BMRB - Biological Magnetic Resonance Bank

CYS HB3 Chemical Shift Outliers

Average chemical shift: 2.893
Standard deviation: 0.438

Low-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
274	17	HB3	7.17	1
821	41	HB3	18.6	2
821	46	HB3	26.65	2
822	41	HB3	17.9	2
822	46	HB3	25.8	2
1133	16	HB3	21.8	1
1133	45	HB3	15.3	1
1134	16	HB3	21.1	1
1134	45	HB3	15.5	1
1439	41	HB3	24.72	1
1439	46	HB3	16.89	1
2196	22	HB3	4.41	2
2219	43	HB3	33.22	2
2219	46	HB3	25.11	2
2219	63	HB3	36.1	2
2219	77	HB3	29.43	2
2220	46	HB3	24.9	1
2220	77	HB3	29.19	1
2221	46	HB3	23.41	1
2221	63	HB3	112.15	1
2221	77	HB3	30.96	1
2222	46	HB3	23.08	1
2222	63	HB3	117.33	1
2222	77	HB3	31.36	1
4042	33	HB3	7.72	2
4042	50	HB3	4.70	2
4042	66	HB3	6.00	2
4063	135	HB3	4.65	1
4229	13	HB3	16.10	2
4229	16	HB3	4.232	2
4229	20	HB3	11.06	2
4229	39	HB3	10.77	2
4229	42	HB3	15.30	2
4229	45	HB3	4.922	2
4229	49	HB3	13.15	2
4229	8	HB3	10.12	2
4231	13	HB3	16.102
4231	16	HB3	4.232
4231	20	HB3	11.062
4231	39	HB3	10.772
4231	42	HB3	15.302
4231	45	HB3	4.922
4231	49	HB3	13.152
4231	8	HB3	10.122
4268	16	HB3	6.6	1
4268	20	HB3	9.0	1
4268	39	HB3	9.0	1
4268	42	HB3	15.8	1
4268	45	HB3	5.2	1
4268	49	HB3	32.2	1
4439	46	HB3	30	1
4439	52	HB3	30	1
4439	55	HB3	30	1
4439	92	HB3	30	1
4440	55	HB3	103	1
4440	92	HB3	80	1
4441	41	HB3	38	1
4441	46	HB3	38	1
4441	49	HB3	38	1
4441	79	HB3	38	1
4442	41	HB3	16.7	1
4442	46	HB3	24.4	1
4442	49	HB3	125.0	1
4442	79	HB3	98.0	1
4509	3	HB3	4.602
4587	3	HB3	4.37	2
4777	17	HB3	9.24	1
4837	96	HB3	4.31	1
4859	9	HB3	4.45	1
5115	5	HB3	4.33	2
5239	100	HB3	4.21	2
5323	8	HB3	4.264	2
5625	105	HB3	4.29	2
5625	51	HB3	5.13	2
5633	45	HB3	4.456
5653	45	HB3	4.456
5767	3	HB3	4.418	2
6634	51	HB3	5.17	2
6753	134	HB3	4.2300
7109	32	HB3	4.274	2
7210	13	HB3	4.686	2
15280	39	HB3	4.475	1
15375	39	HB3	167.640	2
15375	42	HB3	270.560	2
15375	6	HB3	162.630	2
15375	9	HB3	363.580	2
16413	32	HB3	4.248	2
16737	128	HB3	4.39	1
16849	39	HB3	167.640	2
16849	42	HB3	270.560	2
16849	6	HB3	162.630	2
16849	9	HB3	363.580	2
17144	17	HB3	9.24	2
18218	71	HB3	4.233	2
18354	11	HB3	4.278
18874	13	HB3	4.681	2
18963	10	HB3	4.76	2
18963	10	HB3	4.77	2
19697	5	HB3	4.297	2
19854	85	HB3	7.558	2
25221	4	HB3	4.513	2
25225	22	HB3	4.390	1
25226	22	HB3	4.390	1
25506	7	HB3	4.376
25738	7	HB3	4.42	2
25739	7	HB3	4.34	2
25925	14	HB3	4.2560	2
26963	34	HB3	4.294	2
27434	260	HB3	4.9	1
27987	27	HB3	5.018	2
30412	8	HB3	4.235	1
31219	8	HB3	4.511	2
34072	101	HB3	4.471	2
34487	22	HB3	16.600	2
34487	25	HB3	8.090	2
34487	34	HB3	5.754	2
34487	47	HB3	7.990	2
34547	22	HB3	4.390	1
34548	22	HB3	4.390	1
34671	3	HB3	4.396	1
34803	155	HB3	4.351
34963	50	HB3	4.334
36439	28	HB3	4.344
53727	35	HB3	4.393	2

High-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
131	19	HB3	.98	1
131	22	HB3	1.51	1
243	14	HB3	1.15	1
443	110	HB3	1.1	2
480	40	HB3	1.33	1
481	40	HB3	1.33	1
1677	14	HB3	1.28	1
2220	43	HB3	-30.44	1
2221	43	HB3	-40.29	1
2222	43	HB3	-44.2	1
3485	11	HB3	.14	2
4068	38	HB3	1.53	1
4138	34	HB3	1.08	2
4158	132	HB3	1.48	2
4186	95	HB3	-0.28	2
4189	17	HB3	1.54	1
4208	13	HB3	0.77	1
4263	39	HB3	1.57	2
4291	105	HB3	1.317	1
4321	156	HB3	0.32	2
4370	111	HB3	1.02	1
4435	104	HB3	0.12	1
4435	37	HB3	-2.84	1
4435	49	HB3	0.68	2
4435	86	HB3	-1.66	2
4436	54	HB3	1.32	1
4440	46	HB3	-10	1
4440	52	HB3	-15	1
4510	15	HB3	1.54	1
4566	95	HB3	1.06	2
4656	4	HB3	1.45
4681	96	HB3	-0.02
4682	96	HB3	0.01
4682	96	HB3	0.06
4743	29	HB3	1.18	2
4743	65	HB3	1.50	2
4744	29	HB3	1.061
4761	118	HB3	1.18	2
4830	116	HB3	1.54	2
4830	29	HB3	0.60	2
4837	49	HB3	-0.03	2
4879	126	HB3	1.09	1
4925	38	HB3	0.82	1
4930	17	HB3	1.48	1
4930	33	HB3	0.88	1
4933	17	HB3	1.48	1
4933	33	HB3	0.88	1
4938	123	HB3	0.0	2
4943	80	HB3	1.31	2
4960	15	HB3	1.05	1
4976	42	HB3	1.43
4979	24	HB3	1.30	1
5005	23	HB3	1.25	1
5033	42	HB3	1.44	1
5044	87	HB3	0.524	1
5048	96	HB3	0.48	1
5068	81	HB3	1.27	2
5072	62	HB3	1.422	2
5086	13	HB3	0.91	2
5088	14	HB3	0.90	2
5100	33	HB3	1.55	2
5100	33	HB3	1.57	2
5130	81	HB3	1.181
5142	81	HB3	1.091
5179	71	HB3	0.630
5198	15	HB3	0.94	2
5203	48	HB3	1.153	2
5239	46	HB3	-1.22	2
5272	17	HB3	1.06	1
5276	16	HB3	0.97	2
5279	29	HB3	1.087
5279	52	HB3	-0.489
5279	62	HB3	-0.309
5304	17	HB3	1.21	2
5304	65	HB3	1.52	2
5319	96	HB3	0.31	1
5333	105	HB3	1.25	1
5372	14	HB3	1.09	1
5372	17	HB3	1.51	1
5406	17	HB3	1.559	2
5466	6	HB3	0.84
5473	24	HB3	1.366	2
5506	51	HB3	1.45	1
5516	102	HB3	1.00	1
5541	116	HB3	0.85	1
5555	23	HB3	1.559
5565	37	HB3	0.56	2
5572	37	HB3	0.89	1
5578	95	HB3	-0.03
5579	95	HB3	-0.02
5583	4	HB3	1.16	1
5597	14	HB3	0.74	1
5625	100	HB3	-0.15	2
5625	33	HB3	-2.75	2
5625	46	HB3	0.04	2
5625	82	HB3	-1.58	2
5688	82	HB3	1.02	1
5742	45	HB3	1.209
5771	37	HB3	1.03	2
5774	62	HB3	1.49	2
5804	81	HB3	1.17	2
5827	17	HB3	0.49	2
5884	15	HB3	0.985	1
5939	46	HB3	1.488	2
6032	52	HB3	-0.83
6053	38	HB3	0.90	1
6059	58	HB3	1.09
6071	52	HB3	-0.79	1
6073	152	HB3	0.52
6111	68	HB3	1.27	1
6132	76	HB3	1.17	2
6159	17	HB3	1.478	2
6166	53	HB3	0.6281
6171	53	HB3	0.6461
6179	39	HB3	0.780	2
6180	39	HB3	0.873	2
6228	30	HB3	1.511	2
6253	114	HB3	1.055	1
6283	55	HB3	-0.70	1
6298	99	HB3	1.01
6299	31	HB3	1.423	2
6338	58	HB3	0.712	2
6392	92	HB3	0.94	1
6393	92	HB3	1.00	1
6401	42	HB3	1.017	2
6415	81	HB3	1.26	2
6442	30	HB3	1.54	1
6506	57	HB3	1.363	2
6525	42	HB3	1.356	1
6551	20	HB3	1.346
6565	124	HB3	0.82	2
6565	59	HB3	1.18	2
6597	29	HB3	1.575	2
6626	85	HB3	1.26	2
6634	100	HB3	-0.12	2
6634	33	HB3	-2.81	2
6634	46	HB3	0.00	2
6634	82	HB3	-1.52	2
6685	101	HB3	0.629	2
6880	17	HB3	1.09	2
6882	45	HB3	0.832	2
6885	82	HB3	1.44	2
6963	60	HB3	1.449	1
6963	60	HB3	1.496	1
6966	16	HB3	0.71	2
6967	13	HB3	1.38	2
7063	72	HB3	-0.312	2
7103	114	HB3	0.05	2
7103	126	HB3	1.08	2
7108	29	HB3	1.294	2
7119	75	HB3	1.437	2
7160	80	HB3	1.27
7194	84	HB3	1.317	2
7231	171	HB3	0.906	2
7243	40	HB3	0.588	2
7304	37	HB3	0.566	2
7310	115	HB3	0.945	2
10025	49	HB3	0.213	2
10026	67	HB3	0.134	2
10080	50	HB3	1.093	2
10098	78	HB3	1.335	2
10108	50	HB3	1.568	2
10114	92	HB3	1.424	2
10125	58	HB3	0.718	2
10129	94	HB3	0.975	2
10264	53	HB3	1.225	2
10264	79	HB3	0.662	2
10300	92	HB3	0.868	2
10314	95	HB3	1.420	2
10316	38	HB3	0.807	2
11036	81	HB3	1.257	2
11061	33	HB3	1.360	2
11081	10	HB3	0.999	2
11082	10	HB3	0.631	2
11122	125	HB3	1.451	2
11129	46	HB3	0.620	2
11131	69	HB3	1.378	2
11175	37	HB3	0.604	1
11223	79	HB3	1.550	2
11230	80	HB3	1.480	2
11236	81	HB3	1.574	2
11247	135	HB3	0.890	2
11252	24	HB3	1.516	2
11272	44	HB3	1.297	2
11291	48	HB3	0.257	2
11295	79	HB3	1.400	2
11309	37	HB3	1.016	2
11333	26	HB3	0.689	2
11401	57	HB3	1.031	2
11468	76	HB3	1.044	2
12041	82	HB3	1.350	2
15007	73	HB3	0.2	2
15036	43	HB3	0.488	2
15038	106	HB3	1.372	2
15057	6	HB3	0.338	1
15088	85	HB3	0.496	2
15097	100	HB3	1.23000	2
15166	38	HB3	0.9420	2
15204	85	HB3	0.447	1
15276	91	HB3	1.02	2
15289	67	HB3	1.551	1
15320	32	HB3	1.02	2
15320	65	HB3	1.15	2
15377	26	HB3	1.408
15412	73	HB3	1.543	1
15431	50	HB3	1.44	2
15555	41	HB3	1.335	1
15606	58	HB3	1.093	2
15660	44	HB3	1.24	2
15765	61	HB3	1.371	2
15765	78	HB3	0.969	2
15881	55	HB3	0.901	2
15881	69	HB3	1.511	2
15928	29	HB3	1.211	2
15939	42	HB3	1.01	2
16018	108	HB3	1.532	1
16031	101	HB3	1.458	2
16032	101	HB3	1.511	2
16043	63	HB3	0.3610	2
16045	82	HB3	1.457	2
16094	57	HB3	1.533	2
16097	9	HB3	1.177	2
16099	40	HB3	1.448	2
16103	64	HB3	1.134	2
16109	42	HB3	1.013	2
16260	105	HB3	1.288	2
16374	23	HB3	1.510	2
16375	23	HB3	1.510	2
16443	100	HB3	0.031	1
16443	105	HB3	-0.635	2
16443	33	HB3	-3.157	1
16443	46	HB3	-1.460	2
16443	82	HB3	-1.873	1
16463	94	HB3	1.363	2
16606	90	HB3	1.049	2
16607	90	HB3	1.169	2
16666	53	HB3	1.334	2
16703	13	HB3	1.164	1
16704	13	HB3	1.324	1
16705	13	HB3	1.303	1
16705	5	HB3	0.628	1
16767	14	HB3	1.265	2
16841	29	HB3	1.57	1
17092	42	HB3	1.563	2
17112	67	HB3	1.2834	2
17144	14	HB3	1.02	2
17146	14	HB3	1.57	2
17146	17	HB3	1.34	2
17275	50	HB3	1.181	2
17277	40	HB3	0.296	2
17278	58	HB3	1.493	2
17287	124	HB3	1.578	2
17300	36	HB3	1.508	2
17344	23	HB3	1.136	2
17553	41	HB3	0.508	2
17576	115	HB3	1.037	2
17582	115	HB3	1.030	2
17620	88	HB3	1.256	2
17711	54	HB3	1.5732	2
17733	28	HB3	1.332
17812	21	HB3	1.576	2
17833	101	HB3	0.622	2
17838	8	HB3	-0.36	2
17904	22	HB3	1.517
17927	42	HB3	1.503	2
18046	100	HB3	1.200	2
18049	28	HB3	1.560	2
18345	41	HB3	1.446	2
18345	43	HB3	1.387	2
18471	45	HB3	1.492	2
18539	38	HB3	1.343	1
18540	42	HB3	0.895	1
18541	42	HB3	0.889	1
18551	79	HB3	1.31	2
18559	44	HB3	-0.094	2
18563	78	HB3	0.716	2
18599	113	HB3	1.420	2
18599	53	HB3	1.249	2
18607	5	HB3	1.441	2
18618	20	HB3	1.237
18642	61	HB3	1.4610	2
18701	67	HB3	1.515	2
18711	85	HB3	0.552	2
18870	86	HB3	1.418
18901	75	HB3	0.643
18908	91	HB3	1.188	2
18990	134	HB3	1.4290	2
19023	57	HB3	1.309	2
19074	23	HB3	1.52	2
19458	118	HB3	1.5234
19458	69	HB3	1.2632
19553	20	HB3	1.232	2
19621	18	HB3	1.488
19624	125	HB3	1.362	2
19646	68	HB3	1.536	2
19687	57	HB3	1.478	2
19947	28	HB3	1.47	1
25026	114	HB3	1.272	2
25149	40	HB3	1.309	2
25205	38	HB3	1.143	2
25232	27	HB3	1.255
25240	64	HB3	0.737	2
25379	163	HB3	1.539	1
25452	27	HB3	1.505	2
25477	51	HB3	0.535	1
25477	54	HB3	1.343	2
25477	65	HB3	1.097	2
25605	50	HB3	1.396	2
25610	29	HB3	0.350
25660	14	HB3	1.059	1
25660	17	HB3	0.427	1
25663	92	HB3	0.945
25690	69	HB3	0.5870	2
25907	14	HB3	1.217
25907	17	HB3	0.571
25979	41	HB3	0.412	2
26854	50	HB3	1.289	1
27159	129	HB3	1.412	1
27234	93	HB3	1.538	2
27254	14	HB3	1.432	2
27491	20	HB3	1.071	1
27518	97	HB3	0.69	1
27987	30	HB3	1.228	2
27987	50	HB3	0.439	2
27987	53	HB3	1.077	2
27987	64	HB3	1.152	2
28032	98	HB3	0.647
28042	64	HB3	0.412
30150	154	HB3	1.222	1
30290	35	HB3	1.470
30351	4	HB3	1.465
30543	10	HB3	1.118	2
30561	47	HB3	1.365
30648	35	HB3	1.303
30736	66	HB3	1.152	2
30824	64	HB3	0.350
30854	45	HB3	1.022	1
30911	71	HB3	1.542
30956	9	HB3	1.173	2
31130	10	HB3	1.379
31207	39	HB3	1.428	2
31208	39	HB3	1.385	2
31209	39	HB3	1.391	2
31210	39	HB3	1.505	2
31211	39	HB3	1.467	2
34131	94	HB3	1.264	2
34201	102	HB3	0.476	2
34399	97	HB3	1.46	2
34468	3	HB3	1.547	2
34468	38	HB3	1.208	2
34610	44	HB3	1.272
34618	55	HB3	0.376	2
34667	17	HB3	1.105
34775	13	HB3	1.501	1
34803	143	HB3	1.401
34803	84	HB3	1.555
34883	6	HB3	0.806
34890	52	HB3	1.426	2
34894	46	HB3	1.35	2
34965	61	HB3	1.150	2
34980	80	HB3	0.264	2
34981	80	HB3	0.264	2
34998	72	HB3	1.2255
36103	17	HB3	1.03	2
36272	87	HB3	1.152
36323	62	HB3	1.331
36324	63	HB3	1.27259
36345	38	HB3	1.364	2
36345	4	HB3	1.532	2
36771	36	HB3	0.982	2
50185	128	HB3	1.1160
50412	48	HB3	1.0412	2
50793	65	HB3	1.204	2
50808	96	HB3	0.668
50977	77	HB3	1.10
51351	50	HB3	1.291	2
51356	50	HB3	1.291	2
51358	50	HB3	1.294	2
52646	52	HB3	1.426	2