BMRB - Biological Magnetic Resonance Bank

ILE CB Chemical Shift Outliers

Average chemical shift: 38.541
Standard deviation: 1.979

Low-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
4089	58	CB	44.6	1
4150	104	CB	80.980
4150	15	CB	81.714
4150	23	CB	81.806
4150	33	CB	80.667
4150	37	CB	78.897
4150	38	CB	78.667
4150	43	CB	78.961
4150	56	CB	77.344
4150	83	CB	83.177
4232	19	CB	48.90	1
4232	37	CB	53.00	1
4232	61	CB	49.73	1
4232	62	CB	48.96	1
4232	73	CB	53.20	1
4318	5	CB	44.58	1
4426	29	CB	44.563	1
4697	55	CB	45.437
4938	65	CB	44.9	1
5027	18	CB	45.45	1
5067	66	CB	44.71	1
5179	25	CB	87.680
5179	43	CB	84.880
5219	210	CB	45.7	1
5402	36	CB	45	1
5404	60	CB	45.309	1
5532	72	CB	44.847	1
5618	134	CB	44.66	1
5756	110	CB	44.8	1
5861	59	CB	45.58	1
6043	89	CB	45.157	1
6141	117	CB	51.876
6142	60	CB	45.4	1
6182	110	CB	45.2	1
6232	80	CB	45.011	1
6253	39	CB	45.138	1
6542	86	CB	46.970	1
6628	217	CB	45.23	1
6910	102	CB	45.4	1
7112	45	CB	45.012	1
7121	41	CB	45.4	1
7188	44	CB	69.565	1
7219	75	CB	44.937	1
7220	111	CB	45.430	1
7395	64	CB	44.901
10006	32	CB	44.840	1
11078	106	CB	44.567	1
11178	58	CB	44.684	1
11225	56	CB	44.511	1
11333	106	CB	44.530	1
11404	57	CB	45.013	1
15584	43	CB	55.387	1
15603	104	CB	44.583	1
15702	33	CB	44.5	1
15734	104	CB	44.700	1
15759	23	CB	44.64	1
15981	79	CB	45.181	1
16134	51	CB	45.745	1
16135	105	CB	44.74	1
16195	97	CB	44.849	1
16206	45	CB	44.49
16265	149	CB	45.21	1
16336	131	CB	44.6	1
16365	41	CB	45.6	1
16463	54	CB	44.610	1
16607	50	CB	44.734	1
16729	208	CB	69.840	1
17232	55	CB	45.592	1
17576	40	CB	45.450	1
17582	40	CB	45.573	1
17640	81	CB	66.1230	1
18303	90	CB	45.698	1
18953	36	CB	45.7700	1
19108	96	CB	45.073
19206	114	CB	44.599	1
19443	38	CB	44.510
19834	171	CB	45.525
19834	189	CB	45.492
19834	92	CB	48.652
25108	25	CB	69.64	1
25132	106	CB	45.431	1
25166	52	CB	44.694	1
25382	10	CB	68.558
25382	12	CB	68.105
25382	37	CB	65.935
25382	43	CB	69.214
25382	50	CB	67.671
25382	79	CB	68.710
25382	81	CB	66.894
25382	83	CB	65.926
25442	12	CB	339.785
25442	38	CB	338.695
25463	39	CB	44.793	1
25564	26	CB	45.088	1
25677	9	CB	45.010	1
25913	22	CB	44.667	1
25914	22	CB	44.635	1
25985	94	CB	45.256	1
25993	35	CB	45.509	1
26557	88	CB	46.2
26692	31	CB	44.664
26717	167	CB	46.1	1
26753	106	CB	45.486	1
26772	25	CB	63.537	1
26860	38	CB	45.64654353
26861	38	CB	45.73993613
26871	101	CB	44.7565	1
26940	103	CB	44.788	1
26962	129	CB	44.584
27062	69	CB	45.309	1
27158	114	CB	45.4	1
27170	40	CB	46.027	1
27241	104	CB	44.768	1
27298	104	CB	44.875	1
27381	92	CB	44.588	1
27529	123	CB	44.944	1
27733	25	CB	45.5000	1
27737	25	CB	44.9940	1
27969	137	CB	45.490	1
30100	67	CB	45.036
30139	146	CB	45.51	1
30285	72	CB	44.632	1
30901	43	CB	45.291	1
30969	28	CB	44.53
34121	176	CB	44.621	1
34121	66	CB	44.647	1
34246	66	CB	45.183	1
34255	66	CB	45.149
50173	49	CB	44.937	1
50241	145	CB	44.688	1
50452	58	CB	44.726	1
50765	74	CB	44.789	1
50969	25	CB	45.132	1
50993	25	CB	45.132	1
51379	110	CB	44.490	1
51471	80	CB	44.651	1
51489	42	CB	44.54
51490	26	CB	51.78526161	1
52158	130	CB	44.581	1
52158	130	CB	44.633	1

High-field shifts outside of three standard deviations from the average
Entry ID	Comp. index ID	Atom ID	Chemical Shift Value	Ambiguity code
1580	59	CB	32.2	1
4127	80	CB	32.3	1
4136	5	CB	26.8	1
4144	44	CB	31.9	1
4152	90	CB	32.6	1
4239	68	CB	20.939
4313	132	CB	29.2	1
4431	12	CB	30.8	1
4475	20	CB	29.7	1
4574	19	CB	32.4	1
4678	56	CB	28.27
4732	23	CB	31.8	1
4768	124	CB	27.4
4819	52	CB	32.55	1
4829	51	CB	32.161	1
4831	58	CB	32.6
4953	61	CB	31.522	1
5000	59	CB	30.23	1
5022	84	CB	32.361
5040	77	CB	32.6	1
5267	104	CB	29.68	1
5368	73	CB	32.2	1
5455	136	CB	32.2	1
5474	261	CB	32.41	1
5514	167	CB	28.90	1
5547	174	CB	31.5	1
5552	125	CB	32.22	1
5552	63	CB	30.23	1
5678	16	CB	31.09	1
5752	130	CB	30.853	1
5752	163	CB	31.269	1
5772	21	CB	32.195	1
5797	92	CB	31.80	1
5816	87	CB	31.4	1
5928	16	CB	32.3	1
5935	92	CB	29.228	1
5955	33	CB	30.5	1
5959	99	CB	32.6	1
6021	195	CB	31.6	1
6129	25	CB	31.66
6130	25	CB	32.02
6331	85	CB	32.533	1
6346	37	CB	32.010	1
6348	16	CB	30.2
6348	16	CB	31.1
6433	79	CB	31.02	1
6484	83	CB	30.59	1
6531	80	CB	30.080
6532	80	CB	31.770
6546	158	CB	30.6	1
6586	129	CB	30.895	1
6586	17	CB	30.753	1
6586	50	CB	29.620	1
6586	53	CB	30.470	1
6586	72	CB	26.362	9
6586	77	CB	22.113	1
6586	99	CB	28.557	1
6700	158	CB	27.80
6748	91	CB	30.5
6787	33	CB	31.98	1
6850	27	CB	32.409	1
6883	173	CB	28.400	1
7089	159	CB	31.900	1
7184	49	CB	30.87	1
7218	27	CB	32.480
7282	10	CB	30.165	1
7308	105	CB	30.6	1
7308	128	CB	28.3	1
7308	96	CB	32.5	1
7325	48	CB	30.942
7359	40	CB	32.515	1
7360	40	CB	32.553	1
7406	148	CB	27.2	1
7406	74	CB	30.2	1
7414	149	CB	32.277	1
11011	24	CB	29.733	1
11453	49	CB	31.270	1
11492	60	CB	27.328	1
11492	61	CB	28.378	1
11492	93	CB	31.531	1
11596	70	CB	30.62	1
12009	235	CB	30.181	1
15010	17	CB	32.58	1
15120	155	CB	28.9
15164	404	CB	32.062	1
15385	36	CB	32.010	1
15388	36	CB	30.149	1
15393	32	CB	32.5770
15461	148	CB	27.2	1
15461	74	CB	30.2	1
15578	321	CB	32.594	1
15680	188	CB	31.540	1
15680	225	CB	31.446	1
15680	272	CB	31.733	1
15912	90	CB	31.92	1
16031	48	CB	32.462	1
16045	29	CB	32.543	1
16114	32	CB	31.561	1
16115	129	CB	31.001	1
16123	18	CB	18.1	1
16204	31	CB	31.930	1
16205	31	CB	31.760	1
16337	14	CB	30.2	4
16396	16	CB	32.114	1
16402	45	CB	31.530	1
16701	157	CB	30.902	1
16729	129	CB	29.557	1
16729	134	CB	30.620	1
16729	170	CB	30.965	1
16729	55	CB	29.045	1
16787	13	CB	29.448	1
16796	16	CB	32.114	1
16809	88	CB	31.92	1
16864	15	CB	31.928
16884	28	CB	32.2	1
16884	39	CB	32.3	1
16984	165	CB	32.276	1
17010	82	CB	29.54	1
17148	49	CB	32.265	1
17173	47	CB	32.075	1
17261	82	CB	32.4	1
17262	82	CB	32.2	1
17367	32	CB	24.748	1
17529	16	CB	31.975	1
17574	57	CB	31.682	1
17633	31	CB	30.610	1
17660	112	CB	31.743	1
17702	16	CB	32.114	1
17781	13	CB	32.293	1
17782	11	CB	31.918	1
18111	61	CB	32.420	1
18112	58	CB	30.657	1
18205	55	CB	32.341
18344	53	CB	27.487	1
18373	248	CB	32.179	1
18488	31	CB	32.160	1
18588	264	CB	32.5	1
18603	234	CB	31.919	1
18609	164	CB	32.489	1
18612	159	CB	30.0000	1
18613	111	CB	26.230	1
18613	119	CB	32.547	1
18969	18	CB	29.901	1
19063	28	CB	24.854
19063	33	CB	26.72
19063	43	CB	30.521
19063	75	CB	27.826
19063	88	CB	29.623
19126	136	CB	32.444	1
19209	190	CB	32.18	1
19223	266	CB	32.074	1
19321	54	CB	26.107	1
19395	34	CB	31.646
19443	71	CB	25.880
19458	116	CB	31.0460
19458	81	CB	29.9300
19560	92	CB	32.26	1
19736	106	CB	31.817	1
19844	105	CB	29.69
19851	39	CB	31.159	1
19851	73	CB	32.494	1
19954	47	CB	32.038
19996	99	CB	32.474	1
25021	99	CB	32.474	1
25157	107	CB	30.304	1
25157	129	CB	32.04	1
25157	72	CB	31.948	1
25247	283	CB	32.33	1
25266	126	CB	32.4000	1
25267	29	CB	32.38	1
25342	95	CB	31.783	1
25567	95	CB	31.929
25573	13	CB	28.9027	1
25573	39	CB	31.4925	1
25712	203	CB	32.556	1
25727	146	CB	32.358
25859	159	CB	31.900	1
25972	23	CB	32.098
25973	23	CB	31.692
25983	105	CB	29.922
26600	133	CB	28.828	1
26601	135	CB	28.733	1
26624	32	CB	32.4373	1
26751	46	CB	31.3839	1
26766	115	CB	32.4000	1
26801	194	CB	-34.477	1
26814	266	CB	31.893	1
26884	76	CB	31.812	1
26908	30	CB	32.53	1
26932	49	CB	29.49	1
26942	11	CB	30.314	1
27051	111	CB	30.355	1
27059	235	CB	30.100
27059	259	CB	31.900
27059	86	CB	31.000
27080	117	CB	30.401	1
27121	226	CB	28.268
27121	273	CB	30.855
27122	273	CB	30.855
27184	14	CB	32.295	1
27233	25	CB	32.1319	1
27271	32	CB	31.662	1
27279	135	CB	28.733	1
27457	29	CB	32.340	1
27466	83	CB	32.546	1
27527	30	CB	31.541
27529	26	CB	29.727	1
27622	71	CB	32.37
27643	39	CB	29.937
27691	51	CB	32.188	1
27705	136	CB	32.002	1
28109	156	CB	31.962	1
30150	185	CB	31.561	1
30469	92	CB	29.275
30537	66	CB	32.3	1
30863	14	CB	32.304	1
30888	136	CB	32.002	1
31030	10	CB	32.130	1
34260	47	CB	31.992
34308	33	CB	32.044	1
34308	91	CB	32.569	1
34329	107	CB	32.412	1
34329	42	CB	32.260	1
34347	255	CB	31.964
34347	91	CB	31.171
34638	150	CB	30.760
34667	16	CB	31.211
36136	39	CB	28.968
36343	14	CB	31.7	1
50022	167	CB	28.848
50022	63	CB	32.157
50022	71	CB	30.514
50022	79	CB	32.037
50022	98	CB	29.132
50258	53	CB	32.344	1
50331	22	CB	29.029	1
50689	116	CB	32.349
50691	134	CB	32.234
50809	81	CB	30.124	1
50900	23	CB	18.854
50917	172	CB	30.3	1
50936	46	CB	31.8910	1
50941	150	CB	30.070	1
50941	98	CB	30.373	1
51065	80	CB	31.584
51066	73	CB	32.251
51268	94	CB	30.081	1
51411	208	CB	31.58	1
51437	52	CB	30.171	1
51515	200	CB	31.99
51607	139	CB	30.5813818
51659	129	CB	31.08	1
51784	135	CB	32.008	1
51912	117	CB	32.3	1
51913	117	CB	32.2	1
51994	136	CB	32.453	1
52077	54	CB	32.080	1
52087	63	CB	32.409	1
52147	34	CB	32.601