BMRB - Biological Magnetic Resonance Bank

PHE CB Chemical Shift Outliers

Average chemical shift: 39.886
Standard deviation: 2.032

Low-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
4110	48	CB	46.4	1
4150	68	CB	83.863
4150	76	CB	78.598
4150	81	CB	85.297
4232	13	CB	51.86	1
4232	22	CB	47.75	1
4232	26	CB	52.04	1
4232	29	CB	50.13	1
4232	75	CB	50.15	1
4232	78	CB	50.31	1
4391	8	CB	50.4	1
4413	44	CB	62.567	1
4579	56	CB	46.05	1
4712	124	CB	46.42	1
4897	66	CB	46.4	1
4898	56	CB	46.17	1
5179	19	CB	88.680
5179	32	CB	84.380
5179	35	CB	88.780
5179	69	CB	86.580
5789	96	CB	46.25	1
5884	75	CB	46.294	1
5946	47	CB	46.410	1
5981	88	CB	46.557	1
6057	128	CB	46.1	1
6090	47	CB	46.097	1
6093	11	CB	48.533	1
6199	122	CB	46.4	1
6248	32	CB	46.35	1
6465	34	CB	46.409	1
6786	47	CB	46.250	1
7095	32	CB	46.448	1
7175	61	CB	46.3	1
7216	229	CB	46.1	1
7270	77	CB	46.08	1
10236	87	CB	46.293	1
10237	87	CB	46.323	1
10238	133	CB	46.263	1
10239	142	CB	46.265	1
10251	47	CB	47.123	1
11055	24	CB	137.000	1
11103	78	CB	47.030	1
11162	40	CB	46.259	1
11163	41	CB	46.047	1
11257	31	CB	46.193	1
11293	59	CB	46.827	1
11306	65	CB	48.106	1
11313	37	CB	46.419	1
11336	44	CB	46.812	1
11340	47	CB	46.653	1
11351	70	CB	47.155	1
11546	138	CB	46.295	1
12018	220	CB	46.006	1
15014	28	CB	46.57	1
15039	81	CB	46.174	1
15064	229	CB	46.31	1
15134	78	CB	46.08	1
15560	120	CB	46.72	1
15684	120	CB	46.138
15688	81	CB	46.174	1
16059	236	CB	46.35	1
16107	103	CB	46.276	1
16384	63	CB	46.2	1
16565	229	CB	46.1	1
16729	109	CB	68.815	1
16729	215	CB	63.945	1
16893	38	CB	46.048	1
16894	38	CB	46.048	1
16900	38	CB	46.048	1
17006	97	CB	46.089	1
17036	65	CB	46.770	1
17279	87	CB	46.451	1
17414	120	CB	46.203	1
17418	165	CB	46.285
18124	28	CB	46.778	1
18941	57	CB	50.225	1
18993	75	CB	46.431	1
19156	55	CB	46.009	1
19317	28	CB	46.778	1
19739	65	CB	46.443
19915	17	CB	46.284
25172	33	CB	46.296	1
25278	66	CB	54.6	1
25382	30	CB	67.562
25382	31	CB	66.849
25382	41	CB	69.756
25382	54	CB	70.011
25385	60	CB	46.3088	1
25441	100	CB	47.0	1
25442	10	CB	341.700
25442	27	CB	339.826
25442	32	CB	339.305
25536	25	CB	46.912	1
25538	25	CB	46.882	1
25546	25	CB	46.737	1
25763	17	CB	46.0	1
25792	120	CB	55.621
26582	92	CB	46.078	1
26979	77	CB	46.071	1
27048	165	CB	46.596	1
27080	26	CB	55.807	1
27512	49	CB	56.739
30736	43	CB	46.972	1
30821	54	CB	46.555	1
34178	55	CB	46.350	1
34372	1	CB	53.266	1
34487	28	CB	52.302	1
34754	88	CB	46.169	1
36117	14	CB	46.052
36161	59	CB	46.3090	1
50172	146	CB	46.218	1
50174	146	CB	46.218	1
50176	146	CB	46.218	1
50177	146	CB	46.218	1
50421	74	CB	46.785
50744	168	CB	46.304	1
51179	44	CB	47.7722899112663
51384	41	CB	54.268	1

High-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
4186	15	CB	33.7	1
4186	3	CB	32.3	1
4421	104	CB	28.600	1
4431	25	CB	32.0	1
4664	66	CB	33.11	1
4834	164	CB	33.5	1
4836	16	CB	33.54	1
4952	52	CB	33.29	1
5500	29	CB	28.682	1
5547	222	CB	33.3	1
5745	39	CB	21.4	1
5866	19	CB	31.8	1
5895	89	CB	29.05
6073	64	CB	32.73
6080	160	CB	25.523	1
6242	1	CB	27.9	1
6322	3	CB	30.302	1
6322	50	CB	30.553	1
6348	41	CB	30.8
6444	81	CB	31.147
6502	84	CB	32.717	1
6585	32	CB	30.236	1
6586	110	CB	30.965	1
6586	117	CB	31.974	1
6586	20	CB	31.107	1
6586	76	CB	31.532	1
6586	9	CB	32.274	1
6586	92	CB	31.320	1
6586	95	CB	31.674	1
6586	96	CB	30.753	1
6605	114	CB	28.96
6797	89	CB	32.774	1
6812	40	CB	33.68	1
6832	169	CB	33.59	1
6903	14	CB	31.0800	1
6904	14	CB	31.670	1
6935	169	CB	33.60	1
6942	85	CB	33.29	1
7025	21	CB	33.709	1
7188	41	CB	32.886	1
7308	38	CB	30.7	1
11453	47	CB	22.476	1
11453	5	CB	30.387	1
12040	210	CB	33.713	1
15071	42	CB	25.52	1
15248	50	CB	31.442	1
15345	9	CB	29.976	9
15785	92	CB	31.85
15820	92	CB	28.896
15885	96	CB	30.192	1
16057	37	CB	33.760	1
16059	65	CB	33.31	1
16164	31	CB	33.375	1
16246	41	CB	30.75	1
16299	75	CB	30.8	1
16337	122	CB	28.1	1
16537	204	CB	32.24	1
16712	16	CB	33.720	1
16713	16	CB	33.558	1
16729	117	CB	32.376	1
16729	294	CB	28.318	1
16884	32	CB	33.0	1
16884	35	CB	33.0	1
16884	44	CB	33.6	1
17415	380	CB	30.8	1
17456	27	CB	33.071	1
17626	16	CB	32.41	1
17660	137	CB	31.967	1
17660	141	CB	33.761	1
17660	65	CB	32.117	1
17693	22	CB	30.567	1
17759	57	CB	28.093	1
17762	46	CB	26.692	1
17923	39	CB	33.167	1
18101	89	CB	30.540	1
18257	118	CB	32.558	1
18257	118	CB	32.743	1
18388	13	CB	31.854	1
18389	13	CB	32.175	1
18392	95	CB	31.19	1
18414	137	CB	29.997	1
18488	81	CB	32.261	1
18543	174	CB	27.900	1
18704	63	CB	32.63	1
18793	106	CB	26.801	1
18793	68	CB	29.453	1
18871	31	CB	31.42
19063	17	CB	30.66
19063	20	CB	30.521
19063	37	CB	29.899
19063	40	CB	28.655
19063	65	CB	32.526
19223	201	CB	30.065	1
19224	201	CB	30.523	1
19239	197	CB	29.976	1
19321	45	CB	26.348	1
19393	20	CB	32.908	1
19521	100	CB	32.908	1
19586	65	CB	33.126	1
19625	102	CB	33.77	1
19803	145	CB	31.955	1
19825	67	CB	33.752	1
19857	68	CB	32.320	1
25040	145	CB	33.215	1
25040	72	CB	33.710	1
25043	144	CB	33.174	1
25043	71	CB	33.661	1
25281	54	CB	29.22
25286	111	CB	33.029
25289	20	CB	32.923	1
25289	20	CB	32.976	1
25379	173	CB	33.215	1
25379	179	CB	33.091	1
25379	187	CB	33.628	1
25379	84	CB	32.974	1
25602	86	CB	33.736
25656	69	CB	33.698
25701	198	CB	33.26	1
25752	198	CB	33.08	1
25760	28	CB	32.661
25761	103	CB	33.351
25792	129	CB	33.687
25832	2	CB	30.902	1
25852	65	CB	33.497	1
25901	32	CB	30.083	1
26593	77	CB	2.161	1
26647	16	CB	33.16	1
26648	152	CB	30.65	1
26687	65	CB	32.902	1
26751	49	CB	32.5355	1
26751	88	CB	32.7152	1
26752	103	CB	31.099	1
26836	196	CB	33.426	1
27059	163	CB	32.200
27059	178	CB	31.500
27079	85	CB	33.252	1
27191	11	CB	33.4622	1
27192	75	CB	32.862	1
27250	23	CB	33.440	1
27251	23	CB	32.810	1
27352	13	CB	33.102	1
27503	88	CB	33.122	1
27591	61	CB	33.239	1
27592	61	CB	33.346	1
27667	107	CB	33.780
27706	86	CB	32.030	1
27859	226	CB	30.2
27893	130	CB	33.08	1
28109	59	CB	33.172	1
30150	100	CB	31.056	1
30196	65	CB	32.902	1
30375	162	CB	33.692
30375	85	CB	33.632
30518	30	CB	33.680	1
34308	225	CB	31.823	1
34347	146	CB	32.866
34347	225	CB	33.439
34708	103	CB	31.684	1
50022	149	CB	30.315
50022	87	CB	30.010
50091	89	CB	29.989	1
50518	121	CB	33.152	1
50802	83	CB	32.846
51050	213	CB	32.495
51050	240	CB	32.925
51065	48	CB	32.685
51086	7	CB	31.484	1
51179	185	CB	32.2622899112663
51184	32	CB	32.281	1
51437	207	CB	32.246	1
51455	134	CB	33.748	1
51456	134	CB	33.700	1
51515	219	CB	27.16
51659	133	CB	31.70	1
51659	73	CB	31.33	1
51676	238	CB	32.627	1
52071	66	CB	33.226	1
52077	42	CB	29.395	1
52099	31	CB	31.26	1
52138	204	CB	32.027	1