data_4621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal RING finger domain of human NOT-4 ; _BMRB_accession_number 4621 _BMRB_flat_file_name bmr4621.str _Entry_type original _Submission_date 2000-07-12 _Accession_date 2000-09-07 _Entry_origination author _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 Hanzawa H. . . 2 'de Ruwe' M. J. . 3 Albert T. K. . 4 'van der Vliet' P. C. . 5 Timmers H. T. . 6 Boelens R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 425 "13C chemical shifts" 327 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-02 original author . stop_ _Original_release_date 2001-05-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Structure of the C4C4 RING Finger of Human NOT4 Reveals Features Distinct from Those of C3HC4 RING Fingers ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11087754 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hanzawa H. . . 2 'de Ruwe' M. J. . 3 Albert T. K. . 4 'van der Vliet' P. C. . 5 Timmers H. T. . 6 Boelens R. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 276 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10185 _Page_last 10190 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_NOT4 _Saveframe_category molecular_system _Mol_system_name NOT4 _Abbreviation_common NOT4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NOT4 $NOT4 Zn-1 $ZN Zn-2 $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NOT4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NOT4 _Name_variant none _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'There is a prepeptide of sequence GLVPRGSHMLE' ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GLVPRGSHMLEMSRSPDAKE DPVECPLCMEPLEIDDINFF PCTCGYQICRFCWHRIRTDE NGLCPACRKPYPEDPAVYKP LSQQELQRI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -11 GLY 2 -10 LEU 3 -9 VAL 4 -8 PRO 5 -7 ARG 6 -6 GLY 7 -5 SER 8 -4 HIS 9 -3 MET 10 -2 LEU 11 -1 GLU 12 1 MET 13 2 SER 14 3 ARG 15 4 SER 16 5 PRO 17 6 ASP 18 7 ALA 19 8 LYS 20 9 GLU 21 10 ASP 22 11 PRO 23 12 VAL 24 13 GLU 25 14 CYS 26 15 PRO 27 16 LEU 28 17 CYS 29 18 MET 30 19 GLU 31 20 PRO 32 21 LEU 33 22 GLU 34 23 ILE 35 24 ASP 36 25 ASP 37 26 ILE 38 27 ASN 39 28 PHE 40 29 PHE 41 30 PRO 42 31 CYS 43 32 THR 44 33 CYS 45 34 GLY 46 35 TYR 47 36 GLN 48 37 ILE 49 38 CYS 50 39 ARG 51 40 PHE 52 41 CYS 53 42 TRP 54 43 HIS 55 44 ARG 56 45 ILE 57 46 ARG 58 47 THR 59 48 ASP 60 49 GLU 61 50 ASN 62 51 GLY 63 52 LEU 64 53 CYS 65 54 PRO 66 55 ALA 67 56 CYS 68 57 ARG 69 58 LYS 70 59 PRO 71 60 TYR 72 61 PRO 73 62 GLU 74 63 ASP 75 64 PRO 76 65 ALA 77 66 VAL 78 67 TYR 79 68 LYS 80 69 PRO 81 70 LEU 82 71 SER 83 72 GLN 84 73 GLN 85 74 GLU 86 75 LEU 87 76 GLN 88 77 ARG 89 78 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 PDB 1E4U "N-Terminal Ring Finger Domain Of Human Not-4" 87.64 78 98.72 100.00 7.10e-49 PDB 1UR6 "Nmr Based Structural Model Of The Ubch5b-Cnot4 Complex" 58.43 52 100.00 100.00 6.90e-30 DBJ BAB26155 "unnamed protein product [Mus musculus]" 87.64 84 98.72 100.00 3.71e-49 DBJ BAC25801 "unnamed protein product [Mus musculus]" 87.64 572 98.72 100.00 8.17e-48 DBJ BAC27779 "unnamed protein product [Mus musculus]" 87.64 575 98.72 100.00 2.03e-48 DBJ BAE38508 "unnamed protein product [Mus musculus]" 87.64 572 98.72 100.00 8.17e-48 DBJ BAG11069 "CCR4-NOT transcription complex subunit 4 [synthetic construct]" 87.64 713 98.72 100.00 3.32e-47 EMBL CAB97536 "NOT4, potential transcriptional repressor, alternatively spliced product [Homo sapiens]" 87.64 572 97.44 98.72 1.93e-47 EMBL CAG32164 "hypothetical protein RCJMB04_19d21 [Gallus gallus]" 87.64 762 98.72 100.00 3.53e-47 EMBL CAH90232 "hypothetical protein [Pongo abelii]" 87.64 324 98.72 100.00 1.97e-49 GB AAD00179 "potential transcriptional repressor NOT4Hp [Homo sapiens]" 87.64 642 98.72 100.00 3.67e-47 GB AAD00180 "potential transcriptional repressor NOT4Hp [Homo sapiens]" 87.64 575 98.72 100.00 1.40e-48 GB AAD00181 "potential transcriptional repressor Not4hp [Mus musculus]" 87.64 575 98.72 100.00 2.14e-48 GB AAF29829 "Not4-Np [Homo sapiens]" 87.64 433 98.72 100.00 1.13e-48 GB AAH35590 "CCR4-NOT transcription complex, subunit 4 [Homo sapiens]" 87.64 572 98.72 100.00 6.47e-48 REF NP_001008226 "CCR4-NOT transcription complex subunit 4 isoform b [Homo sapiens]" 87.64 572 98.72 100.00 6.47e-48 REF NP_001012829 "CCR4-NOT transcription complex subunit 4 [Gallus gallus]" 87.64 762 98.72 100.00 3.53e-47 REF NP_001030509 "CCR4-NOT transcription complex subunit 4 [Bos taurus]" 87.64 642 98.72 100.00 5.93e-48 REF NP_001032871 "CCR4-NOT transcription complex subunit 4 [Rattus norvegicus]" 87.64 710 98.72 100.00 5.89e-47 REF NP_001125097 "CCR4-NOT transcription complex subunit 4 [Pongo abelii]" 87.64 324 98.72 100.00 1.97e-49 SP O95628 "RecName: Full=CCR4-NOT transcription complex subunit 4; AltName: Full=CCR4-associated factor 4; AltName: Full=E3 ubiquitin-prot" 87.64 575 98.72 100.00 6.65e-48 SP Q8BT14 "RecName: Full=CCR4-NOT transcription complex subunit 4; AltName: Full=CCR4-associated factor 4; AltName: Full=E3 ubiquitin-prot" 87.64 575 98.72 100.00 2.14e-48 TPG DAA30359 "TPA: CCR4-NOT transcription complex, subunit 4 [Bos taurus]" 87.64 642 98.72 100.00 6.05e-48 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 09:56:56 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NOT4 Human 9606 Eukaryota Metazoa Homo sapiens 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 $NOT4 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NOT4 . mM . stop_ 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_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . C 13 . ppm 0 . . . . . $entry_citation $entry_citation . H 1 . ppm 0 . . . . . $entry_citation $entry_citation . N 15 . ppm 0 . . . . . $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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name NOT4 _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 . 1 GLY N N 110.2 . . 2 . 1 GLY H H 8.37 . . 3 . 1 GLY CA C 43.0 . . 4 . 2 LEU N N 121.2 . . 5 . 2 LEU H H 8.01 . . 6 . 2 LEU CA C 52.7 . . 7 . 2 LEU CB C 40.2 . . 8 . 3 VAL N N 122.0 . . 9 . 3 VAL H H 8.05 . . 10 . 3 VAL CA C 57.4 . . 11 . 3 VAL CB C 30.5 . . 12 . 4 PRO CA C 60.9 . . 13 . 4 PRO CB C 29.8 . . 14 . 5 ARG N N 121.6 . . 15 . 5 ARG H H 8.45 . . 16 . 5 ARG CA C 54.1 . . 17 . 5 ARG CB C 28.6 . . 18 . 6 GLY N N 109.9 . . 19 . 6 GLY H H 8.48 . . 20 . 6 GLY CA C 43.1 . . 21 . 7 SER N N 115.3 . . 22 . 7 SER H H 8.22 . . 23 . 7 SER CA C 56.2 . . 24 . 7 SER CB C 61.2 . . 25 . 9 MET N N 120.5 . . 26 . 9 MET H H 8.25 . . 27 . 9 MET CA C 53.7 . . 28 . 9 MET CB C 30.8 . . 29 . 10 LEU N N 122.2 . . 30 . 10 LEU H H 8.18 . . 31 . 10 LEU CA C 53.2 . . 32 . 10 LEU CB C 40.0 . . 33 . 11 GLU N N 120.8 . . 34 . 11 GLU H H 8.31 . . 35 . 11 GLU CA C 54.4 . . 36 . 11 GLU CB C 28.0 . . 37 . 12 MET N N 120.3 . . 38 . 12 MET H H 8.15 . . 39 . 12 MET CA C 53.4 . . 40 . 12 MET C C 174.0 . . 41 . 12 MET CB C 30.6 . . 42 . 13 SER N N 116.3 . . 43 . 13 SER H H 8.25 . . 44 . 13 SER HA H 4.43 . . 45 . 13 SER CA C 56.3 . . 46 . 13 SER C C 172.0 . . 47 . 13 SER CB C 61.3 . . 48 . 13 SER HB2 H 3.87 . . 49 . 14 ARG N N 122.3 . . 50 . 14 ARG H H 8.22 . . 51 . 14 ARG HA H 4.38 . . 52 . 14 ARG CA C 53.5 . . 53 . 14 ARG C C 173.7 . . 54 . 14 ARG CB C 28.9 . . 55 . 14 ARG HB2 H 1.64 . . 56 . 14 ARG HB3 H 1.77 . . 57 . 14 ARG HG2 H 1.86 . . 58 . 14 ARG HD3 H 3.20 . . 59 . 15 SER N N 118.6 . . 60 . 15 SER H H 8.44 . . 61 . 15 SER HA H 4.40 . . 62 . 15 SER CA C 53.9 . . 63 . 15 SER CB C 60.9 . . 64 . 15 SER HB2 H 3.90 . . 65 . 16 PRO HA H 4.43 . . 66 . 16 PRO CA C 61.4 . . 67 . 16 PRO C C 174.4 . . 68 . 16 PRO CB C 29.8 . . 69 . 16 PRO HB2 H 2.31 . . 70 . 16 PRO HB3 H 1.96 . . 71 . 16 PRO HG2 H 2.03 . . 72 . 16 PRO HD2 H 3.77 . . 73 . 16 PRO HD3 H 3.83 . . 74 . 16 PRO CG C 24.5 . . 75 . 16 PRO CD C 48.5 . . 76 . 17 ASP N N 118.3 . . 77 . 17 ASP H H 8.19 . . 78 . 17 ASP HA H 4.54 . . 79 . 17 ASP CA C 51.8 . . 80 . 17 ASP C C 173.5 . . 81 . 17 ASP CB C 38.9 . . 82 . 17 ASP HB2 H 2.57 . . 83 . 17 ASP HB3 H 2.69 . . 84 . 18 ALA N N 123.8 . . 85 . 18 ALA H H 7.93 . . 86 . 18 ALA HA H 4.30 . . 87 . 18 ALA CA C 50.2 . . 88 . 18 ALA C C 175.2 . . 89 . 18 ALA CB C 17.2 . . 90 . 18 ALA HB H 1.39 . . 91 . 19 LYS N N 120.5 . . 92 . 19 LYS H H 8.25 . . 93 . 19 LYS HA H 4.30 . . 94 . 19 LYS CA C 53.7 . . 95 . 19 LYS C C 174.1 . . 96 . 19 LYS CB C 30.8 . . 97 . 19 LYS HB2 H 1.84 . . 98 . 19 LYS HB3 H 1.77 . . 99 . 19 LYS HG2 H 1.43 . . 100 . 19 LYS HD2 H 1.68 . . 101 . 19 LYS HE2 H 3.02 . . 102 . 19 LYS CG C 22.3 . . 103 . 19 LYS CD C 26.7 . . 104 . 19 LYS CE C 40.0 . . 105 . 20 GLU N N 121.4 . . 106 . 20 GLU H H 8.35 . . 107 . 20 GLU HA H 4.31 . . 108 . 20 GLU CA C 53.7 . . 109 . 20 GLU C C 173.6 . . 110 . 20 GLU CB C 28.4 . . 111 . 20 GLU HB2 H 2.02 . . 112 . 20 GLU HB3 H 1.85 . . 113 . 20 GLU CG C 34.0 . . 114 . 20 GLU HG2 H 2.24 . . 115 . 21 ASP N N 122.5 . . 116 . 21 ASP H H 8.32 . . 117 . 21 ASP HA H 4.86 . . 118 . 21 ASP CA C 50.5 . . 119 . 21 ASP CB C 38.2 . . 120 . 21 ASP HB2 H 2.43 . . 121 . 21 ASP HB3 H 2.67 . . 122 . 22 PRO HA H 4.45 . . 123 . 22 PRO CA C 60.6 . . 124 . 22 PRO C C 174.3 . . 125 . 22 PRO CB C 30.0 . . 126 . 22 PRO HB2 H 2.27 . . 127 . 22 PRO HB3 H 1.84 . . 128 . 22 PRO HG2 H 2.01 . . 129 . 22 PRO HD2 H 3.69 . . 130 . 22 PRO HD3 H 3.83 . . 131 . 22 PRO CG C 24.6 . . 132 . 22 PRO CD C 48.3 . . 133 . 23 VAL N N 120.5 . . 134 . 23 VAL H H 8.29 . . 135 . 23 VAL HA H 4.05 . . 136 . 23 VAL CA C 60.0 . . 137 . 23 VAL C C 173.1 . . 138 . 23 VAL CB C 30.4 . . 139 . 23 VAL HB H 1.96 . . 140 . 23 VAL HG1 H 0.90 . . 141 . 23 VAL HG2 H 0.96 . . 142 . 23 VAL CG1 C 19.4 . . 143 . 23 VAL CG2 C 18.7 . . 144 . 24 GLU N N 123.7 . . 145 . 24 GLU H H 8.30 . . 146 . 24 GLU HA H 4.65 . . 147 . 24 GLU CA C 51.9 . . 148 . 24 GLU C C 173.0 . . 149 . 24 GLU CB C 30.4 . . 150 . 24 GLU HB2 H 1.65 . . 151 . 24 GLU HB3 H 1.59 . . 152 . 24 GLU HG2 H 1.93 . . 153 . 24 GLU CG C 33.3 . . 154 . 25 CYS N N 126.2 . . 155 . 25 CYS H H 8.57 . . 156 . 25 CYS HA H 4.55 . . 157 . 25 CYS CA C 54.3 . . 158 . 25 CYS CB C 29.4 . . 159 . 25 CYS HB2 H 3.63 . . 160 . 25 CYS HB3 H 2.80 . . 161 . 26 PRO HA H 4.55 . . 162 . 26 PRO CA C 62.0 . . 163 . 26 PRO C C 174.5 . . 164 . 26 PRO CB C 30.2 . . 165 . 26 PRO HB2 H 2.38 . . 166 . 26 PRO HB3 H 2.12 . . 167 . 26 PRO HG2 H 1.94 . . 168 . 26 PRO HD2 H 3.82 . . 169 . 26 PRO HD3 H 4.43 . . 170 . 26 PRO CG C 25.0 . . 171 . 26 PRO CD C 49.3 . . 172 . 27 LEU N N 120.7 . . 173 . 27 LEU H H 8.79 . . 174 . 27 LEU HA H 4.62 . . 175 . 27 LEU CA C 54.2 . . 176 . 27 LEU C C 175.5 . . 177 . 27 LEU CB C 40.8 . . 178 . 27 LEU HB2 H 1.71 . . 179 . 27 LEU HB3 H 2.53 . . 180 . 27 LEU HG H 1.81 . . 181 . 27 LEU HD1 H 1.14 . . 182 . 27 LEU HD2 H 1.01 . . 183 . 27 LEU CG C 25.4 . . 184 . 27 LEU CD1 C 25.0 . . 185 . 27 LEU CD2 C 21.0 . . 186 . 28 CYS N N 117.3 . . 187 . 28 CYS H H 7.93 . . 188 . 28 CYS HA H 4.78 . . 189 . 28 CYS CA C 56.5 . . 190 . 28 CYS C C 173.8 . . 191 . 28 CYS CB C 29.8 . . 192 . 28 CYS HB2 H 2.64 . . 193 . 28 CYS HB3 H 3.23 . . 194 . 29 MET N N 117.4 . . 195 . 29 MET H H 7.97 . . 196 . 29 MET HA H 4.25 . . 197 . 29 MET CA C 55.2 . . 198 . 29 MET C C 172.4 . . 199 . 29 MET CB C 26.6 . . 200 . 29 MET HB2 H 2.27 . . 201 . 29 MET HG2 H 2.39 . . 202 . 29 MET HE H 2.11 . . 203 . 29 MET CG C 30.8 . . 204 . 29 MET CE C 14.4 . . 205 . 30 GLU N N 119.7 . . 206 . 30 GLU H H 8.17 . . 207 . 30 GLU HA H 4.76 . . 208 . 30 GLU CA C 51.9 . . 209 . 30 GLU CB C 27.4 . . 210 . 30 GLU HB2 H 2.18 . . 211 . 30 GLU HG2 H 1.99 . . 212 . 30 GLU HG3 H 2.39 . . 213 . 30 GLU CG C 33.8 . . 214 . 31 PRO HA H 4.54 . . 215 . 31 PRO CA C 60.2 . . 216 . 31 PRO C C 174.9 . . 217 . 31 PRO CB C 29.7 . . 218 . 31 PRO HB2 H 2.22 . . 219 . 31 PRO HB3 H 1.85 . . 220 . 31 PRO HD2 H 3.88 . . 221 . 31 PRO CG C 25.0 . . 222 . 31 PRO CD C 48.2 . . 223 . 32 LEU N N 122.7 . . 224 . 32 LEU H H 8.36 . . 225 . 32 LEU HA H 4.36 . . 226 . 32 LEU CA C 52.7 . . 227 . 32 LEU C C 175.7 . . 228 . 32 LEU CB C 39.4 . . 229 . 32 LEU HB2 H 1.32 . . 230 . 32 LEU HB3 H 1.45 . . 231 . 32 LEU HG H 2.02 . . 232 . 32 LEU HD1 H 0.70 . . 233 . 32 LEU HD2 H 0.59 . . 234 . 32 LEU CG C 24.4 . . 235 . 32 LEU CD1 C 21.1 . . 236 . 32 LEU CD2 C 23.3 . . 237 . 33 GLU N N 123.0 . . 238 . 33 GLU H H 9.23 . . 239 . 33 GLU HA H 4.36 . . 240 . 33 GLU CA C 53.0 . . 241 . 33 GLU C C 176.1 . . 242 . 33 GLU CB C 28.6 . . 243 . 33 GLU HB2 H 2.30 . . 244 . 33 GLU HB3 H 1.88 . . 245 . 33 GLU HG2 H 2.36 . . 246 . 33 GLU HG3 H 2.47 . . 247 . 33 GLU CG C 34.2 . . 248 . 34 ILE N N 121.7 . . 249 . 34 ILE H H 8.65 . . 250 . 34 ILE HA H 3.86 . . 251 . 34 ILE CA C 61.6 . . 252 . 34 ILE C C 175.4 . . 253 . 34 ILE CB C 35.6 . . 254 . 34 ILE HB H 1.90 . . 255 . 34 ILE HG12 H 1.49 . . 256 . 34 ILE HG13 H 1.31 . . 257 . 34 ILE HG2 H 0.93 . . 258 . 34 ILE HD1 H 0.90 . . 259 . 34 ILE CG1 C 26.4 . . 260 . 34 ILE CG2 C 15.4 . . 261 . 34 ILE CD1 C 11.1 . . 262 . 35 ASP N N 117.2 . . 263 . 35 ASP H H 8.25 . . 264 . 35 ASP HA H 4.41 . . 265 . 35 ASP CA C 54.0 . . 266 . 35 ASP C C 174.8 . . 267 . 35 ASP CB C 38.3 . . 268 . 35 ASP HB2 H 2.56 . . 269 . 35 ASP HB3 H 2.37 . . 270 . 36 ASP N N 117.2 . . 271 . 36 ASP H H 7.80 . . 272 . 36 ASP HA H 4.74 . . 273 . 36 ASP CA C 52.6 . . 274 . 36 ASP C C 175.4 . . 275 . 36 ASP CB C 40.5 . . 276 . 36 ASP HB2 H 2.64 . . 277 . 36 ASP HB3 H 2.91 . . 278 . 37 ILE N N 120.0 . . 279 . 37 ILE H H 7.47 . . 280 . 37 ILE HA H 3.63 . . 281 . 37 ILE CA C 61.5 . . 282 . 37 ILE C C 174.1 . . 283 . 37 ILE CB C 35.6 . . 284 . 37 ILE HB H 1.88 . . 285 . 37 ILE HG12 H 1.26 . . 286 . 37 ILE HG13 H 1.49 . . 287 . 37 ILE HG2 H 0.89 . . 288 . 37 ILE HD1 H 0.80 . . 289 . 37 ILE CG1 C 26.6 . . 290 . 37 ILE CG2 C 15.8 . . 291 . 37 ILE CD1 C 11.3 . . 292 . 38 ASN N N 116.4 . . 293 . 38 ASN H H 7.77 . . 294 . 38 ASN HA H 4.89 . . 295 . 38 ASN CA C 49.8 . . 296 . 38 ASN C C 171.0 . . 297 . 38 ASN CB C 36.7 . . 298 . 38 ASN HB2 H 3.02 . . 299 . 38 ASN HB3 H 2.62 . . 300 . 38 ASN HD21 H 7.56 . . 301 . 38 ASN HD22 H 6.91 . . 302 . 38 ASN ND2 N 112.8 . . 303 . 39 PHE N N 121.3 . . 304 . 39 PHE H H 7.11 . . 305 . 39 PHE HA H 4.59 . . 306 . 39 PHE CA C 54.2 . . 307 . 39 PHE C C 170.7 . . 308 . 39 PHE CB C 37.4 . . 309 . 39 PHE HB2 H 3.12 . . 310 . 39 PHE HB3 H 2.92 . . 311 . 39 PHE HD1 H 7.11 . . 312 . 39 PHE HE1 H 6.42 . . 313 . 39 PHE HZ H 5.16 . . 314 . 40 PHE N N 125.7 . . 315 . 40 PHE H H 8.23 . . 316 . 40 PHE HA H 4.75 . . 317 . 40 PHE CA C 52.5 . . 318 . 40 PHE CB C 37.4 . . 319 . 40 PHE HB2 H 2.60 . . 320 . 40 PHE HB3 H 2.78 . . 321 . 40 PHE HD1 H 7.03 . . 322 . 40 PHE HE1 H 7.24 . . 323 . 40 PHE HZ H 7.24 . . 324 . 41 PRO HA H 3.74 . . 325 . 41 PRO CA C 61.0 . . 326 . 41 PRO C C 173.3 . . 327 . 41 PRO CB C 29.5 . . 328 . 41 PRO HB2 H 1.16 . . 329 . 41 PRO HB3 H 0.97 . . 330 . 41 PRO HG2 H 2.00 . . 331 . 41 PRO HG3 H 1.30 . . 332 . 41 PRO HD2 H 3.58 . . 333 . 41 PRO HD3 H 1.83 . . 334 . 41 PRO CG C 23.2 . . 335 . 41 PRO CD C 47.2 . . 336 . 42 CYS N N 119.8 . . 337 . 42 CYS H H 8.56 . . 338 . 42 CYS HA H 5.02 . . 339 . 42 CYS CA C 56.1 . . 340 . 42 CYS C C 175.1 . . 341 . 42 CYS CB C 31.2 . . 342 . 42 CYS HB2 H 2.95 . . 343 . 42 CYS HB3 H 3.24 . . 344 . 43 THR N N 124.0 . . 345 . 43 THR H H 8.53 . . 346 . 43 THR HA H 4.09 . . 347 . 43 THR CA C 62.1 . . 348 . 43 THR C C 173.9 . . 349 . 43 THR CB C 66.2 . . 350 . 43 THR HB H 4.39 . . 351 . 43 THR HG2 H 1.31 . . 352 . 43 THR CG2 C 19.5 . . 353 . 44 CYS N N 125.5 . . 354 . 44 CYS H H 9.56 . . 355 . 44 CYS HA H 4.59 . . 356 . 44 CYS CA C 58.1 . . 357 . 44 CYS C C 174.9 . . 358 . 44 CYS CB C 27.6 . . 359 . 44 CYS HB2 H 2.94 . . 360 . 44 CYS HB3 H 3.32 . . 361 . 45 GLY N N 108.6 . . 362 . 45 GLY H H 7.74 . . 363 . 45 GLY HA2 H 3.60 . . 364 . 45 GLY HA3 H 4.39 . . 365 . 45 GLY CA C 43.0 . . 366 . 45 GLY C C 171.0 . . 367 . 46 TYR N N 124.4 . . 368 . 46 TYR H H 8.84 . . 369 . 46 TYR HA H 4.50 . . 370 . 46 TYR CA C 57.5 . . 371 . 46 TYR C C 173.9 . . 372 . 46 TYR CB C 37.1 . . 373 . 46 TYR HB2 H 2.71 . . 374 . 46 TYR HB3 H 2.94 . . 375 . 46 TYR HD1 H 7.12 . . 376 . 46 TYR HE1 H 6.66 . . 377 . 47 GLN N N 133.2 . . 378 . 47 GLN H H 8.48 . . 379 . 47 GLN HA H 4.22 . . 380 . 47 GLN CA C 55.3 . . 381 . 47 GLN C C 171.6 . . 382 . 47 GLN CB C 29.4 . . 383 . 47 GLN HB2 H 1.72 . . 384 . 47 GLN HB3 H 1.95 . . 385 . 47 GLN HG2 H 2.21 . . 386 . 47 GLN HG3 H 1.77 . . 387 . 47 GLN HE21 H 6.76 . . 388 . 47 GLN HE22 H 5.93 . . 389 . 47 GLN CG C 33.4 . . 390 . 47 GLN NE2 N 113.1 . . 391 . 48 ILE N N 113.2 . . 392 . 48 ILE H H 6.66 . . 393 . 48 ILE HA H 4.83 . . 394 . 48 ILE CA C 56.5 . . 395 . 48 ILE C C 171.7 . . 396 . 48 ILE CB C 40.1 . . 397 . 48 ILE HB H 2.12 . . 398 . 48 ILE HG2 H 1.00 . . 399 . 48 ILE HG12 H 1.09 . . 400 . 48 ILE HG13 H 1.62 . . 401 . 48 ILE HD1 H 1.05 . . 402 . 48 ILE CG2 C 17.2 . . 403 . 48 ILE CD1 C 13.8 . . 404 . 48 ILE CG1 C 22.9 . . 405 . 49 CYS N N 120.4 . . 406 . 49 CYS H H 9.28 . . 407 . 49 CYS HA H 4.67 . . 408 . 49 CYS CA C 55.7 . . 409 . 49 CYS C C 173.3 . . 410 . 49 CYS CB C 29.6 . . 411 . 49 CYS HB2 H 3.60 . . 412 . 49 CYS HB3 H 2.90 . . 413 . 50 ARG N N 117.9 . . 414 . 50 ARG H H 8.53 . . 415 . 50 ARG HA H 3.91 . . 416 . 50 ARG CA C 56.9 . . 417 . 50 ARG C C 176.4 . . 418 . 50 ARG CB C 27.7 . . 419 . 50 ARG HB2 H 1.57 . . 420 . 50 ARG HB3 H 1.42 . . 421 . 50 ARG HG2 H 0.86 . . 422 . 50 ARG HG3 H 0.75 . . 423 . 50 ARG HD2 H 2.70 . . 424 . 50 ARG CG C 25.1 . . 425 . 50 ARG CD C 40.6 . . 426 . 51 PHE N N 121.3 . . 427 . 51 PHE H H 8.15 . . 428 . 51 PHE HA H 4.37 . . 429 . 51 PHE CA C 59.3 . . 430 . 51 PHE C C 177.2 . . 431 . 51 PHE CB C 36.2 . . 432 . 51 PHE HB2 H 3.40 . . 433 . 51 PHE HD1 H 7.46 . . 434 . 51 PHE HE1 H 7.41 . . 435 . 51 PHE HZ H 7.35 . . 436 . 52 CYS N N 126.8 . . 437 . 52 CYS H H 9.60 . . 438 . 52 CYS HA H 4.02 . . 439 . 52 CYS CA C 63.4 . . 440 . 52 CYS C C 174.8 . . 441 . 52 CYS CB C 26.5 . . 442 . 52 CYS HB2 H 3.28 . . 443 . 52 CYS HB3 H 3.00 . . 444 . 53 TRP N N 121.6 . . 445 . 53 TRP H H 8.72 . . 446 . 53 TRP HA H 4.01 . . 447 . 53 TRP CA C 59.4 . . 448 . 53 TRP C C 174.6 . . 449 . 53 TRP CB C 26.4 . . 450 . 53 TRP HB2 H 3.62 . . 451 . 53 TRP HB3 H 3.05 . . 452 . 53 TRP HD1 H 5.63 . . 453 . 53 TRP HE1 H 9.77 . . 454 . 53 TRP HZ2 H 7.43 . . 455 . 53 TRP HE3 H 7.59 . . 456 . 53 TRP HZ3 H 6.97 . . 457 . 53 TRP HH2 H 7.22 . . 458 . 53 TRP NE1 N 130.8 . . 459 . 54 HIS N N 117.1 . . 460 . 54 HIS H H 8.46 . . 461 . 54 HIS HA H 3.66 . . 462 . 54 HIS CA C 57.9 . . 463 . 54 HIS C C 173.5 . . 464 . 54 HIS CB C 28.0 . . 465 . 54 HIS HB2 H 3.18 . . 466 . 54 HIS HD1 H 6.97 . . 467 . 55 ARG N N 121.8 . . 468 . 55 ARG H H 8.05 . . 469 . 55 ARG HA H 3.90 . . 470 . 55 ARG CA C 57.4 . . 471 . 55 ARG C C 174.5 . . 472 . 55 ARG CB C 27.5 . . 473 . 55 ARG HB2 H 2.03 . . 474 . 55 ARG HB3 H 1.83 . . 475 . 55 ARG HG2 H 1.75 . . 476 . 55 ARG HG3 H 1.50 . . 477 . 55 ARG HD2 H 3.35 . . 478 . 55 ARG HD3 H 3.21 . . 479 . 55 ARG HE H 7.34 . . 480 . 55 ARG CG C 25.1 . . 481 . 55 ARG CD C 40.6 . . 482 . 56 ILE N N 120.7 . . 483 . 56 ILE H H 8.79 . . 484 . 56 ILE HA H 3.62 . . 485 . 56 ILE CA C 62.9 . . 486 . 56 ILE C C 177.1 . . 487 . 56 ILE CB C 36.0 . . 488 . 56 ILE HB H 1.94 . . 489 . 56 ILE HD1 H 1.02 . . 490 . 56 ILE HG2 H 1.08 . . 491 . 56 ILE HG12 H 1.19 . . 492 . 56 ILE HG13 H 1.84 . . 493 . 56 ILE CG1 C 27.1 . . 494 . 56 ILE CG2 C 16.2 . . 495 . 56 ILE CD1 C 12.1 . . 496 . 57 ARG N N 116.3 . . 497 . 57 ARG H H 7.80 . . 498 . 57 ARG HA H 3.76 . . 499 . 57 ARG CA C 56.8 . . 500 . 57 ARG C C 175.0 . . 501 . 57 ARG CB C 28.0 . . 502 . 57 ARG HB2 H 1.53 . . 503 . 57 ARG HB3 H 1.30 . . 504 . 57 ARG HG2 H 1.30 . . 505 . 57 ARG HG3 H 1.20 . . 506 . 57 ARG HD2 H 2.32 . . 507 . 57 ARG CG C 26.6 . . 508 . 57 ARG CD C 40.3 . . 509 . 58 THR N N 111.8 . . 510 . 58 THR H H 7.87 . . 511 . 58 THR HA H 4.01 . . 512 . 58 THR CA C 62.2 . . 513 . 58 THR C C 172.9 . . 514 . 58 THR CB C 66.9 . . 515 . 58 THR HB H 3.84 . . 516 . 58 THR HG2 H 0.99 . . 517 . 58 THR CG2 C 18.9 . . 518 . 59 ASP N N 119.8 . . 519 . 59 ASP H H 8.46 . . 520 . 59 ASP HA H 4.87 . . 521 . 59 ASP CA C 52.5 . . 522 . 59 ASP C C 174.5 . . 523 . 59 ASP CB C 40.9 . . 524 . 59 ASP HB2 H 2.64 . . 525 . 59 ASP HB3 H 2.76 . . 526 . 60 GLU N N 118.6 . . 527 . 60 GLU H H 7.05 . . 528 . 60 GLU HA H 4.77 . . 529 . 60 GLU CA C 52.1 . . 530 . 60 GLU C C 173.7 . . 531 . 60 GLU CB C 26.8 . . 532 . 60 GLU HB2 H 2.37 . . 533 . 60 GLU HB3 H 2.23 . . 534 . 60 GLU HG2 H 2.17 . . 535 . 60 GLU CG C 33.0 . . 536 . 61 ASN N N 115.9 . . 537 . 61 ASN H H 7.77 . . 538 . 61 ASN HA H 4.62 . . 539 . 61 ASN CA C 50.8 . . 540 . 61 ASN C C 174.2 . . 541 . 61 ASN CB C 36.0 . . 542 . 61 ASN HB2 H 2.91 . . 543 . 61 ASN HB3 H 3.08 . . 544 . 61 ASN HD21 H 7.69 . . 545 . 61 ASN HD22 H 6.86 . . 546 . 62 GLY N N 105.0 . . 547 . 62 GLY H H 7.90 . . 548 . 62 GLY HA2 H 3.42 . . 549 . 62 GLY HA3 H 4.11 . . 550 . 62 GLY CA C 45.1 . . 551 . 62 GLY C C 170.2 . . 552 . 63 LEU N N 117.7 . . 553 . 63 LEU H H 7.12 . . 554 . 63 LEU HA H 4.23 . . 555 . 63 LEU CA C 50.6 . . 556 . 63 LEU C C 173.0 . . 557 . 63 LEU CB C 40.7 . . 558 . 63 LEU HB2 H 1.38 . . 559 . 63 LEU HB3 H 0.69 . . 560 . 63 LEU HG H 1.28 . . 561 . 63 LEU HD1 H 0.74 . . 562 . 63 LEU HD2 H 0.53 . . 563 . 63 LEU CG C 23.5 . . 564 . 63 LEU CD1 C 19.4 . . 565 . 63 LEU CD2 C 22.8 . . 566 . 64 CYS N N 124.5 . . 567 . 64 CYS H H 7.76 . . 568 . 64 CYS HA H 4.43 . . 569 . 64 CYS CA C 54.1 . . 570 . 64 CYS CB C 29.1 . . 571 . 64 CYS HB2 H 2.96 . . 572 . 64 CYS HB3 H 2.58 . . 573 . 65 PRO HA H 4.21 . . 574 . 65 PRO CA C 61.9 . . 575 . 65 PRO C C 174.3 . . 576 . 65 PRO CB C 30.0 . . 577 . 65 PRO HB2 H 2.49 . . 578 . 65 PRO HB3 H 1.89 . . 579 . 65 PRO HG2 H 2.19 . . 580 . 65 PRO HG3 H 1.90 . . 581 . 65 PRO HD2 H 4.47 . . 582 . 65 PRO HD3 H 4.17 . . 583 . 65 PRO CG C 25.7 . . 584 . 65 PRO CD C 49.3 . . 585 . 66 ALA N N 120.8 . . 586 . 66 ALA H H 8.26 . . 587 . 66 ALA HA H 4.02 . . 588 . 66 ALA CA C 51.4 . . 589 . 66 ALA C C 175.7 . . 590 . 66 ALA CB C 17.7 . . 591 . 66 ALA HB H 0.60 . . 592 . 67 CYS N N 116.3 . . 593 . 67 CYS H H 7.87 . . 594 . 67 CYS HA H 4.71 . . 595 . 67 CYS CA C 56.2 . . 596 . 67 CYS C C 174.0 . . 597 . 67 CYS CB C 29.2 . . 598 . 67 CYS HB2 H 3.07 . . 599 . 67 CYS HB3 H 2.57 . . 600 . 68 ARG N N 116.6 . . 601 . 68 ARG H H 7.77 . . 602 . 68 ARG HA H 3.89 . . 603 . 68 ARG CA C 55.2 . . 604 . 68 ARG C C 171.5 . . 605 . 68 ARG CB C 24.1 . . 606 . 68 ARG HB2 H 1.98 . . 607 . 68 ARG HB3 H 2.05 . . 608 . 68 ARG HG2 H 1.35 . . 609 . 68 ARG HG3 H 1.46 . . 610 . 68 ARG HD2 H 3.05 . . 611 . 68 ARG CG C 25.1 . . 612 . 68 ARG CD C 40.4 . . 613 . 69 LYS N N 122.5 . . 614 . 69 LYS H H 8.4 . . 615 . 69 LYS HA H 4.58 . . 616 . 69 LYS CA C 52.6 . . 617 . 69 LYS CB C 31.3 . . 618 . 69 LYS HB2 H 1.90 . . 619 . 69 LYS HB3 H 1.70 . . 620 . 69 LYS HG2 H 1.49 . . 621 . 69 LYS HD2 H 1.76 . . 622 . 69 LYS HE2 H 3.03 . . 623 . 69 LYS CG C 22.3 . . 624 . 69 LYS CD C 26.7 . . 625 . 69 LYS CE C 39.7 . . 626 . 70 PRO HA H 4.53 . . 627 . 70 PRO CA C 60.3 . . 628 . 70 PRO C C 176.0 . . 629 . 70 PRO CB C 29.4 . . 630 . 70 PRO HB2 H 2.20 . . 631 . 70 PRO HB3 H 1.81 . . 632 . 70 PRO HG2 H 2.08 . . 633 . 70 PRO HG3 H 1.88 . . 634 . 70 PRO HD2 H 3.85 . . 635 . 70 PRO HD3 H 3.59 . . 636 . 70 PRO CG C 25.5 . . 637 . 70 PRO CD C 48.3 . . 638 . 71 TYR N N 125.0 . . 639 . 71 TYR H H 8.52 . . 640 . 71 TYR HA H 5.12 . . 641 . 71 TYR CA C 54.2 . . 642 . 71 TYR CB C 35.7 . . 643 . 71 TYR HB2 H 2.56 . . 644 . 71 TYR HB3 H 3.49 . . 645 . 71 TYR HD1 H 7.03 . . 646 . 71 TYR HE1 H 6.93 . . 647 . 72 PRO HA H 4.65 . . 648 . 72 PRO CA C 60.0 . . 649 . 72 PRO C C 174.3 . . 650 . 72 PRO CB C 30.4 . . 651 . 72 PRO HB2 H 2.45 . . 652 . 72 PRO HB3 H 2.13 . . 653 . 72 PRO HG2 H 2.22 . . 654 . 72 PRO HD2 H 4.24 . . 655 . 72 PRO HD3 H 4.35 . . 656 . 72 PRO CG C 25.2 . . 657 . 72 PRO CD C 48.8 . . 658 . 73 GLU N N 120.2 . . 659 . 73 GLU H H 8.58 . . 660 . 73 GLU HA H 4.15 . . 661 . 73 GLU CA C 55.1 . . 662 . 73 GLU C C 173.7 . . 663 . 73 GLU CB C 28.1 . . 664 . 73 GLU HB2 H 1.99 . . 665 . 73 GLU HB3 H 2.11 . . 666 . 73 GLU CG C 34.2 . . 667 . 73 GLU HG2 H 2.30 . . 668 . 73 GLU HG3 H 2.43 . . 669 . 74 ASP N N 119.0 . . 670 . 74 ASP H H 8.22 . . 671 . 74 ASP HA H 5.08 . . 672 . 74 ASP CA C 49.3 . . 673 . 74 ASP CB C 39.5 . . 674 . 74 ASP HB2 H 2.58 . . 675 . 74 ASP HB3 H 2.82 . . 676 . 75 PRO HA H 4.39 . . 677 . 75 PRO CA C 60.8 . . 678 . 75 PRO C C 174.3 . . 679 . 75 PRO CB C 30.0 . . 680 . 75 PRO HB2 H 2.29 . . 681 . 75 PRO HB3 H 2.17 . . 682 . 75 PRO HG2 H 1.93 . . 683 . 75 PRO HD2 H 3.91 . . 684 . 75 PRO HD3 H 3.70 . . 685 . 75 PRO CG C 24.6 . . 686 . 75 PRO CD C 48.7 . . 687 . 76 ALA N N 122.6 . . 688 . 76 ALA H H 8.22 . . 689 . 76 ALA HA H 4.28 . . 690 . 76 ALA CA C 50.5 . . 691 . 76 ALA C C 175.6 . . 692 . 76 ALA CB C 17.0 . . 693 . 76 ALA HB H 1.36 . . 694 . 77 VAL N N 117.4 . . 695 . 77 VAL H H 7.78 . . 696 . 77 VAL HA H 4.04 . . 697 . 77 VAL CA C 60.0 . . 698 . 77 VAL C C 173.3 . . 699 . 77 VAL CB C 30.7 . . 700 . 77 VAL HB H 2.01 . . 701 . 77 VAL HG1 H 0.89 . . 702 . 77 VAL HG2 H 0.82 . . 703 . 77 VAL CG1 C 18.3 . . 704 . 77 VAL CG2 C 18.3 . . 705 . 78 TYR N N 123.7 . . 706 . 78 TYR H H 8.10 . . 707 . 78 TYR HA H 4.60 . . 708 . 78 TYR CA C 55.1 . . 709 . 78 TYR C C 172.4 . . 710 . 78 TYR CB C 36.8 . . 711 . 78 TYR HB2 H 2.92 . . 712 . 78 TYR HB3 H 2.92 . . 713 . 78 TYR HD1 H 7.02 . . 714 . 78 TYR HE1 H 6.74 . . 715 . 79 LYS N N 125.6 . . 716 . 79 LYS H H 7.92 . . 717 . 79 LYS HA H 4.48 . . 718 . 79 LYS CA C 51.2 . . 719 . 79 LYS CB C 30.9 . . 720 . 79 LYS HB2 H 1.68 . . 721 . 79 LYS HB3 H 1.62 . . 722 . 79 LYS HG2 H 1.32 . . 723 . 79 LYS HD2 H 1.63 . . 724 . 79 LYS HE2 H 2.93 . . 725 . 79 LYS CG C 21.7 . . 726 . 79 LYS CD C 26.7 . . 727 . 79 LYS CE C 39.8 . . 728 . 80 PRO HA H 4.31 . . 729 . 80 PRO CA C 60.5 . . 730 . 80 PRO C C 174.6 . . 731 . 80 PRO CB C 29.7 . . 732 . 80 PRO HB2 H 2.24 . . 733 . 80 PRO HB3 H 1.88 . . 734 . 80 PRO HG2 H 1.93 . . 735 . 80 PRO HD2 H 3.46 . . 736 . 80 PRO HD3 H 3.51 . . 737 . 80 PRO CG C 24.5 . . 738 . 80 PRO CD C 48.2 . . 739 . 81 LEU N N 122.1 . . 740 . 81 LEU H H 8.28 . . 741 . 81 LEU HA H 4.31 . . 742 . 81 LEU CA C 53.0 . . 743 . 81 LEU C C 175.2 . . 744 . 81 LEU CB C 40.2 . . 745 . 81 LEU HB2 H 1.60 . . 746 . 81 LEU HD1 H 0.90 . . 747 . 81 LEU HD2 H 0.85 . . 748 . 81 LEU CG C 24.6 . . 749 . 81 LEU CD1 C 22.4 . . 750 . 81 LEU CD2 C 21.1 . . 751 . 82 SER N N 116.6 . . 752 . 82 SER H H 8.44 . . 753 . 82 SER HA H 4.45 . . 754 . 82 SER CA C 55.6 . . 755 . 82 SER C C 172.4 . . 756 . 82 SER CB C 62.0 . . 757 . 82 SER HB2 H 3.95 . . 758 . 83 GLN N N 121.4 . . 759 . 83 GLN H H 8.59 . . 760 . 83 GLN HA H 4.20 . . 761 . 83 GLN CA C 54.9 . . 762 . 83 GLN C C 174.6 . . 763 . 83 GLN CB C 26.7 . . 764 . 83 GLN HB2 H 2.00 . . 765 . 83 GLN CG C 31.5 . . 766 . 84 GLN N N 120.0 . . 767 . 84 GLN H H 8.45 . . 768 . 84 GLN HA H 4.14 . . 769 . 84 GLN CA C 55.7 . . 770 . 84 GLN C C 175.2 . . 771 . 84 GLN CB C 27.6 . . 772 . 84 GLN HB2 H 1.97 . . 773 . 84 GLN HG2 H 2.25 . . 774 . 84 GLN CG C 34.2 . . 775 . 85 GLU N N 120.3 . . 776 . 85 GLU H H 8.11 . . 777 . 85 GLU HA H 4.17 . . 778 . 85 GLU CA C 55.1 . . 779 . 85 GLU C C 175.0 . . 780 . 85 GLU CB C 28.3 . . 781 . 85 GLU HB2 H 2.02 . . 782 . 85 GLU HG2 H 2.25 . . 783 . 85 GLU CG C 34.2 . . 784 . 86 LEU N N 121.4 . . 785 . 86 LEU H H 8.07 . . 786 . 86 LEU HA H 4.23 . . 787 . 86 LEU CA C 53.5 . . 788 . 86 LEU C C 175.3 . . 789 . 86 LEU CB C 39.9 . . 790 . 86 LEU HB2 H 1.69 . . 791 . 86 LEU HB3 H 1.56 . . 792 . 86 LEU HG H 1.60 . . 793 . 86 LEU HD1 H 0.88 . . 794 . 86 LEU HD2 H 0.85 . . 795 . 86 LEU CG C 24.4 . . 796 . 86 LEU CD1 C 22.5 . . 797 . 86 LEU CD2 C 21.1 . . 798 . 87 GLN N N 119.0 . . 799 . 87 GLN H H 8.04 . . 800 . 87 GLN HA H 4.29 . . 801 . 87 GLN CA C 53.6 . . 802 . 87 GLN C C 173.4 . . 803 . 87 GLN CB C 26.9 . . 804 . 87 GLN HB2 H 1.99 . . 805 . 87 GLN HB3 H 20.9 . . 806 . 87 GLN HG2 H 2.38 . . 807 . 87 GLN CG C 31.6 . . 808 . 88 ARG N N 122.0 . . 809 . 88 ARG H H 8.05 . . 810 . 88 ARG HA H 4.37 . . 811 . 88 ARG CA C 53.9 . . 812 . 88 ARG C C 173.0 . . 813 . 88 ARG CB C 28.4 . . 814 . 88 ARG HB2 H 1.64 . . 815 . 88 ARG HB3 H 1.77 . . 816 . 88 ARG HG2 H 1.86 . . 817 . 88 ARG HD2 H 3.20 . . 818 . 88 ARG CG C 24.3 . . 819 . 88 ARG CD C 41.2 . . 820 . 89 ILE N N 125.9 . . 821 . 89 ILE H H 7.62 . . 822 . 89 ILE HA H 4.06 . . 823 . 89 ILE CA C 60.5 . . 824 . 89 ILE CB C 37.0 . . 825 . 89 ILE HB H 1.83 . . 826 . 89 ILE HG12 H 1.42 . . 827 . 89 ILE HG13 H 1.15 . . 828 . 89 ILE HG2 H 0.89 . . 829 . 89 ILE HD1 H 0.85 . . 830 . 89 ILE CG1 C 24.7 . . 831 . 89 ILE CG2 C 15.6 . . 832 . 89 ILE CD1 C 11.4 . . stop_ save_