740
  161   2HH1  ARG  23          HN21      ARG  23  -4.924   0.576  18.700
  162   1HH2  ARG  23          HN11      ARG  23  -2.625   2.114  16.653
  163   2HH2  ARG  23          HN12      ARG  23  -3.503   0.685  17.045
  164    H    GLY  24           HN       GLY  24  -5.388   7.576  17.501
  165   1HA   GLY  24           HA2      GLY  24  -4.640   9.135  15.932
  166   2HA   GLY  24           HA3      GLY  24  -4.567  10.363  17.197
  167    H    LYS  25           HN       LYS  25  -2.813   7.267  17.107
  168    HA   LYS  25           HA       LYS  25  -0.156   8.269  16.817
  169   1HB   LYS  25           HB2      LYS  25  -0.436   7.187  19.571
  170   2HB   LYS  25           HB3      LYS  25   0.742   8.322  18.975
  171   1HG   LYS  25           HG2      LYS  25  -0.919  10.147  18.891
  172   2HG   LYS  25           HG3      LYS  25  -2.069   8.987  19.622
  173   1HD   LYS  25           HD2      LYS  25  -0.292   8.613  21.376
  174   2HD   LYS  25           HD3      LYS  25   0.551  10.027  20.738
  175   1HE   LYS  25           HE2      LYS  25  -0.886  10.636  22.702
  176   2HE   LYS  25           HE3      LYS  25  -1.382  11.491  21.231
  177   1HZ   LYS  25          HNZ2      LYS  25  -2.700   9.052  22.266
  178   2HZ   LYS  25          HNZ3      LYS  25  -3.240  10.497  22.577
  179   3HZ   LYS  25          HNZ1      LYS  25  -3.255   9.968  21.026
  180    H    CYS  26           HN       CYS  26   1.093   6.375  16.896
  181    HA   CYS  26           HA       CYS  26   0.411   4.767  15.109
  182   1HB   CYS  26           HB2      CYS  26   2.746   3.669  16.679
  183   2HB   CYS  26           HB3      CYS  26   1.517   2.533  16.662
  184   1H    NH2  27          HN11      CYS  26  -1.059   2.406  18.235
  185   2H    NH2  27          HN12      CYS  26   0.297   3.481  18.343
   
  No H/Q in entry =         185
  Start of MODEL          11
 Raw file had  192 H/Q atoms
  Start of MODEL   11
    1   1H    CYS   1           HN3      CYS   1   9.494  -0.385  10.072
    2   2H    CYS   1           HN1      CYS   1   9.074  -0.314   8.462
    3   3H    CYS   1           HN2      CYS   1   9.553   1.045   9.294
    4    HA   CYS   1           HA       CYS   1   7.210   1.144   9.098
    5   1HB   CYS   1           HB2      CYS   1   5.824  -0.616  10.146
    6   2HB   CYS   1           HB3      CYS   1   6.685  -1.170   8.843
    7    H    LYS   2           HN       LYS   2   5.758   1.511  11.012
    8    HA   LYS   2           HA       LYS   2   7.387   2.714  13.203
    9   1HB   LYS   2           HB3      LYS   2   5.061   3.494  11.786
   10   2HB   LYS   2           HB2      LYS   2   4.387   2.805  13.151
   11   1HG   LYS   2           HG2      LYS   2   4.632   4.958  13.881
   12   2HG   LYS   2           HG3      LYS   2   6.083   4.242  14.581
   13   1HD   LYS   2           HD2      LYS   2   7.514   5.387  13.290
   14   2HD   LYS   2           HD3      LYS   2   6.636   5.025  11.810
   15   1HE   LYS   2           HE2      LYS   2   5.908   7.213  13.785
   16   2HE   LYS   2           HE3      LYS   2   6.697   7.458  12.220
   17   1HZ   LYS   2          HNZ1      LYS   2   4.049   6.157  12.452
   18   2HZ   LYS   2          HNZ2      LYS   2   4.239   7.779  12.330
   19   3HZ   LYS   2          HNZ3      LYS   2   4.672   6.691  11.112
   20    H    GLY   3           HN       GLY   3   6.141   2.604  15.412
   21   1HA   GLY   3           HA2      GLY   3   3.916   1.013  15.581
   22   2HA   GLY   3           HA3      GLY   3   5.058  -0.098  16.189
   23    H    LYS   4           HN       LYS   4   5.155   0.248  18.429
   24    HA   LYS   4           HA       LYS   4   3.025   1.519  19.447
   25   1HB   LYS   4           HB2      LYS   4   4.155  -0.381  20.742
   26   2HB   LYS   4           HB3      LYS   4   5.396   0.783  21.221
   27   1HG   LYS   4           HG2      LYS   4   3.946   0.359  23.035
   28   2HG   LYS   4           HG3      LYS   4   3.599   1.995  22.519
   29   1HD   LYS   4           HD2      LYS   4   1.576   0.997  21.222
   30   2HD   LYS   4           HD3      LYS   4   1.966  -0.556  21.973
   31   1HE   LYS   4           HE2      LYS   4   1.570   0.321  24.201
   32   2HE   LYS   4           HE3      LYS   4   1.494   1.985  23.607
   33   1HZ   LYS   4          HNZ1      LYS   4  -0.571  -0.044  22.961
   34   2HZ   LYS   4          HNZ2      LYS   4  -0.655   1.194  24.051
   35   3HZ   LYS   4          HNZ3      LYS   4  -0.539   1.494  22.489
   36    H    GLY   5           HN       GLY   5   2.462   3.077  20.870
   37   1HA   GLY   5           HA2      GLY   5   1.563   5.064  20.331
   38   2HA   GLY   5           HA3      GLY   5   2.566   5.559  21.592
   39    H    ALA   6           HN       ALA   6   3.756   4.551  18.313
   40    HA   ALA   6           HA       ALA   6   5.217   7.018  18.168
   41   1HB   ALA   6           HB1      ALA   6   5.862   4.816  17.357
   42   2HB   ALA   6           HB2      ALA   6   4.567   4.937  16.132
   43   3HB   ALA   6           HB3      ALA   6   5.953   6.078  16.095
   44    HA   PRO   7           HA       PRO   7   1.950   9.632  16.304
   45   1HB   PRO   7           HB2      PRO   7   4.416  10.857  15.041
   46   2HB   PRO   7           HB3      PRO   7   2.976  11.682  15.706
   47   1HG   PRO   7           HG3      PRO   7   5.221  11.508  17.204
   48   2HG   PRO   7           HG2      PRO   7   3.641  11.132  17.955
   49   1HD   PRO   7           HD3      PRO   7   5.717   9.187  16.914
   50   2HD   PRO   7           HD2      PRO   7   4.772   9.155  18.438
   51    H    CYS   8           HN       CYS   8   0.736   8.951  14.546
   52    HA   CYS   8           HA       CYS   8   2.048   7.790  12.148
   53   1HB   CYS   8           HB2      CYS   8   0.756   5.699  12.704
   54   2HB   CYS   8           HB3      CYS   8   1.917   6.109  13.944
   55    H    ARG   9           HN       ARG   9   0.653   6.925  10.630
   56    HA   ARG   9           HA       ARG   9  -1.213   9.056   9.895
   57   1HB   ARG   9           HB2      ARG   9   0.758   7.334   8.392
   58   2HB   ARG   9           HB3      ARG   9  -0.349   8.537   7.745
   59   1HG   ARG   9           HG2      ARG   9   0.706  10.100   9.669
   60   2HG   ARG   9           HG3      ARG   9   2.026   8.955   9.606
   61   1HD   ARG   9           HD2      ARG   9   2.456  10.843   8.076
   62   2HD   ARG   9           HD3      ARG   9   2.087   9.443   7.058
   63    HE   ARG   9           HNE      ARG   9   0.063  11.504   7.944
   64   1HH1  ARG   9          HN22      ARG   9   1.296   9.624   5.172
   65   2HH1  ARG   9          HN21      ARG   9  -0.249   9.709   4.358
   66   1HH2  ARG   9          HN11      ARG   9  -1.857  11.550   6.867
   67   2HH2  ARG   9          HN12      ARG   9  -1.995  10.869   5.251
   68    H    LYS  10           HN       LYS  10  -3.251   8.102  10.410
   69    HA   LYS  10           HA       LYS  10  -3.743   5.259  10.521
   70   1HB   LYS  10           HB2      LYS  10  -6.107   7.038  10.327
   71   2HB   LYS  10           HB3      LYS  10  -5.643   5.884  11.556
   72   1HG   LYS  10           HG2      LYS  10  -5.751   7.912  12.662
   73   2HG   LYS  10           HG3      LYS  10  -4.029   7.806  12.477
   74   1HD   LYS  10           HD2      LYS  10  -4.778   9.172  10.100
   75   2HD   LYS  10           HD3      LYS  10  -6.149   9.447  11.108
   76   1HE   LYS  10           HE2      LYS  10  -4.828  11.339  11.462
   77   2HE   LYS  10           HE3      LYS  10  -4.516  10.386  12.918
   78   1HZ   LYS  10          HNZ2      LYS  10  -2.794  10.405  10.515
   79   2HZ   LYS  10          HNZ3      LYS  10  -2.564  11.436  11.698
   80   3HZ   LYS  10          HNZ1      LYS  10  -2.320   9.843  11.990
   81    H    THR  11           HN       THR  11  -3.093   6.309   7.684
   82    HA   THR  11           HA       THR  11  -5.304   4.975   6.233
   83    HB   THR  11           HB       THR  11  -3.963   5.973   4.270
   84    HG1  THR  11           HOG      THR  11  -2.522   7.655   4.970
   85   1HG2  THR  11           HG2      THR  11  -5.999   7.078   5.171
   86   2HG2  THR  11           HG3      THR  11  -5.003   7.946   6.360
   87   3HG2  THR  11           HG1      THR  11  -4.790   8.257   4.627
   88    H    MET  12           HN       MET  12  -1.925   5.031   5.235
   89    HA   MET  12           HA       MET  12  -2.234   2.251   4.555
   90   1HB   MET  12           HB2      MET  12   0.423   3.862   4.350
   91   2HB   MET  12           HB3      MET  12   0.076   2.392   3.520
   92   1HG   MET  12           HG2      MET  12  -0.035   4.223   1.910
   93   2HG   MET  12           HG3      MET  12  -1.689   3.700   2.121
   94   1HE   MET  12           HE1      MET  12  -2.626   5.816   0.974
   95   2HE   MET  12           HE2      MET  12  -2.045   7.462   1.318
   96   3HE   MET  12           HE3      MET  12  -0.946   6.270   0.582
   97    H    TYR  13           HN       TYR  13  -2.317   2.436   7.325
   98    HA   TYR  13           HA       TYR  13  -1.746   0.931   9.116
   99   1HB   TYR  13           HB2      TYR  13  -1.336  -0.559   6.717
  100   2HB   TYR  13           HB3      TYR  13  -0.656  -1.103   8.269
  101    HD1  TYR  13           HD1      TYR  13  -3.649   0.497   7.026
  102    HD2  TYR  13           HD2      TYR  13  -2.204  -2.531   9.678
  103    HE1  TYR  13           HE1      TYR  13  -5.943   0.280   7.978
  104    HE2  TYR  13           HE2      TYR  13  -4.454  -2.852  10.555
  105    HH   TYR  13           HOH      TYR  13  -6.646  -2.111  10.572
  106    H    ASP  14           HN       ASP  14  -0.169   3.058   9.160
  107    HA   ASP  14           HA       ASP  14   2.704   2.845   8.946
  108   1HB   ASP  14           HB2      ASP  14   1.515   4.945   9.189
  109   2HB   ASP  14           HB3      ASP  14   0.789   4.421  10.624
  110    H    CYS  15           HN       CYS  15   0.687   1.505  11.378
  111    HA   CYS  15           HA       CYS  15   2.512   1.502  13.556
  112   1HB   CYS  15           HB2      CYS  15  -0.014   0.098  12.661
  113   2HB   CYS  15           HB3      CYS  15   0.274  -0.272  14.252
  114    H    CYS  16           HN       CYS  16   3.116  -0.029  11.392
  115    HA   CYS  16           HA       CYS  16   4.065  -1.914  10.310
  116   1HB   CYS  16           HB2      CYS  16   5.064  -2.208  13.073
  117   2HB   CYS  16           HB3      CYS  16   4.521  -3.735  12.580
  118    H    SER  17           HN       SER  17   1.873  -2.564  13.021
  119    HA   SER  17           HA       SER  17  -0.140  -3.442  11.356
  120   1HB   SER  17           HB2      SER  17  -0.314  -5.793  12.642
  121   2HB   SER  17           HB3      SER  17   0.374  -5.550  11.052
  122    HG   SER  17           HOG      SER  17   2.440  -5.489  12.061
  123    H    GLY  18           HN       GLY  18  -1.859  -3.761  12.935
  124   1HA   GLY  18           HA2      GLY  18  -3.209  -3.320  14.885
  125   2HA   GLY  18           HA3      GLY  18  -1.800  -2.582  15.652
  126    H    SER  19           HN       SER  19  -3.323  -0.446  15.407
  127    HA   SER  19           HA       SER  19  -2.618   0.796  12.818
  128   1HB   SER  19           HB2      SER  19  -5.304   1.199  12.445
  129   2HB   SER  19           HB3      SER  19  -4.489  -0.258  11.910
  130    HG   SER  19           HOG      SER  19  -5.222  -1.252  13.841
  131    H    CYS  20           HN       CYS  20  -3.030   3.108  12.759
  132    HA   CYS  20           HA       CYS  20  -2.769   4.384  15.279
  133   1HB   CYS  20           HB2      CYS  20  -1.847   4.897  12.814
  134   2HB   CYS  20           HB3      CYS  20  -3.421   5.612  12.585
  135    H    GLY  21           HN       GLY  21  -4.846   3.409  16.032
  136   1HA   GLY  21           HA2      GLY  21  -7.263   4.137  14.500
  137   2HA   GLY  21           HA3      GLY  21  -7.136   3.032  15.885
  138    H    ARG  22           HN       ARG  22  -6.005   5.302  17.489
  139    HA   ARG  22           HA       ARG  22  -8.677   6.481  18.174
  140   1HB   ARG  22           HB2      ARG  22  -6.766   5.722  20.348
  141   2HB   ARG  22           HB3      ARG  22  -8.505   5.900  20.364
  142   1HG   ARG  22           HG2      ARG  22  -8.737   3.756  19.124
  143   2HG   ARG  22           HG3      ARG  22  -6.978   3.619  19.016
  144   1HD   ARG  22           HD2      ARG  22  -7.108   3.920  21.679
  145   2HD   ARG  22           HD3      ARG  22  -8.731   3.303  21.426
  146    HE   ARG  22           HNE      ARG  22  -7.867   1.213  20.895
  147   1HH1  ARG  22          HN21      ARG  22  -5.158   3.500  20.642
  148   2HH1  ARG  22          HN22      ARG  22  -3.971   2.327  21.135
  149   1HH2  ARG  22          HN12      ARG  22  -6.158  -0.393  21.275
  150   2HH2  ARG  22          HN11      ARG  22  -4.504   0.176  21.326
  151    H    ARG  23           HN       ARG  23  -5.178   7.036  19.050
  152    HA   ARG  23           HA       ARG  23  -5.997   9.884  19.649
  153   1HB   ARG  23           HB2      ARG  23  -4.285   9.694  21.457
  154   2HB   ARG  23           HB3      ARG  23  -5.817   8.866  21.607
  155   1HG   ARG  23           HG2      ARG  23  -4.071   7.501  22.486
  156   2HG   ARG  23           HG3      ARG  23  -4.843   6.713  21.123
  157   1HD   ARG  23           HD2      ARG  23  -2.881   7.569  19.687
  158   2HD   ARG  23           HD3      ARG  23  -2.072   7.978  21.212
  159    HE   ARG  23           HNE      ARG  23  -2.538   5.415  19.944
  160   1HH1  ARG  23          HN11      ARG  23  -2.006   6.836  23.204
  161   2HH1  ARG  23          HN12      ARG  23  -1.668   5.266  23.901
  162   1HH2  ARG  23          HN22      ARG  23  -1.958   3.465  20.933
  163   2HH2  ARG  23          HN21      ARG  23  -1.934   3.351  22.683
  164    H    GLY  24           HN       GLY  24  -4.609   8.855  16.963
  165   1HA   GLY  24           HA2      GLY  24  -3.145   9.926  15.557
  166   2HA   GLY  24           HA3      GLY  24  -2.922  11.211  16.756
  167    H    LYS  25           HN       LYS  25  -2.249   7.769  17.255
  168    HA   LYS  25           HA       LYS  25   0.560   7.915  17.133
  169   1HB   LYS  25           HB2      LYS  25   0.139   7.092  19.905
  170   2HB   LYS  25           HB3      LYS  25   1.451   7.831  19.157
  171   1HG   LYS  25           HG2      LYS  25   0.552  10.049  18.969
  172   2HG   LYS  25           HG3      LYS  25  -1.018   9.459  19.558
  173   1HD   LYS  25           HD2      LYS  25   0.114   8.735  21.626
  174   2HD   LYS  25           HD3      LYS  25   1.542   9.649  21.143
  175   1HE   LYS  25           HE2      LYS  25   0.125  11.031  22.630
  176   2HE   LYS  25           HE3      LYS  25   0.226  11.753  21.014
  177   1HZ   LYS  25          HNZ1      LYS  25  -2.012  10.159  22.062
  178   2HZ   LYS  25          HNZ2      LYS  25  -2.004  11.773  21.962
  179   3HZ   LYS  25          HNZ3      LYS  25  -2.034  10.863  20.585
  180    H    CYS  26           HN       CYS  26   0.996   5.749  17.070
  181    HA   CYS  26           HA       CYS  26  -0.631   3.887  16.240
  182   1HB   CYS  26           HB2      CYS  26   1.874   2.714  17.145
  183   2HB   CYS  26           HB3      CYS  26   0.744   2.284  18.309
  184   1H    NH2  27          HN11      CYS  26  -3.241   2.835  18.366
  185   2H    NH2  27          HN12      CYS  26  -2.582   2.690  16.756
   
  No H/Q in entry =         185
  Start of MODEL          12
 Raw file had  192 H/Q atoms
  Start of MODEL   12
    1   1H    CYS   1           HN3      CYS   1   8.758  -0.747  10.048
    2   2H    CYS   1           HN1      CYS   1   8.159  -2.265  10.281
    3   3H    CYS   1           HN2      CYS   1   8.170  -1.511   8.788
    4    HA   CYS   1           HA       CYS   1   6.635   0.093   9.473
    5   1HB   CYS   1           HB2      CYS   1   4.681  -1.389  10.268
    6   2HB   CYS   1           HB3      CYS   1   5.235  -1.489   8.728
    7    H    LYS   2           HN       LYS   2   5.075   0.886  11.151
    8    HA   LYS   2           HA       LYS   2   7.107   1.755  12.990
    9   1HB   LYS   2           HB2      LYS   2   4.674   2.804  12.124
   10   2HB   LYS   2           HB3      LYS   2   4.343   2.677  13.725
   11   1HG   LYS   2           HG2      LYS   2   4.952   4.671  13.865
   12   2HG   LYS   2           HG3      LYS   2   6.375   3.860  14.510
   13   1HD   LYS   2           HD2      LYS   2   7.709   4.515  12.739
   14   2HD   LYS   2           HD3      LYS   2   6.417   4.315  11.548
   15   1HE   LYS   2           HE2      LYS   2   6.562   6.648  13.511
   16   2HE   LYS   2           HE3      LYS   2   7.099   6.702  11.826
   17   1HZ   LYS   2          HNZ1      LYS   2   4.291   6.061  12.570
   18   2HZ   LYS   2          HNZ2      LYS   2   4.848   7.545  12.137
   19   3HZ   LYS   2          HNZ3      LYS   2   4.886   6.266  11.102
   20    H    GLY   3           HN       GLY   3   6.608   2.111  15.173
   21   1HA   GLY   3           HA3      GLY   3   5.374  -0.328  16.580
   22   2HA   GLY   3           HA2      GLY   3   6.873   0.429  17.034
   23    H    LYS   4           HN       LYS   4   4.721   0.027  18.785
   24    HA   LYS   4           HA       LYS   4   2.503   1.618  18.487
   25   1HB   LYS   4           HB2      LYS   4   2.539  -0.384  20.110
   26   2HB   LYS   4           HB3      LYS   4   3.599   0.570  21.161
   27   1HG   LYS   4           HG2      LYS   4   1.105   2.025  20.822
   28   2HG   LYS   4           HG3      LYS   4   0.738   0.333  21.009
   29   1HD   LYS   4           HD2      LYS   4   0.788   0.905  23.216
   30   2HD   LYS   4           HD3      LYS   4   2.440   0.378  23.017
   31   1HE   LYS   4           HE2      LYS   4   2.635   2.401  24.206
   32   2HE   LYS   4           HE3      LYS   4   2.999   2.904  22.552
   33   1HZ   LYS   4          HNZ1      LYS   4   0.387   3.180  23.936
   34   2HZ   LYS   4          HNZ2      LYS   4   1.403   4.425  23.593
   35   3HZ   LYS   4          HNZ3      LYS   4   0.636   3.659  22.426
   36    H    GLY   5           HN       GLY   5   1.623   3.407  19.169
   37   1HA   GLY   5           HA2      GLY   5   1.396   5.460  19.661
   38   2HA   GLY   5           HA3      GLY   5   2.343   5.337  21.082
   39    H    ALA   6           HN       ALA   6   4.136   4.671  18.149
   40    HA   ALA   6           HA       ALA   6   5.554   7.164  18.113
   41   1HB   ALA   6           HB3      ALA   6   4.981   5.048  16.025
   42   2HB   ALA   6           HB1      ALA   6   6.223   6.314  15.837
   43   3HB   ALA   6           HB2      ALA   6   6.385   5.081  17.111
   44    HA   PRO   7           HA       PRO   7   2.490   9.756  16.156
   45   1HB   PRO   7           HB3      PRO   7   3.950  11.321  14.411
   46   2HB   PRO   7           HB2      PRO   7   3.834  11.552  16.179
   47   1HG   PRO   7           HG2      PRO   7   6.021  10.166  14.628
   48   2HG   PRO   7           HG3      PRO   7   6.143  11.320  15.996
   49   1HD   PRO   7           HD2      PRO   7   6.385   8.626  16.348
   50   2HD   PRO   7           HD3      PRO   7   5.607   9.665  17.578
   51    H    CYS   8           HN       CYS   8   1.083   9.210  14.463
   52    HA   CYS   8           HA       CYS   8   2.011   7.517  12.175
   53   1HB   CYS   8           HB2      CYS   8   0.304   6.000  12.881
   54   2HB   CYS   8           HB3      CYS   8   0.732   6.668  14.415
   55    H    ARG   9           HN       ARG   9   0.260   7.054  10.721
   56    HA   ARG   9           HA       ARG   9  -1.013   9.523   9.702
   57   1HB   ARG   9           HB2      ARG   9   0.451   7.401   8.114
   58   2HB   ARG   9           HB3      ARG   9   0.109   9.096   7.728
   59   1HG   ARG   9           HG2      ARG   9   1.823   9.766   9.455
   60   2HG   ARG   9           HG3      ARG   9   2.225   8.073   9.664
   61   1HD   ARG   9           HD2      ARG   9   2.411   9.623   7.043
   62   2HD   ARG   9           HD3      ARG   9   3.763   9.044   7.997
   63    HE   ARG   9           HNE      ARG   9   2.040   7.528   6.156
   64   1HH1  ARG   9          HN22      ARG   9   4.481   7.226   8.659
   65   2HH1  ARG   9          HN21      ARG   9   4.173   5.550   8.961
   66   1HH2  ARG   9          HN11      ARG   9   1.875   5.200   6.267
   67   2HH2  ARG   9          HN12      ARG   9   2.978   4.304   7.223
   68    H    LYS  10           HN       LYS  10  -3.184   8.655  10.350
   69    HA   LYS  10           HA       LYS  10  -3.402   5.886  11.078
   70   1HB   LYS  10           HB2      LYS  10  -5.800   7.618  10.463
   71   2HB   LYS  10           HB3      LYS  10  -5.679   6.229  11.541
   72   1HG   LYS  10           HG2      LYS  10  -5.554   7.725  13.168
   73   2HG   LYS  10           HG3      LYS  10  -3.871   7.785  12.740
   74   1HD   LYS  10           HD2      LYS  10  -4.440  10.027  12.937
   75   2HD   LYS  10           HD3      LYS  10  -4.539   9.811  11.192
   76   1HE   LYS  10           HE2      LYS  10  -6.843   9.850  13.194
   77   2HE   LYS  10           HE3      LYS  10  -6.390  11.169  12.118
   78   1HZ   LYS  10          HNZ2      LYS  10  -7.354   8.543  11.184
   79   2HZ   LYS  10          HNZ3      LYS  10  -8.267   9.874  11.361
   80   3HZ   LYS  10          HNZ1      LYS  10  -7.123   9.910  10.263
   81    H    THR  11           HN       THR  11  -5.607   6.753   8.680
   82    HA   THR  11           HA       THR  11  -5.728   4.237   7.463
   83    HB   THR  11           HB       THR  11  -6.516   5.643   5.414
   84    HG1  THR  11           HOG      THR  11  -5.314   7.545   6.081
   85   1HG2  THR  11           HG2      THR  11  -7.775   6.133   8.160
   86   2HG2  THR  11           HG3      THR  11  -8.573   6.335   6.589
   87   3HG2  THR  11           HG1      THR  11  -8.063   4.721   7.121
   88    H    MET  12           HN       MET  12  -2.990   6.423   7.161
   89    HA   MET  12           HA       MET  12  -2.311   5.269   4.533
   90   1HB   MET  12           HB2      MET  12  -0.599   7.320   6.112
   91   2HB   MET  12           HB3      MET  12  -0.466   6.967   4.441
   92   1HG   MET  12           HG2      MET  12  -1.520   9.158   4.689
   93   2HG   MET  12           HG3      MET  12  -2.810   8.103   4.153
   94   1HE   MET  12           HE3      MET  12  -4.507   9.977   4.770
   95   2HE   MET  12           HE1      MET  12  -4.546  10.808   6.343
   96   3HE   MET  12           HE2      MET  12  -3.154  11.030   5.257
   97    H    TYR  13           HN       TYR  13  -2.318   3.450   6.672
   98    HA   TYR  13           HA       TYR  13  -1.058   1.444   7.102
   99   1HB   TYR  13           HB2      TYR  13  -0.222   2.357   4.525
  100   2HB   TYR  13           HB3      TYR  13   0.741   1.173   5.443
  101    HD1  TYR  13           HD1      TYR  13  -2.752   1.955   4.884
  102    HD2  TYR  13           HD2      TYR  13   0.113  -1.218   4.966
  103    HE1  TYR  13           HE1      TYR  13  -4.600   0.304   4.522
  104    HE2  TYR  13           HE2      TYR  13  -1.642  -2.841   4.491
  105    HH   TYR  13           HOH      TYR  13  -3.894  -3.201   4.153
  106    H    ASP  14           HN       ASP  14  -0.368   2.938   9.175
  107    HA   ASP  14           HA       ASP  14   2.586   3.311   9.119
  108   1HB   ASP  14           HB2      ASP  14   1.125   5.055   9.967
  109   2HB   ASP  14           HB3      ASP  14   0.827   4.027  11.375
  110    H    CYS  15           HN       CYS  15   0.477   1.112  10.939
  111    HA   CYS  15           HA       CYS  15   2.817   0.750  12.619
  112   1HB   CYS  15           HB2      CYS  15   0.290  -0.705  13.236
  113   2HB   CYS  15           HB3      CYS  15   1.231  -0.068  14.435
  114    H    CYS  16           HN       CYS  16   3.729  -1.139  13.190
  115    HA   CYS  16           HA       CYS  16   3.650  -3.106  11.063
  116   1HB   CYS  16           HB2      CYS  16   5.338  -2.454  13.412
  117   2HB   CYS  16           HB3      CYS  16   5.007  -4.069  13.497
  118    H    SER  17           HN       SER  17   2.233  -3.088  14.273
  119    HA   SER  17           HA       SER  17   0.858  -5.698  13.968
  120   1HB   SER  17           HB2      SER  17   0.981  -5.828  16.371
  121   2HB   SER  17           HB3      SER  17   2.586  -5.841  15.620
  122    HG   SER  17           HOG      SER  17   2.607  -4.373  17.327
  123    H    GLY  18           HN       GLY  18   0.289  -3.659  16.351
  124   1HA   GLY  18           HA2      GLY  18  -2.526  -3.577  15.782
  125   2HA   GLY  18           HA3      GLY  18  -1.857  -2.735  17.157
  126    H    SER  19           HN       SER  19  -3.656  -1.683  14.898
  127    HA   SER  19           HA       SER  19  -1.962   0.131  13.314
  128   1HB   SER  19           HB2      SER  19  -4.526   0.257  12.284
  129   2HB   SER  19           HB3      SER  19  -3.432  -1.104  12.016
  130    HG   SER  19           HOG      SER  19  -5.518  -1.740  12.744
  131    H    CYS  20           HN       CYS  20  -2.601   2.434  12.996
  132    HA   CYS  20           HA       CYS  20  -3.091   3.711  15.494
  133   1HB   CYS  20           HB2      CYS  20  -1.824   4.535  13.259
  134   2HB   CYS  20           HB3      CYS  20  -3.403   5.240  12.973
  135    H    GLY  21           HN       GLY  21  -4.942   2.927  16.249
  136   1HA   GLY  21           HA2      GLY  21  -7.687   3.079  15.229
  137   2HA   GLY  21           HA3      GLY  21  -7.140   3.139  16.882
  138    H    ARG  22           HN       ARG  22  -6.754   5.728  14.238
  139    HA   ARG  22           HA       ARG  22  -7.597   7.683  14.039
  140   1HB   ARG  22           HB2      ARG  22  -9.686   6.608  14.380
  141   2HB   ARG  22           HB3      ARG  22  -9.655   6.935  16.120
  142   1HG   ARG  22           HG2      ARG  22 -10.067   9.163  15.876
  143   2HG   ARG  22           HG3      ARG  22  -9.269   9.310  14.309
  144   1HD   ARG  22           HD2      ARG  22 -11.870   7.783  14.601
  145   2HD   ARG  22           HD3      ARG  22 -11.851   9.512  14.314
  146    HE   ARG  22           HNE      ARG  22 -10.731   7.381  12.511
  147   1HH1  ARG  22          HN21      ARG  22 -11.335  10.861  12.902
  148   2HH1  ARG  22          HN22      ARG  22 -10.839  11.180  11.258
  149   1HH2  ARG  22          HN12      ARG  22 -10.286   7.873  10.394
  150   2HH2  ARG  22          HN11      ARG  22 -10.426   9.511   9.806
  151    H    ARG  23           HN       ARG  23  -6.887   6.982  17.444
  152    HA   ARG  23           HA       ARG  23  -6.806   9.574  18.425
  153   1HB   ARG  23           HB2      ARG  23  -5.280   8.707  20.135
  154   2HB   ARG  23           HB3      ARG  23  -6.662   7.643  19.873
  155   1HG   ARG  23           HG2      ARG  23  -5.388   5.944  18.921
  156   2HG   ARG  23           HG3      ARG  23  -4.151   7.041  18.296
  157   1HD   ARG  23           HD2      ARG  23  -3.390   7.512  20.623
  158   2HD   ARG  23           HD3      ARG  23  -4.583   6.342  21.205
  159    HE   ARG  23           HNE      ARG  23  -2.544   5.484  19.192
  160   1HH1  ARG  23          HN22      ARG  23  -3.233   5.676  22.666
  161   2HH1  ARG  23          HN21      ARG  23  -2.526   4.117  23.011
  162   1HH2  ARG  23          HN12      ARG  23  -1.273   3.608  19.766
  163   2HH2  ARG  23          HN11      ARG  23  -1.532   2.920  21.357
  164    H    GLY  24           HN       GLY  24  -4.560   8.277  16.123
  165   1HA   GLY  24           HA2      GLY  24  -2.970   9.482  14.962
  166   2HA   GLY  24           HA3      GLY  24  -3.180  10.870  16.028
  167    H    LYS  25           HN       LYS  25  -2.417   7.789  17.542
  168    HA   LYS  25           HA       LYS  25   0.417   8.187  17.161
  169   1HB   LYS  25           HB2      LYS  25  -0.053   7.302  19.960
  170   2HB   LYS  25           HB3      LYS  25   1.175   8.332  19.250
  171   1HG   LYS  25           HG2      LYS  25  -0.232  10.228  18.987
  172   2HG   LYS  25           HG3      LYS  25  -1.476   9.450  19.974
  173   1HD   LYS  25           HD2      LYS  25   1.262   9.302  21.184
  174   2HD   LYS  25           HD3      LYS  25   0.778  10.935  20.778
  175   1HE   LYS  25           HE2      LYS  25   0.101  10.466  23.077
  176   2HE   LYS  25           HE3      LYS  25  -1.378  10.541  22.108
  177   1HZ   LYS  25          HNZ3      LYS  25  -1.350   8.083  22.077
  178   2HZ   LYS  25          HNZ1      LYS  25  -0.016   8.045  22.977
  179   3HZ   LYS  25          HNZ2      LYS  25  -1.435   8.639  23.559
  180    H    CYS  26           HN       CYS  26   1.311   6.207  17.243
  181    HA   CYS  26           HA       CYS  26  -0.248   4.585  15.525
  182   1HB   CYS  26           HB2      CYS  26   2.658   3.557  16.407
  183   2HB   CYS  26           HB3      CYS  26   1.445   2.621  16.210
  184   1H    NH2  27          HN11      CYS  26  -1.634   1.770  17.348
  185   2H    NH2  27          HN12      CYS  26  -1.383   2.462  15.774
   
  No H/Q in entry =         185
  Start of MODEL          13
 Raw file had  192 H/Q atoms
  Start of MODEL   13
    1   1H    CYS   1           HN2      CYS   1   8.130   0.673   8.924
    2   2H    CYS   1           HN1      CYS   1   8.161  -0.974   8.958
    3   3H    CYS   1           HN3      CYS   1   7.361  -0.098   7.752
    4    HA   CYS   1           HA       CYS   1   5.685   0.575   9.053
    5   1HB   CYS   1           HB2      CYS   1   4.851  -1.264  10.443
    6   2HB   CYS   1           HB3      CYS   1   5.396  -1.796   8.967
    7    H    LYS   2           HN       LYS   2   4.847   0.939  11.263
    8    HA   LYS   2           HA       LYS   2   7.025   2.367  12.703
    9   1HB   LYS   2           HB2      LYS   2   4.327   2.886  12.280
   10   2HB   LYS   2           HB3      LYS   2   4.205   2.454  13.868
   11   1HG   LYS   2           HG2      LYS   2   4.404   4.743  13.824
   12   2HG   LYS   2           HG3      LYS   2   5.745   4.076  14.752
   13   1HD   LYS   2           HD2      LYS   2   7.332   4.567  13.099
   14   2HD   LYS   2           HD3      LYS   2   6.154   4.507  11.780
   15   1HE   LYS   2           HE2      LYS   2   5.971   6.674  13.897
   16   2HE   LYS   2           HE3      LYS   2   7.096   6.837  12.547
   17   1HZ   LYS   2          HNZ2      LYS   2   4.283   6.193  11.997
   18   2HZ   LYS   2          HNZ3      LYS   2   4.766   7.739  12.336
   19   3HZ   LYS   2          HNZ1      LYS   2   5.425   6.942  11.056
   20    H    GLY   3           HN       GLY   3   6.535   2.445  15.098
   21   1HA   GLY   3           HA2      GLY   3   5.147   0.158  16.059
   22   2HA   GLY   3           HA3      GLY   3   6.635   0.163  16.964
   23    H    LYS   4           HN       LYS   4   4.905   0.480  18.840
   24    HA   LYS   4           HA       LYS   4   2.865   2.106  18.178
   25   1HB   LYS   4           HB2      LYS   4   3.438   0.818  20.957
   26   2HB   LYS   4           HB3      LYS   4   1.935   1.327  20.331
   27   1HG   LYS   4           HG2      LYS   4   2.771  -0.366  18.278
   28   2HG   LYS   4           HG3      LYS   4   3.297  -1.191  19.755
   29   1HD   LYS   4           HD2      LYS   4   0.484  -0.137  19.183
   30   2HD   LYS   4           HD3      LYS   4   0.999  -1.806  18.934
   31   1HE   LYS   4           HE2      LYS   4   1.439  -2.102  21.339
   32   2HE   LYS   4           HE3      LYS   4   1.078  -0.392  21.645
   33   1HZ   LYS   4          HNZ2      LYS   4  -1.152  -0.772  20.865
   34   2HZ   LYS   4          HNZ3      LYS   4  -0.933  -2.345  20.681
   35   3HZ   LYS   4          HNZ1      LYS   4  -0.839  -1.597  22.177
   36    H    GLY   5           HN       GLY   5   1.678   3.535  19.302
   37   1HA   GLY   5           HA2      GLY   5   1.232   5.604  19.642
   38   2HA   GLY   5           HA3      GLY   5   2.055   5.544  21.141
   39    H    ALA   6           HN       ALA   6   3.998   5.163  18.192
   40    HA   ALA   6           HA       ALA   6   5.287   7.724  18.370
   41   1HB   ALA   6           HB3      ALA   6   6.199   5.595  17.405
   42   2HB   ALA   6           HB1      ALA   6   4.954   5.676  16.143
   43   3HB   ALA   6           HB2      ALA   6   6.236   6.907  16.207
   44    HA   PRO   7           HA       PRO   7   2.339  10.150  15.957
   45   1HB   PRO   7           HB2      PRO   7   3.925  11.625  14.265
   46   2HB   PRO   7           HB3      PRO   7   3.703  11.976  15.997
   47   1HG   PRO   7           HG3      PRO   7   5.970  10.434  14.692
   48   2HG   PRO   7           HG2      PRO   7   6.155  11.719  15.919
   49   1HD   PRO   7           HD2      PRO   7   6.245   9.109  16.590
   50   2HD   PRO   7           HD3      PRO   7   5.376  10.239  17.653
   51    H    CYS   8           HN       CYS   8   1.082   9.394  14.281
   52    HA   CYS   8           HA       CYS   8   2.282   7.488  12.362
   53   1HB   CYS   8           HB2      CYS   8   0.358   6.124  12.667
   54   2HB   CYS   8           HB3      CYS   8   0.636   6.724  14.262
   55    H    ARG   9           HN       ARG   9   1.080   7.026  10.559
   56    HA   ARG   9           HA       ARG   9   0.312   9.459   9.083
   57   1HB   ARG   9           HB2      ARG   9   1.620   6.846   8.200
   58   2HB   ARG   9           HB3      ARG   9   1.606   8.439   7.424
   59   1HG   ARG   9           HG2      ARG   9   2.891   9.353   9.451
   60   2HG   ARG   9           HG3      ARG   9   3.086   7.712   9.999
   61   1HD   ARG   9           HD2      ARG   9   4.009   8.354   7.204
   62   2HD   ARG   9           HD3      ARG   9   5.015   8.596   8.636
   63    HE   ARG   9           HNE      ARG   9   3.750   5.991   8.701
   64   1HH1  ARG   9          HN12      ARG   9   6.819   7.482   7.943
   65   2HH1  ARG   9          HN11      ARG   9   7.519   6.007   7.368
   66   1HH2  ARG   9          HN21      ARG   9   4.762   4.220   8.631
   67   2HH2  ARG   9          HN22      ARG   9   6.339   3.985   7.877
   68    H    LYS  10           HN       LYS  10  -1.794   8.976  10.136
   69    HA   LYS  10           HA       LYS  10  -2.723   6.450  10.978
   70   1HB   LYS  10           HB2      LYS  10  -3.617   8.942  11.309
   71   2HB   LYS  10           HB3      LYS  10  -4.735   8.494  10.025
   72   1HG   LYS  10           HG2      LYS  10  -5.372   6.491  11.490
   73   2HG   LYS  10           HG3      LYS  10  -4.391   7.245  12.787
   74   1HD   LYS  10           HD2      LYS  10  -5.705   9.355  12.491
   75   2HD   LYS  10           HD3      LYS  10  -6.788   8.493  11.396
   76   1HE   LYS  10           HE2      LYS  10  -6.271   7.879  14.359
   77   2HE   LYS  10           HE3      LYS  10  -7.727   8.631  13.693
   78   1HZ   LYS  10          HNZ2      LYS  10  -8.160   6.550  12.521
   79   2HZ   LYS  10          HNZ3      LYS  10  -6.794   5.887  13.180
   80   3HZ   LYS  10          HNZ1      LYS  10  -8.053   6.288  14.145
   81    H    THR  11           HN       THR  11  -4.098   7.771   8.204
   82    HA   THR  11           HA       THR  11  -5.492   5.475   7.385
   83    HB   THR  11           HB       THR  11  -5.444   6.704   5.077
   84    HG1  THR  11           HOG      THR  11  -3.541   7.925   5.514
   85   1HG2  THR  11           HG3      THR  11  -6.383   8.144   7.608
   86   2HG2  THR  11           HG1      THR  11  -6.947   8.462   5.956
   87   3HG2  THR  11           HG2      THR  11  -7.291   6.898   6.721
   88    H    MET  12           HN       MET  12  -2.026   6.144   6.773
   89    HA   MET  12           HA       MET  12  -2.068   4.218   4.562
   90   1HB   MET  12           HB2      MET  12   0.473   5.507   5.831
   91   2HB   MET  12           HB3      MET  12   0.387   4.736   4.298
   92   1HG   MET  12           HG2      MET  12   0.543   7.150   3.950
   93   2HG   MET  12           HG3      MET  12  -1.085   6.715   3.479
   94   1HE   MET  12           HE3      MET  12  -1.759   9.221   3.435
   95   2HE   MET  12           HE1      MET  12  -1.390  10.370   4.743
   96   3HE   MET  12           HE2      MET  12  -0.066   9.642   3.802
   97    H    TYR  13           HN       TYR  13  -2.823   3.164   7.101
   98    HA   TYR  13           HA       TYR  13  -2.415   1.202   8.471
   99   1HB   TYR  13           HB2      TYR  13  -1.790   0.489   5.767
  100   2HB   TYR  13           HB3      TYR  13  -1.190  -0.486   7.126
  101    HD1  TYR  13           HD1      TYR  13  -4.170   1.383   6.261
  102    HD2  TYR  13           HD2      TYR  13  -2.744  -2.317   7.862
  103    HE1  TYR  13           HE1      TYR  13  -6.548   0.633   6.623
  104    HE2  TYR  13           HE2      TYR  13  -5.030  -3.089   8.181
  105    HH   TYR  13           HOH      TYR  13  -7.277  -2.611   7.957
  106    H    ASP  14           HN       ASP  14  -0.857   3.107   9.472
  107    HA   ASP  14           HA       ASP  14   1.953   2.987   8.820
  108   1HB   ASP  14           HB2      ASP  14   0.740   4.895   9.787
  109   2HB   ASP  14           HB3      ASP  14   0.778   4.022  11.342
  110    H    CYS  15           HN       CYS  15   0.177   1.068  11.085
  111    HA   CYS  15           HA       CYS  15   2.601   0.725  12.651
  112   1HB   CYS  15           HB2      CYS  15   0.097  -0.676  13.358
  113   2HB   CYS  15           HB3      CYS  15   1.103  -0.131  14.543
  114    H    CYS  16           HN       CYS  16   3.528  -1.177  13.170
  115    HA   CYS  16           HA       CYS  16   3.543  -2.983  10.962
  116   1HB   CYS  16           HB2      CYS  16   5.094  -2.714  13.481
  117   2HB   CYS  16           HB3      CYS  16   4.648  -4.331  13.301
  118    H    SER  17           HN       SER  17   1.944  -3.201  14.093
  119    HA   SER  17           HA       SER  17   0.461  -5.700  13.500
  120   1HB   SER  17           HB2      SER  17   0.531  -6.068  15.885
  121   2HB   SER  17           HB3      SER  17   2.142  -6.097  15.151
  122    HG   SER  17           HOG      SER  17   2.224  -4.805  16.988
  123    H    GLY  18           HN       GLY  18  -0.048  -3.871  16.069
  124   1HA   GLY  18           HA2      GLY  18  -2.851  -3.598  15.483
  125   2HA   GLY  18           HA3      GLY  18  -2.155  -2.957  16.949
  126    H    SER  19           HN       SER  19  -3.864  -1.545  14.833
  127    HA   SER  19           HA       SER  19  -2.010   0.121  13.254
  128   1HB   SER  19           HB2      SER  19  -4.521   0.372  12.146
  129   2HB   SER  19           HB3      SER  19  -3.510  -1.061  11.963
  130    HG   SER  19           HOG      SER  19  -5.618  -1.591  12.633
  131    H    CYS  20           HN       CYS  20  -2.522   2.453  12.891
  132    HA   CYS  20           HA       CYS  20  -3.138   3.898  15.275
  133   1HB   CYS  20           HB2      CYS  20  -1.684   4.578  13.115
  134   2HB   CYS  20           HB3      CYS  20  -3.224   5.168  12.560
  135    H    GLY  21           HN       GLY  21  -5.126   2.733  15.655
  136   1HA   GLY  21           HA2      GLY  21  -7.488   3.472  13.967
  137   2HA   GLY  21           HA3      GLY  21  -7.437   2.291  15.268
  138    H    ARG  22           HN       ARG  22  -6.238   4.059  17.193
  139    HA   ARG  22           HA       ARG  22  -8.846   5.224  17.979
  140   1HB   ARG  22           HB2      ARG  22  -6.606   4.004  19.659
  141   2HB   ARG  22           HB3      ARG  22  -8.107   4.677  20.273
  142   1HG   ARG  22           HG2      ARG  22  -9.271   2.821  19.772
  143   2HG   ARG  22           HG3      ARG  22  -8.603   2.677  18.152
  144   1HD   ARG  22           HD2      ARG  22  -7.161   1.803  20.692
  145   2HD   ARG  22           HD3      ARG  22  -8.076   0.733  19.608
  146    HE   ARG  22           HNE      ARG  22  -6.085   2.237  18.160
  147   1HH1  ARG  22          HN22      ARG  22  -6.141  -0.377  20.542
  148   2HH1  ARG  22          HN21      ARG  22  -4.656  -1.077  19.928
  149   1HH2  ARG  22          HN12      ARG  22  -4.253   1.156  17.244
  150   2HH2  ARG  22          HN11      ARG  22  -3.633  -0.241  18.093
  151    H    ARG  23           HN       ARG  23  -5.339   5.860  18.771
  152    HA   ARG  23           HA       ARG  23  -6.354   8.322  20.018
  153   1HB   ARG  23           HB2      ARG  23  -4.538   8.119  21.466
  154   2HB   ARG  23           HB3      ARG  23  -5.027   6.451  21.126
  155   1HG   ARG  23           HG2      ARG  23  -3.258   6.740  19.140
  156   2HG   ARG  23           HG3      ARG  23  -2.620   8.004  20.204
  157   1HD   ARG  23           HD2      ARG  23  -1.367   6.168  20.804
  158   2HD   ARG  23           HD3      ARG  23  -2.654   6.088  22.019
  159    HE   ARG  23           HNE      ARG  23  -3.218   4.622  19.540
  160   1HH1  ARG  23          HN11      ARG  23  -1.130   4.423  22.408
  161   2HH1  ARG  23          HN12      ARG  23  -1.286   2.680  22.519
  162   1HH2  ARG  23          HN22      ARG  23  -3.261   2.407  19.581
  163   2HH2  ARG  23          HN21      ARG  23  -2.482   1.506  20.892
  164    H    GLY  24           HN       GLY  24  -5.152   7.970  16.937
  165   1HA   GLY  24           HA2      GLY  24  -4.003   9.382  15.503
  166   2HA   GLY  24           HA3      GLY  24  -4.140  10.692  16.690
  167    H    LYS  25           HN       LYS  25  -2.611   7.645  17.488
  168    HA   LYS  25           HA       LYS  25   0.029   8.372  16.828
  169   1HB   LYS  25           HB2      LYS  25  -0.071   7.603  19.734
  170   2HB   LYS  25           HB3      LYS  25   1.154   8.512  18.890
  171   1HG   LYS  25           HG2      LYS  25  -0.352  10.435  18.637
  172   2HG   LYS  25           HG3      LYS  25  -1.269   9.777  19.992
  173   1HD   LYS  25           HD2      LYS  25   1.787  10.270  19.926
  174   2HD   LYS  25           HD3      LYS  25   0.598  11.406  20.459
  175   1HE   LYS  25           HE2      LYS  25   1.577  10.385  22.403
  176   2HE   LYS  25           HE3      LYS  25  -0.107   9.848  22.304
  177   1HZ   LYS  25          HNZ1      LYS  25   2.179   8.222  21.322
  178   2HZ   LYS  25          HNZ2      LYS  25   1.472   8.046  22.819
  179   3HZ   LYS  25          HNZ3      LYS  25   0.616   7.758  21.532
  180    H    CYS  26           HN       CYS  26   1.180   6.446  17.067
  181    HA   CYS  26           HA       CYS  26  -0.422   4.670  15.471
  182   1HB   CYS  26           HB2      CYS  26   2.650   3.937  16.065
  183   2HB   CYS  26           HB3      CYS  26   1.481   2.855  16.080
  184   1H    NH2  27          HN11      CYS  26  -1.678   2.785  15.894
  185   2H    NH2  27          HN12      CYS  26  -1.732   2.064  17.476
   
  No H/Q in entry =         185
  Start of MODEL          14
 Raw file had  192 H/Q atoms
  Start of MODEL   14
    1   1H    CYS   1           HN3      CYS   1  10.263  -0.486  10.996
    2   2H    CYS   1           HN2      CYS   1  10.069  -0.636   9.325
    3   3H    CYS   1           HN1      CYS   1  10.171   0.857  10.062
    4    HA   CYS   1           HA       CYS   1   8.042   0.691   9.622
    5   1HB   CYS   1           HB2      CYS   1   6.558  -1.030  10.491
    6   2HB   CYS   1           HB3      CYS   1   7.514  -1.554   9.253
    7    H    LYS   2           HN       LYS   2   6.489   1.216  11.244
    8    HA   LYS   2           HA       LYS   2   7.672   2.253  13.738
    9   1HB   LYS   2           HB3      LYS   2   5.841   3.091  11.679
   10   2HB   LYS   2           HB2      LYS   2   4.818   2.700  12.917
   11   1HG   LYS   2           HG2      LYS   2   5.245   5.012  13.275
   12   2HG   LYS   2           HG3      LYS   2   6.111   4.114  14.541
   13   1HD   LYS   2           HD2      LYS   2   7.844   5.414  13.840
   14   2HD   LYS   2           HD3      LYS   2   8.105   4.057  12.751
   15   1HE   LYS   2           HE2      LYS   2   6.604   6.571  11.938
   16   2HE   LYS   2           HE3      LYS   2   8.339   6.281  11.688
   17   1HZ   LYS   2          HNZ1      LYS   2   7.685   4.253  10.449
   18   2HZ   LYS   2          HNZ2      LYS   2   6.112   4.779  10.562
   19   3HZ   LYS   2          HNZ3      LYS   2   7.210   5.653   9.731
   20    H    GLY   3           HN       GLY   3   5.881   2.519  15.553
   21   1HA   GLY   3           HA2      GLY   3   3.669   0.885  15.527
   22   2HA   GLY   3           HA3      GLY   3   4.754  -0.171  16.341
   23    H    LYS   4           HN       LYS   4   4.336   0.125  18.528
   24    HA   LYS   4           HA       LYS   4   2.063   1.517  19.055
   25   1HB   LYS   4           HB2      LYS   4   2.690  -0.515  20.435
   26   2HB   LYS   4           HB3      LYS   4   3.878   0.490  21.282
   27   1HG   LYS   4           HG2      LYS   4   2.099   1.742  22.339
   28   2HG   LYS   4           HG3      LYS   4   0.885   1.067  21.220
   29   1HD   LYS   4           HD2      LYS   4   1.203  -1.182  22.138
   30   2HD   LYS   4           HD3      LYS   4   2.559  -0.630  23.128
   31   1HE   LYS   4           HE2      LYS   4   0.533  -0.930  24.486
   32   2HE   LYS   4           HE3      LYS   4   1.083   0.752  24.502
   33   1HZ   LYS   4          HNZ1      LYS   4  -1.177  -0.195  22.808
   34   2HZ   LYS   4          HNZ2      LYS   4  -1.265   0.655  24.233
   35   3HZ   LYS   4          HNZ3      LYS   4  -0.624   1.308  22.952
   36    H    GLY   5           HN       GLY   5   1.214   3.336  19.904
   37   1HA   GLY   5           HA2      GLY   5   1.055   5.480  19.848
   38   2HA   GLY   5           HA3      GLY   5   1.998   5.574  21.266
   39    H    ALA   6           HN       ALA   6   3.398   4.464  18.074
   40    HA   ALA   6           HA       ALA   6   5.148   6.789  18.082
   41   1HB   ALA   6           HB3      ALA   6   5.668   4.514  17.234
   42   2HB   ALA   6           HB2      ALA   6   4.436   4.765  15.959
   43   3HB   ALA   6           HB1      ALA   6   5.891   5.800  16.011
   44    HA   PRO   7           HA       PRO   7   2.334   9.405  15.609
   45   1HB   PRO   7           HB2      PRO   7   4.482  10.235  13.809
   46   2HB   PRO   7           HB3      PRO   7   3.612  11.212  15.007
   47   1HG   PRO   7           HG2      PRO   7   6.350  10.332  15.228
   48   2HG   PRO   7           HG3      PRO   7   5.373  11.036  16.521
   49   1HD   PRO   7           HD3      PRO   7   6.091   8.203  16.104
   50   2HD   PRO   7           HD2      PRO   7   5.468   9.014  17.566
   51    H    CYS   8           HN       CYS   8   1.067   8.714  13.928
   52    HA   CYS   8           HA       CYS   8   2.174   6.971  11.870
   53   1HB   CYS   8           HB2      CYS   8   0.362   5.244  12.346
   54   2HB   CYS   8           HB3      CYS   8   1.540   5.404  13.656
   55    H    ARG   9           HN       ARG   9   0.736   6.519  10.237
   56    HA   ARG   9           HA       ARG   9  -0.318   9.142   9.429
   57   1HB   ARG   9           HB2      ARG   9   0.763   6.767   7.872
   58   2HB   ARG   9           HB3      ARG   9   0.503   8.428   7.313
   59   1HG   ARG   9           HG2      ARG   9   2.194   9.218   9.009
   60   2HG   ARG   9           HG3      ARG   9   2.555   7.544   9.398
   61   1HD   ARG   9           HD2      ARG   9   2.873   8.649   6.584
   62   2HD   ARG   9           HD3      ARG   9   4.159   8.515   7.780
   63    HE   ARG   9           HNE      ARG   9   4.022   6.140   7.826
   64   1HH1  ARG   9          HN21      ARG   9   2.257   7.394   5.042
   65   2HH1  ARG   9          HN22      ARG   9   1.654   5.821   4.596
   66   1HH2  ARG   9          HN11      ARG   9   3.261   4.260   7.351
   67   2HH2  ARG   9          HN12      ARG   9   1.884   4.004   6.273
   68    H    LYS  10           HN       LYS  10  -2.653   8.922   9.832
   69    HA   LYS  10           HA       LYS  10  -3.587   6.494  10.939
   70   1HB   LYS  10           HB2      LYS  10  -4.895   9.021  10.125
   71   2HB   LYS  10           HB3      LYS  10  -5.940   7.593  10.213
   72   1HG   LYS  10           HG2      LYS  10  -5.123   7.093  12.439
   73   2HG   LYS  10           HG3      LYS  10  -4.173   8.587  12.535
   74   1HD   LYS  10           HD2      LYS  10  -6.350   9.847  12.029
   75   2HD   LYS  10           HD3      LYS  10  -7.199   8.297  12.120
   76   1HE   LYS  10           HE2      LYS  10  -5.822   9.838  14.342
   77   2HE   LYS  10           HE3      LYS  10  -7.486   9.255  14.256
   78   1HZ   LYS  10          HNZ2      LYS  10  -6.418   6.925  14.362
   79   2HZ   LYS  10          HNZ3      LYS  10  -5.044   7.676  14.749
   80   3HZ   LYS  10          HNZ1      LYS  10  -6.320   7.886  15.710
   81    H    THR  11           HN       THR  11  -5.177   7.179   8.084
   82    HA   THR  11           HA       THR  11  -5.940   4.513   7.666
   83    HB   THR  11           HB       THR  11  -6.197   5.302   5.178
   84    HG1  THR  11           HOG      THR  11  -4.651   7.053   5.510
   85   1HG2  THR  11           HG2      THR  11  -7.531   6.810   7.478
   86   2HG2  THR  11           HG3      THR  11  -8.134   6.704   5.812
   87   3HG2  THR  11           HG1      THR  11  -8.052   5.243   6.817
   88    H    MET  12           HN       MET  12  -2.726   5.789   6.994
   89    HA   MET  12           HA       MET  12  -2.293   3.734   4.907
   90   1HB   MET  12           HB2      MET  12  -0.238   5.844   5.847
   91   2HB   MET  12           HB3      MET  12  -0.185   4.958   4.366
   92   1HG   MET  12           HG2      MET  12  -0.821   7.252   3.822
   93   2HG   MET  12           HG3      MET  12  -2.330   6.374   3.687
   94   1HE   MET  12           HE3      MET  12  -3.579   8.691   3.689
   95   2HE   MET  12           HE1      MET  12  -3.295   9.966   4.896
   96   3HE   MET  12           HE2      MET  12  -2.002   9.521   3.758
   97    H    TYR  13           HN       TYR  13  -2.633   2.730   7.449
   98    HA   TYR  13           HA       TYR  13  -1.571   1.263   9.105
   99   1HB   TYR  13           HB2      TYR  13  -1.882   0.163   6.540
  100   2HB   TYR  13           HB3      TYR  13  -0.648  -0.550   7.571
  101    HD1  TYR  13           HD1      TYR  13  -4.015   0.798   7.829
  102    HD2  TYR  13           HD2      TYR  13  -1.352  -2.242   9.292
  103    HE1  TYR  13           HE1      TYR  13  -5.889  -0.205   9.153
  104    HE2  TYR  13           HE2      TYR  13  -3.156  -3.190  10.623
  105    HH   TYR  13           HOH      TYR  13  -6.496  -1.931  10.578
  106    H    ASP  14           HN       ASP  14   0.160   3.187   9.557
  107    HA   ASP  14           HA       ASP  14   2.866   2.597   8.621
  108   1HB   ASP  14           HB2      ASP  14   1.779   4.815   9.462
  109   2HB   ASP  14           HB3      ASP  14   2.258   4.144  11.049
  110    H    CYS  15           HN       CYS  15   1.086   1.164  11.075
  111    HA   CYS  15           HA       CYS  15   2.927   1.425  13.197
  112   1HB   CYS  15           HB2      CYS  15   0.462  -0.169  12.472
  113   2HB   CYS  15           HB3      CYS  15   0.648  -0.145  14.142
  114    H    CYS  16           HN       CYS  16   3.680  -0.273  11.313
  115    HA   CYS  16           HA       CYS  16   4.688  -2.228  10.468
  116   1HB   CYS  16           HB2      CYS  16   5.473  -2.492  13.332
  117   2HB   CYS  16           HB3      CYS  16   4.903  -3.984  12.783
  118    H    SER  17           HN       SER  17   2.336  -2.671  13.139
  119    HA   SER  17           HA       SER  17   0.289  -3.726  11.635
  120   1HB   SER  17           HB2      SER  17   0.306  -6.009  13.024
  121   2HB   SER  17           HB3      SER  17   0.829  -5.784  11.383
  122    HG   SER  17           HOG      SER  17   2.576  -5.484  13.642
  123    H    GLY  18           HN       GLY  18  -1.357  -3.792  13.296
  124   1HA   GLY  18           HA2      GLY  18  -2.422  -3.389  15.488
  125   2HA   GLY  18           HA3      GLY  18  -0.905  -2.612  15.982
  126    H    SER  19           HN       SER  19  -2.874  -0.696  15.907
  127    HA   SER  19           HA       SER  19  -2.596   0.501  13.198
  128   1HB   SER  19           HB2      SER  19  -5.332   0.401  13.162
  129   2HB   SER  19           HB3      SER  19  -4.350  -0.994  12.732
  130    HG   SER  19           HOG      SER  19  -5.421  -0.463  15.315
  131    H    CYS  20           HN       CYS  20  -3.350   2.642  12.875
  132    HA   CYS  20           HA       CYS  20  -3.055   4.329  15.145
  133   1HB   CYS  20           HB2      CYS  20  -2.241   4.398  12.597
  134   2HB   CYS  20           HB3      CYS  20  -3.860   4.998  12.319
  135    H    GLY  21           HN       GLY  21  -4.954   3.267  16.134
  136   1HA   GLY  21           HA2      GLY  21  -7.624   3.738  14.901
  137   2HA   GLY  21           HA3      GLY  21  -7.214   2.744  16.312
  138    H    ARG  22           HN       ARG  22  -5.914   5.676  17.094
  139    HA   ARG  22           HA       ARG  22  -8.407   7.042  17.821
  140   1HB   ARG  22           HB2      ARG  22  -7.886   6.997  20.283
  141   2HB   ARG  22           HB3      ARG  22  -8.539   5.549  19.540
  142   1HG   ARG  22           HG2      ARG  22  -6.293   4.490  19.480
  143   2HG   ARG  22           HG3      ARG  22  -5.613   5.879  20.324
  144   1HD   ARG  22           HD2      ARG  22  -7.582   5.435  22.041
  145   2HD   ARG  22           HD3      ARG  22  -7.550   3.804  21.375
  146    HE   ARG  22           HNE      ARG  22  -5.707   5.095  23.193
  147   1HH1  ARG  22          HN12      ARG  22  -5.702   2.692  20.607
  148   2HH1  ARG  22          HN11      ARG  22  -4.182   1.985  21.121
  149   1HH2  ARG  22          HN21      ARG  22  -3.788   4.140  23.887
  150   2HH2  ARG  22          HN22      ARG  22  -3.064   2.817  23.008
  151    H    ARG  23           HN       ARG  23  -5.556   7.591  19.699
  152    HA   ARG  23           HA       ARG  23  -5.732  10.355  19.652
  153   1HB   ARG  23           HB2      ARG  23  -3.679  10.166  21.000
  154   2HB   ARG  23           HB3      ARG  23  -4.889   8.955  21.434
  155   1HG   ARG  23           HG2      ARG  23  -3.599   7.353  19.789
  156   2HG   ARG  23           HG3      ARG  23  -2.321   8.552  19.844
  157   1HD   ARG  23           HD2      ARG  23  -2.073   8.235  22.247
  158   2HD   ARG  23           HD3      ARG  23  -3.542   7.237  22.280
  159    HE   ARG  23           HNE      ARG  23  -1.746   6.087  20.404
  160   1HH1  ARG  23          HN22      ARG  23  -2.307   6.414  23.913
  161   2HH1  ARG  23          HN21      ARG  23  -1.344   5.038  24.317
  162   1HH2  ARG  23          HN11      ARG  23  -0.803   4.018  21.032
  163   2HH2  ARG  23          HN12      ARG  23  -0.561   3.691  22.720
  164    H    GLY  24           HN       GLY  24  -4.782   8.840  16.926
  165   1HA   GLY  24           HA2      GLY  24  -3.454   9.433  15.084
  166   2HA   GLY  24           HA3      GLY  24  -3.197  11.026  15.805
  167    H    LYS  25           HN       LYS  25  -2.412   7.852  17.240
  168    HA   LYS  25           HA       LYS  25   0.306   8.008  16.618
  169   1HB   LYS  25           HB2      LYS  25   0.194   7.688  19.561
  170   2HB   LYS  25           HB3      LYS  25   1.467   8.251  18.595
  171   1HG   LYS  25           HG2      LYS  25  -0.897  10.057  19.094
  172   2HG   LYS  25           HG3      LYS  25   0.411   9.912  20.241
  173   1HD   LYS  25           HD2      LYS  25   1.980  10.955  18.927
  174   2HD   LYS  25           HD3      LYS  25   1.175  10.625  17.411
  175   1HE   LYS  25           HE2      LYS  25   0.184  12.593  19.535
  176   2HE   LYS  25           HE3      LYS  25   0.997  12.998  18.014
  177   1HZ   LYS  25          HNZ1      LYS  25  -0.879  11.910  16.849
  178   2HZ   LYS  25          HNZ2      LYS  25  -1.725  11.829  18.247
  179   3HZ   LYS  25          HNZ3      LYS  25  -1.277  13.267  17.602
  180    H    CYS  26           HN       CYS  26   0.773   5.910  16.781
  181    HA   CYS  26           HA       CYS  26  -1.291   4.200  16.329
  182   1HB   CYS  26           HB2      CYS  26   1.483   2.830  16.620
  183   2HB   CYS  26           HB3      CYS  26   0.216   2.142  17.347
  184   1H    NH2  27          HN11      CYS  26  -2.692   2.438  19.084
  185   2H    NH2  27          HN12      CYS  26  -2.777   2.699  17.341
   
  No H/Q in entry =         185
  Start of MODEL          15
 Raw file had  192 H/Q atoms
  Start of MODEL   15
    1   1H    CYS   1           HN2      CYS   1   9.186  -0.441   9.946
    2   2H    CYS   1           HN3      CYS   1   8.696  -0.550   8.336
    3   3H    CYS   1           HN1      CYS   1   9.140   0.893   9.014
    4    HA   CYS   1           HA       CYS   1   6.895   1.018   8.954
    5   1HB   CYS   1           HB2      CYS   1   5.419  -0.638   9.983
    6   2HB   CYS   1           HB3      CYS   1   6.292  -1.277   8.729
    7    H    LYS   2           HN       LYS   2   5.562   1.530  10.855
    8    HA   LYS   2           HA       LYS   2   7.283   2.577  13.054
    9   1HB   LYS   2           HB3      LYS   2   5.050   3.552  11.617
   10   2HB   LYS   2           HB2      LYS   2   4.314   2.980  12.998
   11   1HG   LYS   2           HG2      LYS   2   4.713   5.028  13.757
   12   2HG   LYS   2           HG3      LYS   2   6.197   4.298  14.368
   13   1HD   LYS   2           HD2      LYS   2   7.555   5.384  12.911
   14   2HD   LYS   2           HD3      LYS   2   6.512   5.106  11.533
   15   1HE   LYS   2           HE2      LYS   2   6.109   7.276  13.619
   16   2HE   LYS   2           HE3      LYS   2   6.689   7.516  11.966
   17   1HZ   LYS   2          HNZ2      LYS   2   4.061   6.254  12.437
   18   2HZ   LYS   2          HNZ3      LYS   2   4.241   7.890  12.494
   19   3HZ   LYS   2          HNZ1      LYS   2   4.497   6.984  11.127
   20    H    GLY   3           HN       GLY   3   6.047   2.632  15.257
   21   1HA   GLY   3           HA2      GLY   3   3.656   1.303  15.456
   22   2HA   GLY   3           HA3      GLY   3   4.672   0.073  16.059
   23    H    LYS   4           HN       LYS   4   4.920   0.404  18.260
   24    HA   LYS   4           HA       LYS   4   2.887   1.598  19.371
   25   1HB   LYS   4           HB2      LYS   4   4.106  -0.178  20.688
   26   2HB   LYS   4           HB3      LYS   4   5.487   0.914  20.879
   27   1HG   LYS   4           HG2      LYS   4   4.324   2.240  22.487
   28   2HG   LYS   4           HG3      LYS   4   2.762   1.533  22.018
   29   1HD   LYS   4           HD2      LYS   4   3.498  -0.685  22.865
   30   2HD   LYS   4           HD3      LYS   4   5.082  -0.003  23.258
   31   1HE   LYS   4           HE2      LYS   4   3.719  -0.194  25.289
   32   2HE   LYS   4           HE3      LYS   4   3.990   1.518  24.930
   33   1HZ   LYS   4          HNZ3      LYS   4   1.500   0.060  24.214
   34   2HZ   LYS   4          HNZ1      LYS   4   1.656   1.100  25.492
   35   3HZ   LYS   4          HNZ2      LYS   4   1.766   1.606  23.993
   36    H    GLY   5           HN       GLY   5   2.081   3.302  20.221
   37   1HA   GLY   5           HA2      GLY   5   1.468   5.360  20.104
   38   2HA   GLY   5           HA3      GLY   5   2.509   5.658  21.420
   39    H    ALA   6           HN       ALA   6   3.739   4.737  18.104
   40    HA   ALA   6           HA       ALA   6   5.256   7.175  18.047
   41   1HB   ALA   6           HB1      ALA   6   5.856   5.022  17.002
   42   2HB   ALA   6           HB2      ALA   6   4.452   5.193  15.918
   43   3HB   ALA   6           HB3      ALA   6   5.818   6.344  15.802
   44    HA   PRO   7           HA       PRO   7   1.956   9.780  16.355
   45   1HB   PRO   7           HB2      PRO   7   3.380  11.653  14.962
   46   2HB   PRO   7           HB3      PRO   7   3.194  11.624  16.738
   47   1HG   PRO   7           HG2      PRO   7   5.533  10.653  15.108
   48   2HG   PRO   7           HG3      PRO   7   5.503  11.564  16.652
   49   1HD   PRO   7           HD3      PRO   7   5.915   8.849  16.491
   50   2HD   PRO   7           HD2      PRO   7   5.146   9.625  17.910
   51    H    CYS   8           HN       CYS   8   0.719   9.028  14.604
   52    HA   CYS   8           HA       CYS   8   2.111   7.812  12.301
   53   1HB   CYS   8           HB2      CYS   8   0.807   5.758  12.785
   54   2HB   CYS   8           HB3      CYS   8   1.950   6.141  14.084
   55    H    ARG   9           HN       ARG   9   0.887   7.036  10.649
   56    HA   ARG   9           HA       ARG   9  -1.029   9.155   9.958
   57   1HB   ARG   9           HB2      ARG   9   1.054   7.719   8.318
   58   2HB   ARG   9           HB3      ARG   9   0.025   9.093   7.880
   59   1HG   ARG   9           HG2      ARG   9   1.053  10.101  10.189
   60   2HG   ARG   9           HG3      ARG   9   2.358   9.004   9.797
   61   1HD   ARG   9           HD2      ARG   9   2.882  11.136   8.841
   62   2HD   ARG   9           HD3      ARG   9   2.302  10.191   7.443
   63    HE   ARG   9           HNE      ARG   9   0.056  11.415   8.652
   64   1HH1  ARG   9          HN22      ARG   9   2.928  12.538   6.985
   65   2HH1  ARG   9          HN21      ARG   9   2.290  14.116   6.618
   66   1HH2  ARG   9          HN12      ARG   9  -0.802  13.409   8.277
   67   2HH2  ARG   9          HN11      ARG   9   0.036  14.632   7.356
   68    H    LYS  10           HN       LYS  10  -3.093   8.123   9.955
   69    HA   LYS  10           HA       LYS  10  -3.161   5.229  10.414
   70   1HB   LYS  10           HB2      LYS  10  -5.725   6.744  10.189
   71   2HB   LYS  10           HB3      LYS  10  -5.169   5.640  11.418
   72   1HG   LYS  10           HG2      LYS  10  -5.489   7.654  12.494
   73   2HG   LYS  10           HG3      LYS  10  -3.766   7.733  12.355
   74   1HD   LYS  10           HD2      LYS  10  -4.628   8.970   9.915
   75   2HD   LYS  10           HD3      LYS  10  -6.046   9.067  10.857
   76   1HE   LYS  10           HE2      LYS  10  -4.870  11.137  11.195
   77   2HE   LYS  10           HE3      LYS  10  -4.736  10.257  12.724
   78   1HZ   LYS  10          HNZ2      LYS  10  -2.674  10.378  10.611
   79   2HZ   LYS  10          HNZ3      LYS  10  -2.666  11.338  11.858
   80   3HZ   LYS  10          HNZ1      LYS  10  -2.394   9.734  12.098
   81    H    THR  11           HN       THR  11  -2.520   5.924   7.603
   82    HA   THR  11           HA       THR  11  -4.909   4.791   6.193
   83    HB   THR  11           HB       THR  11  -3.738   5.878   4.196
   84    HG1  THR  11           HOG      THR  11  -2.133   7.430   4.809
   85   1HG2  THR  11           HG3      THR  11  -5.617   6.999   5.402
   86   2HG2  THR  11           HG1      THR  11  -4.452   7.760   6.505
   87   3HG2  THR  11           HG2      THR  11  -4.440   8.168   4.778
   88    H    MET  12           HN       MET  12  -1.584   4.819   5.030
   89    HA   MET  12           HA       MET  12  -1.856   2.037   4.320
   90   1HB   MET  12           HB2      MET  12   0.804   3.660   4.277
   91   2HB   MET  12           HB3      MET  12   0.507   2.200   3.414
   92   1HG   MET  12           HG2      MET  12   0.480   4.059   1.829
   93   2HG   MET  12           HG3      MET  12  -1.175   3.506   1.930
   94   1HE   MET  12           HE2      MET  12  -0.392   6.082   0.451
   95   2HE   MET  12           HE3      MET  12  -2.084   5.602   0.741
   96   3HE   MET  12           HE1      MET  12  -1.552   7.260   1.109
   97    H    TYR  13           HN       TYR  13  -2.119   2.265   7.084
   98    HA   TYR  13           HA       TYR  13  -1.547   0.970   9.039
   99   1HB   TYR  13           HB2      TYR  13  -1.082  -0.732   6.797
  100   2HB   TYR  13           HB3      TYR  13  -0.356  -1.093   8.383
  101    HD1  TYR  13           HD1      TYR  13  -3.437   0.292   7.055
  102    HD2  TYR  13           HD2      TYR  13  -1.831  -2.467   9.908
  103    HE1  TYR  13           HE1      TYR  13  -5.666   0.175   8.155
  104    HE2  TYR  13           HE2      TYR  13  -4.039  -2.776  10.875
  105    HH   TYR  13           HOH      TYR  13  -6.282  -2.207  10.789
  106    H    ASP  14           HN       ASP  14  -0.104   3.160   8.934
  107    HA   ASP  14           HA       ASP  14   2.769   3.132   8.975
  108   1HB   ASP  14           HB2      ASP  14   1.376   5.126   9.184
  109   2HB   ASP  14           HB3      ASP  14   0.612   4.611  10.581
  110    H    CYS  15           HN       CYS  15   0.631   1.749  11.317
  111    HA   CYS  15           HA       CYS  15   2.569   1.526  13.441
  112   1HB   CYS  15           HB2      CYS  15  -0.177   0.582  12.694
  113   2HB   CYS  15           HB3      CYS  15   0.277   0.180  14.305
  114    H    CYS  16           HN       CYS  16   2.853   0.043  11.220
  115    HA   CYS  16           HA       CYS  16   3.585  -1.925  10.094
  116   1HB   CYS  16           HB2      CYS  16   4.437  -2.087  12.886
  117   2HB   CYS  16           HB3      CYS  16   3.897  -3.611  12.507
  118    H    SER  17           HN       SER  17   1.163  -2.311  12.503
  119    HA   SER  17           HA       SER  17   0.318  -5.100  11.766
  120   1HB   SER  17           HB2      SER  17   0.826  -5.786  14.033
  121   2HB   SER  17           HB3      SER  17   2.265  -5.313  13.131
  122    HG   SER  17           HOG      SER  17   2.024  -3.172  14.174
  123    H    GLY  18           HN       GLY  18  -0.164  -3.841  14.637
  124   1HA   GLY  18           HA2      GLY  18  -3.071  -3.410  14.696
  125   2HA   GLY  18           HA3      GLY  18  -1.911  -2.746  15.868
  126    H    SER  19           HN       SER  19  -3.633  -0.852  15.409
  127    HA   SER  19           HA       SER  19  -2.788   0.641  12.943
  128   1HB   SER  19           HB2      SER  19  -5.507   0.995  12.970
  129   2HB   SER  19           HB3      SER  19  -4.747  -0.467  12.339
  130    HG   SER  19           HOG      SER  19  -6.479  -0.827  13.865
  131    H    CYS  20           HN       CYS  20  -3.216   2.933  12.829
  132    HA   CYS  20           HA       CYS  20  -2.716   4.216  15.343
  133   1HB   CYS  20           HB2      CYS  20  -1.704   4.701  12.967
  134   2HB   CYS  20           HB3      CYS  20  -3.279   5.383  12.603
  135    H    GLY  21           HN       GLY  21  -4.845   3.269  16.028
  136   1HA   GLY  21           HA2      GLY  21  -7.225   4.913  15.199
  137   2HA   GLY  21           HA3      GLY  21  -7.208   3.315  15.958
  138    H    ARG  22           HN       ARG  22  -5.322   4.229  18.025
  139    HA   ARG  22           HA       ARG  22  -7.410   4.785  19.884
  140   1HB   ARG  22           HB2      ARG  22  -5.602   3.258  20.228
  141   2HB   ARG  22           HB3      ARG  22  -4.405   4.543  20.285
  142   1HG   ARG  22           HG2      ARG  22  -5.792   5.419  22.340
  143   2HG   ARG  22           HG3      ARG  22  -6.612   3.853  22.264
  144   1HD   ARG  22           HD2      ARG  22  -3.668   4.427  22.763
  145   2HD   ARG  22           HD3      ARG  22  -4.825   3.667  23.876
  146    HE   ARG  22           HNE      ARG  22  -4.693   2.041  21.555
  147   1HH1  ARG  22          HN11      ARG  22  -2.480   2.959  24.213
  148   2HH1  ARG  22          HN12      ARG  22  -1.308   1.773  23.769
  149   1HH2  ARG  22          HN21      ARG  22  -3.225   0.399  21.127
  150   2HH2  ARG  22          HN22      ARG  22  -1.734   0.287  22.037
  151    H    ARG  23           HN       ARG  23  -4.548   6.706  19.013
  152    HA   ARG  23           HA       ARG  23  -5.722   9.124  20.408
  153   1HB   ARG  23           HB2      ARG  23  -3.571   9.179  21.677
  154   2HB   ARG  23           HB3      ARG  23  -4.603   7.790  22.018
  155   1HG   ARG  23           HG2      ARG  23  -3.276   6.343  20.584
  156   2HG   ARG  23           HG3      ARG  23  -2.309   7.705  20.027
  157   1HD   ARG  23           HD2      ARG  23  -1.166   7.844  22.063
  158   2HD   ARG  23           HD3      ARG  23  -2.402   6.929  22.945
  159    HE   ARG  23           HNE      ARG  23  -1.294   5.320  20.815
  160   1HH1  ARG  23          HN11      ARG  23  -0.336   6.533  24.036
  161   2HH1  ARG  23          HN12      ARG  23   0.229   4.953  24.533
  162   1HH2  ARG  23          HN22      ARG  23  -0.355   3.453  21.362
  163   2HH2  ARG  23          HN21      ARG  23   0.289   3.176  22.960
  164    H    GLY  24           HN       GLY  24  -4.954   8.806  17.274
  165   1HA   GLY  24           HA2      GLY  24  -3.650   9.975  15.770
  166   2HA   GLY  24           HA3      GLY  24  -3.391  11.229  16.994
  167    H    LYS  25           HN       LYS  25  -2.495   7.847  17.327
  168    HA   LYS  25           HA       LYS  25   0.253   8.040  17.103
  169   1HB   LYS  25           HB2      LYS  25   0.115   7.390  19.954
  170   2HB   LYS  25           HB3      LYS  25   1.284   8.170  19.007
  171   1HG   LYS  25           HG2      LYS  25  -0.009  10.329  18.942
  172   2HG   LYS  25           HG3      LYS  25  -0.958   9.649  20.277
  173   1HD   LYS  25           HD2      LYS  25   1.381   9.092  21.321
  174   2HD   LYS  25           HD3      LYS  25   2.044  10.133  20.068
  175   1HE   LYS  25           HE2      LYS  25   1.845  11.684  21.773
  176   2HE   LYS  25           HE3      LYS  25   0.306  11.925  20.934
  177   1HZ   LYS  25          HNZ1      LYS  25  -0.618  10.324  22.664
  178   2HZ   LYS  25          HNZ2      LYS  25   0.782  10.368  23.408
  179   3HZ   LYS  25          HNZ3      LYS  25  -0.083  11.748  23.286
  180    H    CYS  26           HN       CYS  26   0.816   5.891  17.206
  181    HA   CYS  26           HA       CYS  26  -0.967   4.066  16.583
  182   1HB   CYS  26           HB2      CYS  26   1.701   2.875  17.165
  183   2HB   CYS  26           HB3      CYS  26   0.506   2.126  18.120
  184   1H    NH2  27          HN11      CYS  26  -2.595   2.559  17.287
  185   2H    NH2  27          HN12      CYS  26  -3.067   2.481  18.956
   
  No H/Q in entry =         185
   
  No H/Q in entry =         185