NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
8120 1lm2 4743 cing 1-original 1 unknown line-broadening


Table S1. Protons of cytochrome c7 which experience line-broadening due to the proximity in space to chromium(III), which is bound to the protein. The corresponding maximum violations for the upper or lower proton-chromium distance constraints derived from the relaxation data (for the 35 calculated chromium-protein structures) are reported in the last column.

atom	   Dn (Hz)	max violation (Angstrom)
5-CH3 IV   106	        <0.01
1-CH3 IV   123	        <0.01
HN 9	   15	        <0.01
Hb 10	   23	        <0.01
HN 11	   14	        <0.01
HN 13	   15	        <0.01
Ha 13	   19	        <0.01
Hb2 29	   15	        <0.01
HN 40	   22	        <0.01
Hb1 40	   22	        <0.01
HN 41	   a	        0.05
Ha 41	   a	        <0.01
Hb1 41	   a	        0.04
HN 42	   a	        <0.01
Ha 42	   a	        <0.01
Hb1 42	   a	        <0.01
HN 46	   a	        <0.01
Ha 46	   a	        <0.01
HN 47	   a	        <0.01
HN 50	   a	        <0.01
HN 51	   7	        <0.01
HN 52	   44	        <0.01
HN 54	   30	        <0.01
HN 55	   34	        <0.01
HN 63	   a	        0.03
HN 66	   a	        0.03
Hb1 66	   a	        0.04
   
a. signal broadened beyond detection. The line-broadening for these signals was estimated as>1000Hz.



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