data_2999 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific Assignments of the 1H Nuclear Magnetic Resonance Spectra of Reduced High-Potential Ferredoxin (HiPIP) from Chromatium vinosum ; _BMRB_accession_number 2999 _BMRB_flat_file_name bmr2999.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gaillard Jacques . . 2 Albrand J. P. . 3 Moulis Jean-Marc . . 4 Wemmer David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 350 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 revision BMRB 'Compelte natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Gaillard, Jacques, Albrand, J.P., Moulis, Jean-Marc, Wemmer, David, "Sequence-Specific Assignments of the 1H Nuclear Magnetic Resonance Spectra of Reduced High-Potential Ferredoxin (HiPIP) from Chromatium vinosum," Biochemistry 31 (24), 5632-5639 (1992). ; _Citation_title ; Sequence-Specific Assignments of the 1H Nuclear Magnetic Resonance Spectra of Reduced High-Potential Ferredoxin (HiPIP) from Chromatium vinosum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gaillard Jacques . . 2 Albrand J. P. . 3 Moulis Jean-Marc . . 4 Wemmer David . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5632 _Page_last 5639 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_HiPIP _Saveframe_category molecular_system _Mol_system_name HiPIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HiPIP $HiPIP stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HiPIP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HiPIP _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; SAPANAVAADDATAIALKYN QDATKSERVAAARPGLPPEE QHCANCQFMQADAAGATDEW KGCQLFPGKLINVNGWCASW TLKAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ALA 3 3 PRO 4 4 ALA 5 5 ASN 6 6 ALA 7 7 VAL 8 8 ALA 9 9 ALA 10 10 ASP 11 11 ASP 12 12 ALA 13 13 THR 14 14 ALA 15 15 ILE 16 16 ALA 17 17 LEU 18 18 LYS 19 19 TYR 20 20 ASN 21 21 GLN 22 22 ASP 23 23 ALA 24 24 THR 25 25 LYS 26 26 SER 27 27 GLU 28 28 ARG 29 29 VAL 30 30 ALA 31 31 ALA 32 32 ALA 33 33 ARG 34 34 PRO 35 35 GLY 36 36 LEU 37 37 PRO 38 38 PRO 39 39 GLU 40 40 GLU 41 41 GLN 42 42 HIS 43 43 CYS 44 44 ALA 45 45 ASN 46 46 CYS 47 47 GLN 48 48 PHE 49 49 MET 50 50 GLN 51 51 ALA 52 52 ASP 53 53 ALA 54 54 ALA 55 55 GLY 56 56 ALA 57 57 THR 58 58 ASP 59 59 GLU 60 60 TRP 61 61 LYS 62 62 GLY 63 63 CYS 64 64 GLN 65 65 LEU 66 66 PHE 67 67 PRO 68 68 GLY 69 69 LYS 70 70 LEU 71 71 ILE 72 72 ASN 73 73 VAL 74 74 ASN 75 75 GLY 76 76 TRP 77 77 CYS 78 78 ALA 79 79 SER 80 80 TRP 81 81 THR 82 82 LEU 83 83 LYS 84 84 ALA 85 85 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 2219 HiPIP 100.00 85 97.65 100.00 1.51e-52 BMRB 2220 HiPIP 100.00 85 97.65 100.00 1.51e-52 BMRB 2221 HiPIP 100.00 85 97.65 100.00 1.51e-52 BMRB 2222 HiPIP 100.00 85 97.65 100.00 1.51e-52 BMRB 3000 HiPIP 100.00 85 100.00 100.00 6.36e-54 PDB 1B0Y "Mutant H42q Of Hipip From Chromatium Vinosum At 0.93a" 100.00 85 97.65 98.82 4.26e-52 PDB 1CKU "Ab Initio Solution And Refinement Of Two High Potential Iron Protein Structures At Atomic Resolution" 100.00 85 100.00 100.00 6.36e-54 PDB 1HIP "Two-Angstrom Crystal Structure Of Oxidized Chromatium High Potential Iron Protein" 100.00 85 97.65 100.00 1.51e-52 PDB 1HRQ "The Three-Dimensional Solution Structure Of The Reduced High-Potential Iron-Sulfur Protein From Chromatium Vinosum Through Nmr" 100.00 85 100.00 100.00 6.36e-54 PDB 1HRR "The Three Dimensional Structure Of The Reduced High Potential Iron-Sulfur Protein From Chromatium Vinosum Through Nmr" 100.00 85 100.00 100.00 6.36e-54 PDB 1JS2 "Crystal Structure Of C77s Hipip: A Serine Ligated [4fe-4s] Cluster" 100.00 89 98.82 98.82 5.97e-53 PDB 1NEH "High Potential Iron-Sulfur Protein" 100.00 85 100.00 100.00 6.36e-54 PDB 1NOE "Nmr Study Of Reduced High Potential Iron Sulfur Protein" 100.00 86 98.82 98.82 7.04e-53 GB AAB35045 "HiPIP=high potential iron-sulfur protein [Chromatium vinosum, Peptide, 85 aa]" 100.00 85 100.00 100.00 6.36e-54 GB AAB48829 "high potential iron-sulfur protein precursor [Allochromatium vinosum DSM 180]" 100.00 122 100.00 100.00 2.04e-54 GB AAD14000 "high-potential iron protein [Allochromatium vinosum]" 100.00 86 97.65 100.00 1.44e-52 GB ADC63191 "High potential iron-sulfur protein [Allochromatium vinosum DSM 180]" 100.00 122 100.00 100.00 2.04e-54 PIR IHKREV "high potential iron-sulfur protein [validated] - Chromatium vinosum [Allochromatium vinosum]" 100.00 85 100.00 100.00 6.36e-54 REF WP_012971463 "high-potential iron-sulfur protein [Allochromatium vinosum]" 100.00 122 100.00 100.00 2.04e-54 SP B3EBZ3 "RecName: Full=High-potential iron-sulfur protein; Short=HiPIP [Allochromatium warmingii]" 100.00 85 97.65 100.00 2.54e-53 SP P00260 "RecName: Full=High-potential iron-sulfur protein; Short=HiPIP; Flags: Precursor" 100.00 122 100.00 100.00 2.04e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $HiPIP . 1049 Bacteria . Chromatium vinosum 'DSM 180' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HiPIP 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . na temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O/HDO H . . ppm 4.7 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name HiPIP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 PRO HA H 4.22 . 1 2 . 3 PRO HB2 H 2.19 . 2 3 . 3 PRO HB3 H 1.57 . 2 4 . 4 ALA H H 8.7 . 1 5 . 4 ALA HA H 3.97 . 1 6 . 4 ALA HB H 1.38 . 1 7 . 5 ASN H H 8.24 . 1 8 . 5 ASN HA H 4.73 . 1 9 . 5 ASN HB2 H 3.11 . 2 10 . 5 ASN HB3 H 2.67 . 2 11 . 5 ASN HD21 H 7.24 . 2 12 . 5 ASN HD22 H 6.5 . 2 13 . 6 ALA H H 6.97 . 1 14 . 6 ALA HA H 4.56 . 1 15 . 6 ALA HB H .82 . 1 16 . 7 VAL H H 8.43 . 1 17 . 7 VAL HA H 3.45 . 1 18 . 7 VAL HB H 1.2 . 1 19 . 7 VAL HG1 H .24 . 2 20 . 7 VAL HG2 H .04 . 2 21 . 8 ALA H H 8.68 . 1 22 . 8 ALA HA H 4.55 . 1 23 . 8 ALA HB H 1.56 . 1 24 . 9 ALA H H 8.43 . 1 25 . 9 ALA HA H 4.13 . 1 26 . 9 ALA HB H 1.46 . 1 27 . 10 ASP H H 8.01 . 1 28 . 10 ASP HA H 4.61 . 1 29 . 10 ASP HB2 H 2.94 . 2 30 . 10 ASP HB3 H 2.56 . 2 31 . 11 ASP H H 7.49 . 1 32 . 11 ASP HA H 4.53 . 1 33 . 11 ASP HB2 H 3.01 . 2 34 . 11 ASP HB3 H 2.88 . 2 35 . 12 ALA H H 8.93 . 1 36 . 12 ALA HA H 4.07 . 1 37 . 12 ALA HB H 1.56 . 1 38 . 13 THR H H 8.76 . 1 39 . 13 THR HA H 4.11 . 1 40 . 13 THR HB H 4.41 . 1 41 . 13 THR HG2 H 1.13 . 1 42 . 14 ALA H H 8.07 . 1 43 . 14 ALA HA H 4.36 . 1 44 . 14 ALA HB H 1.78 . 1 45 . 15 ILE H H 8.47 . 1 46 . 15 ILE HA H 3.91 . 1 47 . 15 ILE HB H 1.88 . 1 48 . 15 ILE HG12 H 1.21 . 1 49 . 15 ILE HG13 H 1.21 . 1 50 . 15 ILE HG2 H .99 . 1 51 . 15 ILE HD1 H .9 . 1 52 . 16 ALA H H 7.86 . 1 53 . 16 ALA HA H 4.18 . 1 54 . 16 ALA HB H 1.61 . 1 55 . 17 LEU H H 8.19 . 1 56 . 17 LEU HA H 4.41 . 1 57 . 17 LEU HB2 H 2.34 . 2 58 . 17 LEU HB3 H 2.08 . 2 59 . 17 LEU HG H 2.05 . 1 60 . 18 LYS H H 7.91 . 1 61 . 18 LYS HA H 4.02 . 1 62 . 18 LYS HB2 H 2.33 . 2 63 . 18 LYS HB3 H 2.08 . 2 64 . 18 LYS HG2 H 1.42 . 1 65 . 18 LYS HG3 H 1.42 . 1 66 . 18 LYS HD2 H 1.8 . 1 67 . 18 LYS HD3 H 1.8 . 1 68 . 18 LYS HE2 H 3.03 . 1 69 . 18 LYS HE3 H 3.03 . 1 70 . 19 TYR H H 8.4 . 1 71 . 19 TYR HA H 5.1 . 1 72 . 19 TYR HB2 H 3.01 . 2 73 . 19 TYR HB3 H 2.6 . 2 74 . 20 ASN H H 8.51 . 1 75 . 20 ASN HA H 4.13 . 1 76 . 20 ASN HB2 H 2.26 . 1 77 . 20 ASN HB3 H 2.26 . 1 78 . 20 ASN HD21 H 7.62 . 2 79 . 20 ASN HD22 H 6.56 . 2 80 . 21 GLN H H 8.2 . 1 81 . 21 GLN HA H 3.99 . 1 82 . 21 GLN HB2 H 2.45 . 2 83 . 21 GLN HB3 H 2.03 . 2 84 . 21 GLN HG2 H 2.45 . 2 85 . 21 GLN HG3 H 2.18 . 2 86 . 21 GLN HE21 H 7.78 . 2 87 . 21 GLN HE22 H 7.06 . 2 88 . 22 ASP H H 8.65 . 1 89 . 22 ASP HA H 4.61 . 1 90 . 22 ASP HB2 H 2.73 . 2 91 . 22 ASP HB3 H 2.36 . 2 92 . 23 ALA H H 9.74 . 1 93 . 23 ALA HA H 3.87 . 1 94 . 23 ALA HB H 1.65 . 1 95 . 24 THR H H 8.41 . 1 96 . 24 THR HA H 4.08 . 1 97 . 24 THR HB H 4.23 . 1 98 . 24 THR HG2 H 1.27 . 1 99 . 25 LYS H H 7.57 . 1 100 . 25 LYS HA H 4.46 . 1 101 . 25 LYS HB2 H 2.08 . 2 102 . 25 LYS HB3 H 1.64 . 2 103 . 25 LYS HG2 H 1.35 . 1 104 . 25 LYS HG3 H 1.35 . 1 105 . 25 LYS HD2 H 1.21 . 1 106 . 25 LYS HD3 H 1.21 . 1 107 . 25 LYS HE2 H 2.94 . 1 108 . 25 LYS HE3 H 2.94 . 1 109 . 26 SER H H 7.17 . 1 110 . 26 SER HA H 4.57 . 1 111 . 26 SER HB2 H 5.7 . 2 112 . 26 SER HB3 H 3.76 . 2 113 . 27 GLU H H 8.87 . 1 114 . 27 GLU HA H 4.41 . 1 115 . 27 GLU HB2 H 1.87 . 1 116 . 27 GLU HB3 H 1.87 . 1 117 . 27 GLU HG2 H 2.54 . 2 118 . 27 GLU HG3 H 2.37 . 2 119 . 28 ARG H H 6.64 . 1 120 . 28 ARG HA H 3.01 . 1 121 . 28 ARG HB2 H 3.01 . 2 122 . 28 ARG HB3 H 2.04 . 2 123 . 28 ARG HG2 H .84 . 2 124 . 28 ARG HG3 H .55 . 2 125 . 28 ARG HD2 H .55 . 2 126 . 28 ARG HD3 H .73 . 2 127 . 29 VAL H H 8.17 . 1 128 . 29 VAL HA H 3.38 . 1 129 . 29 VAL HB H 1.85 . 1 130 . 29 VAL HG1 H .82 . 1 131 . 29 VAL HG2 H .82 . 1 132 . 30 ALA H H 7.42 . 1 133 . 30 ALA HA H 4.06 . 1 134 . 30 ALA HB H 1.41 . 1 135 . 31 ALA H H 8.13 . 1 136 . 31 ALA HA H 4.13 . 1 137 . 31 ALA HB H 1.75 . 1 138 . 32 ALA H H 7.45 . 1 139 . 32 ALA HA H 3.79 . 1 140 . 32 ALA HB H 1.34 . 1 141 . 33 ARG H H 10.5 . 1 142 . 33 ARG HA H 4.5 . 1 143 . 33 ARG HB2 H 2.47 . 2 144 . 33 ARG HB3 H 2.25 . 2 145 . 33 ARG HG2 H 2.09 . 1 146 . 33 ARG HG3 H 2.09 . 1 147 . 34 PRO HA H 4.64 . 1 148 . 34 PRO HB2 H 2.07 . 1 149 . 34 PRO HB3 H 2.07 . 1 150 . 34 PRO HD2 H 3.97 . 2 151 . 34 PRO HD3 H 3.85 . 2 152 . 35 GLY H H 8.55 . 1 153 . 35 GLY HA2 H 3.61 . 2 154 . 35 GLY HA3 H 4.74 . 2 155 . 36 LEU H H 7.28 . 1 156 . 36 LEU HA H 4.83 . 1 157 . 36 LEU HB2 H 1.5 . 1 158 . 36 LEU HB3 H 1.5 . 1 159 . 36 LEU HG H 1.12 . 1 160 . 37 PRO HA H 4.63 . 1 161 . 37 PRO HB2 H 2.45 . 2 162 . 37 PRO HB3 H 1.36 . 2 163 . 37 PRO HG2 H 1.98 . 1 164 . 37 PRO HG3 H 1.98 . 1 165 . 37 PRO HD2 H 3.84 . 2 166 . 37 PRO HD3 H 3.5 . 2 167 . 38 PRO HA H 4.58 . 1 168 . 38 PRO HD2 H 3.92 . 2 169 . 38 PRO HD3 H 3.77 . 2 170 . 39 GLU H H 8.94 . 1 171 . 39 GLU HA H 3.63 . 1 172 . 39 GLU HB2 H 1.96 . 2 173 . 39 GLU HB3 H 1.86 . 2 174 . 39 GLU HG2 H 2.15 . 2 175 . 39 GLU HG3 H 2.05 . 2 176 . 40 GLU H H 7.77 . 1 177 . 40 GLU HA H 4.15 . 1 178 . 40 GLU HB2 H 1.94 . 2 179 . 40 GLU HB3 H 1.74 . 2 180 . 40 GLU HG2 H 2.34 . 2 181 . 40 GLU HG3 H 2.12 . 2 182 . 41 GLN H H 7.33 . 1 183 . 41 GLN HA H 3.77 . 1 184 . 41 GLN HB2 H 1.7 . 2 185 . 41 GLN HB3 H .22 . 2 186 . 41 GLN HG2 H 1.86 . 2 187 . 41 GLN HG3 H .05 . 2 188 . 41 GLN HE21 H 6.7 . 2 189 . 41 GLN HE22 H 6.5 . 2 190 . 42 HIS H H 9 . 1 191 . 42 HIS HA H 6.23 . 1 192 . 42 HIS HB2 H 3.96 . 2 193 . 42 HIS HB3 H 3.88 . 2 194 . 43 CYS H H 9.22 . 1 195 . 43 CYS HA H 4.82 . 1 196 . 44 ALA H H 7.73 . 1 197 . 44 ALA HA H 3.69 . 1 198 . 44 ALA HB H 1.3 . 1 199 . 45 ASN H H 8.13 . 1 200 . 45 ASN HA H 5.06 . 1 201 . 45 ASN HB2 H 3.72 . 2 202 . 45 ASN HB3 H 2.83 . 2 203 . 45 ASN HD21 H 7.66 . 2 204 . 45 ASN HD22 H 7.24 . 2 205 . 46 CYS H H 8.14 . 1 206 . 46 CYS HA H 4.25 . 1 207 . 47 GLN H H 8.79 . 1 208 . 47 GLN HA H 4.05 . 1 209 . 47 GLN HB2 H .69 . 1 210 . 47 GLN HB3 H .69 . 1 211 . 47 GLN HG2 H 1.7 . 2 212 . 47 GLN HG3 H 1.61 . 2 213 . 48 PHE H H 7.82 . 1 214 . 48 PHE HA H 3.6 . 1 215 . 48 PHE HB2 H 3.5 . 2 216 . 48 PHE HB3 H 2.27 . 2 217 . 50 GLN H H 8.44 . 1 218 . 50 GLN HA H 4.64 . 1 219 . 50 GLN HB2 H 1.85 . 2 220 . 50 GLN HB3 H 1.61 . 2 221 . 50 GLN HG2 H 2.3 . 2 222 . 50 GLN HG3 H 2.22 . 2 223 . 51 ALA H H 8.95 . 1 224 . 51 ALA HA H 4.09 . 1 225 . 51 ALA HB H 1.44 . 1 226 . 52 ASP H H 8.34 . 1 227 . 52 ASP HA H 4.74 . 1 228 . 52 ASP HB2 H 2.73 . 2 229 . 52 ASP HB3 H 2.58 . 2 230 . 53 ALA H H 6.59 . 1 231 . 53 ALA HA H 4.17 . 1 232 . 53 ALA HB H 1.28 . 1 233 . 54 ALA H H 8.47 . 1 234 . 54 ALA HA H 4.13 . 1 235 . 54 ALA HB H 1.26 . 1 236 . 55 GLY H H 8.72 . 1 237 . 55 GLY HA2 H 3.63 . 2 238 . 55 GLY HA3 H 4.05 . 2 239 . 56 ALA H H 7.63 . 1 240 . 56 ALA HA H 4.43 . 1 241 . 56 ALA HB H 1.61 . 1 242 . 57 THR H H 9.66 . 1 243 . 57 THR HA H 4.83 . 1 244 . 57 THR HB H 4.93 . 1 245 . 57 THR HG2 H 1.4 . 1 246 . 58 ASP H H 8.63 . 1 247 . 58 ASP HA H 4.41 . 1 248 . 58 ASP HB2 H 2.73 . 2 249 . 58 ASP HB3 H 2.36 . 2 250 . 59 GLU H H 8.03 . 1 251 . 59 GLU HA H 4.34 . 1 252 . 59 GLU HB2 H 1.75 . 2 253 . 59 GLU HB3 H 1.65 . 2 254 . 59 GLU HG2 H 1.98 . 1 255 . 59 GLU HG3 H 1.98 . 1 256 . 60 TRP H H 7.22 . 1 257 . 60 TRP HA H 5.62 . 1 258 . 60 TRP HB2 H 3.14 . 2 259 . 60 TRP HB3 H 2.98 . 2 260 . 61 LYS H H 8.9 . 1 261 . 61 LYS HA H 4.85 . 1 262 . 61 LYS HB2 H 1.66 . 2 263 . 61 LYS HB3 H 1.62 . 2 264 . 61 LYS HG2 H 1.99 . 1 265 . 61 LYS HG3 H 1.99 . 1 266 . 62 GLY H H 7.81 . 1 267 . 62 GLY HA2 H 3.58 . 2 268 . 62 GLY HA3 H 4.49 . 2 269 . 63 CYS H H 9.15 . 1 270 . 63 CYS HA H 3.73 . 1 271 . 66 PHE H H 7.35 . 1 272 . 66 PHE HA H 4.97 . 1 273 . 66 PHE HB2 H 2.72 . 2 274 . 66 PHE HB3 H 2.32 . 2 275 . 67 PRO HA H 4.39 . 1 276 . 67 PRO HB2 H 2.3 . 2 277 . 67 PRO HB3 H 1.95 . 2 278 . 67 PRO HG2 H 2.1 . 1 279 . 67 PRO HG3 H 2.1 . 1 280 . 67 PRO HD2 H 3.59 . 2 281 . 67 PRO HD3 H 3.37 . 2 282 . 68 GLY H H 8.84 . 1 283 . 68 GLY HA2 H 3.79 . 2 284 . 68 GLY HA3 H 4.17 . 2 285 . 69 LYS H H 7.67 . 1 286 . 69 LYS HA H 5.13 . 1 287 . 69 LYS HB2 H 1.88 . 2 288 . 69 LYS HB3 H 1.55 . 2 289 . 69 LYS HG2 H 1.33 . 1 290 . 69 LYS HG3 H 1.33 . 1 291 . 69 LYS HD2 H 1.55 . 1 292 . 69 LYS HD3 H 1.55 . 1 293 . 69 LYS HE2 H 2.98 . 1 294 . 69 LYS HE3 H 2.98 . 1 295 . 70 LEU H H 7.75 . 1 296 . 70 LEU HA H 5.08 . 1 297 . 70 LEU HB2 H 1.62 . 2 298 . 70 LEU HB3 H 1.14 . 2 299 . 70 LEU HG H 1.28 . 1 300 . 70 LEU HD1 H .69 . 2 301 . 70 LEU HD2 H .54 . 2 302 . 71 ILE H H 9.53 . 1 303 . 71 ILE HA H 4.57 . 1 304 . 72 ASN H H 7.44 . 1 305 . 72 ASN HA H 4.55 . 1 306 . 72 ASN HB2 H 2.69 . 2 307 . 72 ASN HB3 H 1.71 . 2 308 . 72 ASN HD21 H 9.46 . 2 309 . 72 ASN HD22 H 6.55 . 2 310 . 73 VAL H H 8.44 . 1 311 . 73 VAL HA H 3.82 . 1 312 . 73 VAL HB H 2.15 . 1 313 . 73 VAL HG1 H 1 . 1 314 . 73 VAL HG2 H 1 . 1 315 . 74 ASN H H 8.98 . 1 316 . 74 ASN HA H 5.18 . 1 317 . 74 ASN HB2 H 3.17 . 2 318 . 74 ASN HB3 H 2.73 . 2 319 . 74 ASN HD21 H 7.82 . 2 320 . 74 ASN HD22 H 7.02 . 2 321 . 75 GLY H H 8.58 . 1 322 . 75 GLY HA2 H 3.9 . 2 323 . 75 GLY HA3 H 4.33 . 2 324 . 76 TRP H H 8.34 . 1 325 . 76 TRP HA H 3.96 . 1 326 . 76 TRP HB2 H 2.98 . 2 327 . 76 TRP HB3 H 1.6 . 2 328 . 77 CYS H H 7.61 . 1 329 . 80 TRP H H 7.6 . 1 330 . 80 TRP HA H 6.6 . 1 331 . 80 TRP HB2 H 3.09 . 1 332 . 80 TRP HB3 H 3.09 . 1 333 . 81 THR H H 6.5 . 1 334 . 81 THR HA H 3.99 . 1 335 . 81 THR HB H 3.11 . 1 336 . 81 THR HG2 H .79 . 1 337 . 82 LEU H H 7.98 . 1 338 . 82 LEU HA H 3.61 . 1 339 . 82 LEU HB2 H 1.64 . 2 340 . 82 LEU HB3 H 1.46 . 2 341 . 83 LYS H H 8.17 . 1 342 . 83 LYS HA H 3.99 . 1 343 . 83 LYS HB2 H 1.6 . 2 344 . 83 LYS HB3 H 1.28 . 2 345 . 84 ALA H H 8.37 . 1 346 . 84 ALA HA H 4.36 . 1 347 . 84 ALA HB H 1.37 . 1 348 . 85 GLY H H 7.9 . 1 349 . 85 GLY HA2 H 3.75 . 1 350 . 85 GLY HA3 H 3.75 . 1 stop_ save_