data_17329 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure of Calcium Bound CIB1 ; _BMRB_accession_number 17329 _BMRB_flat_file_name bmr17329.str _Entry_type original _Submission_date 2010-11-30 _Accession_date 2010-11-30 _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 Huang Hao . . 2 Vogel Hans J. . 3 Ishida Hiroaki . . 4 Yamniuk Aaron P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 238 "13C chemical shifts" 603 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-13 update BMRB 'update entry citation' 2011-03-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17328 'magnesium bound CIB1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structures of Ca2+-CIB1 and Mg2+-CIB1 and Their Interactions with the Platelet Integrin {alpha}IIb Cytoplasmic Domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21388953 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Hao . . 2 Ishida Hiroaki . . 3 Yamniuk Aaron P. . 4 Vogel Hans J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17181 _Page_last 17192 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $CIB1 'CALCIUM ION 1' $CA 'CALCIUM ION 2' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CIB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CIB1 _Molecular_mass 21093.814 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIDDD DKHMGGSGSRLSKELLAEYQ DLTFLTKQEILLAHRRFCEL LPQEQRSVESSLRAQVPFEQ ILSLPELKANPFKERICRVF STSPAKDSLSFEDFLDLLSV FSDTATPDIKSHYAFRIFDF DDDGTLNREDLSRLVNCLTG EGEDTRLSASEMKQLIDNIL EESDIDRDGTINLSEFQHVI SRSPDFASSFKIVL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 HIS 4 -19 HIS 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 HIS 12 -11 HIS 13 -10 SER 14 -9 SER 15 -8 GLY 16 -7 HIS 17 -6 ILE 18 -5 ASP 19 -4 ASP 20 -3 ASP 21 -2 ASP 22 -1 LYS 23 0 HIS 24 1 MET 25 2 GLY 26 3 GLY 27 4 SER 28 5 GLY 29 6 SER 30 7 ARG 31 8 LEU 32 9 SER 33 10 LYS 34 11 GLU 35 12 LEU 36 13 LEU 37 14 ALA 38 15 GLU 39 16 TYR 40 17 GLN 41 18 ASP 42 19 LEU 43 20 THR 44 21 PHE 45 22 LEU 46 23 THR 47 24 LYS 48 25 GLN 49 26 GLU 50 27 ILE 51 28 LEU 52 29 LEU 53 30 ALA 54 31 HIS 55 32 ARG 56 33 ARG 57 34 PHE 58 35 CYS 59 36 GLU 60 37 LEU 61 38 LEU 62 39 PRO 63 40 GLN 64 41 GLU 65 42 GLN 66 43 ARG 67 44 SER 68 45 VAL 69 46 GLU 70 47 SER 71 48 SER 72 49 LEU 73 50 ARG 74 51 ALA 75 52 GLN 76 53 VAL 77 54 PRO 78 55 PHE 79 56 GLU 80 57 GLN 81 58 ILE 82 59 LEU 83 60 SER 84 61 LEU 85 62 PRO 86 63 GLU 87 64 LEU 88 65 LYS 89 66 ALA 90 67 ASN 91 68 PRO 92 69 PHE 93 70 LYS 94 71 GLU 95 72 ARG 96 73 ILE 97 74 CYS 98 75 ARG 99 76 VAL 100 77 PHE 101 78 SER 102 79 THR 103 80 SER 104 81 PRO 105 82 ALA 106 83 LYS 107 84 ASP 108 85 SER 109 86 LEU 110 87 SER 111 88 PHE 112 89 GLU 113 90 ASP 114 91 PHE 115 92 LEU 116 93 ASP 117 94 LEU 118 95 LEU 119 96 SER 120 97 VAL 121 98 PHE 122 99 SER 123 100 ASP 124 101 THR 125 102 ALA 126 103 THR 127 104 PRO 128 105 ASP 129 106 ILE 130 107 LYS 131 108 SER 132 109 HIS 133 110 TYR 134 111 ALA 135 112 PHE 136 113 ARG 137 114 ILE 138 115 PHE 139 116 ASP 140 117 PHE 141 118 ASP 142 119 ASP 143 120 ASP 144 121 GLY 145 122 THR 146 123 LEU 147 124 ASN 148 125 ARG 149 126 GLU 150 127 ASP 151 128 LEU 152 129 SER 153 130 ARG 154 131 LEU 155 132 VAL 156 133 ASN 157 134 CYS 158 135 LEU 159 136 THR 160 137 GLY 161 138 GLU 162 139 GLY 163 140 GLU 164 141 ASP 165 142 THR 166 143 ARG 167 144 LEU 168 145 SER 169 146 ALA 170 147 SER 171 148 GLU 172 149 MET 173 150 LYS 174 151 GLN 175 152 LEU 176 153 ILE 177 154 ASP 178 155 ASN 179 156 ILE 180 157 LEU 181 158 GLU 182 159 GLU 183 160 SER 184 161 ASP 185 162 ILE 186 163 ASP 187 164 ARG 188 165 ASP 189 166 GLY 190 167 THR 191 168 ILE 192 169 ASN 193 170 LEU 194 171 SER 195 172 GLU 196 173 PHE 197 174 GLN 198 175 HIS 199 176 VAL 200 177 ILE 201 178 SER 202 179 ARG 203 180 SER 204 181 PRO 205 182 ASP 206 183 PHE 207 184 ALA 208 185 SER 209 186 SER 210 187 PHE 211 188 LYS 212 189 ILE 213 190 VAL 214 191 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 17328 CIB1 100.00 214 100.00 100.00 1.46e-151 BMRB 18099 CIB1 100.00 214 100.00 100.00 1.46e-151 PDB 1DGU "Homology-Based Model Of Calcium-Saturated Cib (Calcium-And Integrin-Binding Protein)" 85.51 183 100.00 100.00 3.47e-126 PDB 1DGV "Homology-Based Model Of Apo Cib (Calcium-And Integrin- Binding Protein)" 85.51 183 100.00 100.00 3.47e-126 PDB 1XO5 "Crystal Structure Of Cib1, An Ef-Hand, Integrin And Kinase- Binding Protein" 85.51 183 100.00 100.00 3.47e-126 PDB 1Y1A "Crystal Structure Of Calcium And Integrin Binding Protein" 85.51 183 100.00 100.00 3.47e-126 PDB 2L4H "The Solution Structure Of Calcium Bound Cib1" 100.00 214 100.00 100.00 1.46e-151 PDB 2L4I "The Solution Structure Of Magnesium Bound Cib1" 100.00 214 100.00 100.00 1.46e-151 PDB 2LM5 "Solution Structure Of Ca2+-cib1 In Complex With The Cytoplasmic Domain Of The Integrin Aiib Subunit" 100.00 214 100.00 100.00 1.46e-151 DBJ BAA36281 "KIP [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 DBJ BAG70090 "calcium and integrin binding 1 [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 DBJ BAG70220 "calcium and integrin binding 1 [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 DBJ BAG72967 "calcium and integrin binding 1 [synthetic construct]" 89.25 191 100.00 100.00 6.93e-133 EMBL CAG33236 "CIB1 [Homo sapiens]" 89.25 191 99.48 99.48 4.90e-132 GB AAB39758 "Snk interacting protein 2-28 [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 GB AAB53387 "DNA-PK interaction protein [Homo sapiens]" 89.25 191 99.48 100.00 2.09e-132 GB AAC51106 "calcium and integrin binding protein CIB [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 GB AAH00846 "Calcium and integrin binding 1 (calmyrin) [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 GB ABM82122 "calcium and integrin binding 1 (calmyrin) [synthetic construct]" 89.25 191 100.00 100.00 6.93e-133 REF NP_006375 "calcium and integrin-binding protein 1 isoform b [Homo sapiens]" 89.25 191 100.00 100.00 6.93e-133 REF XP_001096008 "PREDICTED: calcium and integrin-binding protein 1 isoform 1 [Macaca mulatta]" 89.25 191 97.38 98.43 6.17e-129 REF XP_003268547 "PREDICTED: calcium and integrin-binding protein 1 [Nomascus leucogenys]" 89.25 191 97.91 99.48 6.21e-130 REF XP_003807774 "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Pan paniscus]" 89.25 191 100.00 100.00 6.93e-133 REF XP_003901434 "PREDICTED: calcium and integrin-binding protein 1 isoform X4 [Papio anubis]" 89.25 191 97.91 98.43 8.26e-130 SP Q99828 "RecName: Full=Calcium and integrin-binding protein 1; Short=CIB; AltName: Full=Calcium- and integrin-binding protein; Short=CIB" 89.25 191 100.00 100.00 6.93e-133 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _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 _Strain $CIB1 Human 9606 Eukaryota Metazoa Homo sapiens E.coli 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 $CIB1 'recombinant technology' . Escherichia coli BL21 pET19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CIB1_for_backbone_RDC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium cloride' 4 mM 'natural abundance' DTT 10 mM 'natural abundance' 'Pf1 phage' 12 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_CIB1_with_I_L_V_methyl_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM 'I/L/V methyl 13C and 1H, [U,2H]' HEPES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 4 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_CIB1_for_backbone_assignment _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium cloride' 4 mM 'natural abundance' DTT 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_CIB1_for_methyl_assignment _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIB1 0.5 mM '[U-13C; U-2H]-I/L/V methyl' HEPES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium cloride' 4 mM 'natural abundance' DTT 10 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.18 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_IPAP_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $CIB1_for_backbone_RDC save_ save_3D_HNCO_type_for_CaCO_and_C'N_RDC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO type for CaCO and C'N RDC' _Sample_label $CIB1_for_backbone_RDC save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CIB1_with_I_L_V_methyl_labeled save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CIB1_with_I_L_V_methyl_labeled save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CIB1_for_backbone_assignment save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $CIB1_for_backbone_assignment save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $CIB1_for_backbone_assignment save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CIB1_for_backbone_assignment save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CIB1_for_methyl_assignment save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $CIB1_for_backbone_assignment $CIB1_for_methyl_assignment stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 7 30 ARG C C 175.770 0.2 1 2 7 30 ARG CA C 54.783 0.2 1 3 7 30 ARG CB C 31.143 0.2 1 4 8 31 LEU H H 7.986 0.01 1 5 8 31 LEU HD1 H 0.642 0.01 4 6 8 31 LEU HD2 H 0.276 0.01 4 7 8 31 LEU C C 176.033 0.2 1 8 8 31 LEU CA C 55.169 0.2 1 9 8 31 LEU CB C 41.846 0.2 1 10 8 31 LEU CD1 C 23.977 0.2 2 11 8 31 LEU CD2 C 21.376 0.2 2 12 8 31 LEU N N 121.885 0.1 1 13 9 32 SER H H 7.686 0.01 1 14 9 32 SER C C 174.555 0.2 1 15 9 32 SER CA C 57.117 0.2 1 16 9 32 SER CB C 64.851 0.2 1 17 9 32 SER N N 117.135 0.1 1 18 10 33 LYS C C 178.890 0.2 1 19 10 33 LYS CA C 58.947 0.2 1 20 10 33 LYS CB C 31.222 0.2 1 21 11 34 GLU H H 8.823 0.01 1 22 11 34 GLU C C 178.936 0.2 1 23 11 34 GLU CA C 59.551 0.2 1 24 11 34 GLU CB C 27.963 0.2 1 25 11 34 GLU N N 120.252 0.1 1 26 12 35 LEU H H 7.642 0.01 1 27 12 35 LEU HD1 H 0.793 0.01 4 28 12 35 LEU HD2 H 0.818 0.01 4 29 12 35 LEU C C 178.598 0.2 1 30 12 35 LEU CA C 57.047 0.2 1 31 12 35 LEU CB C 41.071 0.2 1 32 12 35 LEU CD1 C 23.105 0.2 2 33 12 35 LEU CD2 C 22.200 0.2 2 34 12 35 LEU N N 122.924 0.1 1 35 13 36 LEU H H 8.309 0.01 1 36 13 36 LEU HD1 H 0.875 0.01 4 37 13 36 LEU HD2 H 0.899 0.01 4 38 13 36 LEU C C 178.554 0.2 1 39 13 36 LEU CA C 57.747 0.2 1 40 13 36 LEU CB C 41.098 0.2 1 41 13 36 LEU CD1 C 23.393 0.2 2 42 13 36 LEU CD2 C 22.561 0.2 2 43 13 36 LEU N N 118.619 0.1 1 44 14 37 ALA H H 7.708 0.01 1 45 14 37 ALA C C 179.931 0.2 1 46 14 37 ALA CA C 54.566 0.2 1 47 14 37 ALA CB C 17.370 0.2 1 48 14 37 ALA N N 120.252 0.1 1 49 15 38 GLU H H 7.529 0.01 1 50 15 38 GLU C C 179.317 0.2 1 51 15 38 GLU CA C 58.691 0.2 1 52 15 38 GLU CB C 28.457 0.2 1 53 15 38 GLU N N 119.658 0.1 1 54 16 39 TYR H H 8.232 0.01 1 55 16 39 TYR C C 179.056 0.2 1 56 16 39 TYR CA C 59.999 0.2 1 57 16 39 TYR CB C 37.399 0.2 1 58 16 39 TYR N N 117.135 0.1 1 59 17 40 GLN H H 8.389 0.01 1 60 17 40 GLN C C 176.879 0.2 1 61 17 40 GLN CA C 58.992 0.2 1 62 17 40 GLN CB C 28.670 0.2 1 63 17 40 GLN N N 122.033 0.1 1 64 18 41 ASP H H 7.501 0.01 1 65 18 41 ASP C C 177.530 0.2 1 66 18 41 ASP CA C 55.974 0.2 1 67 18 41 ASP CB C 40.557 0.2 1 68 18 41 ASP N N 118.025 0.1 1 69 19 42 LEU H H 7.462 0.01 1 70 19 42 LEU HD1 H 0.882 0.01 4 71 19 42 LEU HD2 H 0.848 0.01 4 72 19 42 LEU C C 177.009 0.2 1 73 19 42 LEU CA C 55.572 0.2 1 74 19 42 LEU CB C 43.136 0.2 1 75 19 42 LEU CD1 C 23.417 0.2 2 76 19 42 LEU CD2 C 20.921 0.2 2 77 19 42 LEU N N 117.729 0.1 1 78 20 43 THR H H 7.360 0.01 1 79 20 43 THR C C 173.187 0.2 1 80 20 43 THR CA C 60.200 0.2 1 81 20 43 THR CB C 72.191 0.2 1 82 20 43 THR N N 109.416 0.1 1 83 21 44 PHE H H 8.133 0.01 1 84 21 44 PHE C C 175.576 0.2 1 85 21 44 PHE CA C 57.406 0.2 1 86 21 44 PHE CB C 37.161 0.2 1 87 21 44 PHE N N 117.283 0.1 1 88 22 45 LEU H H 7.411 0.01 1 89 22 45 LEU HD1 H 0.711 0.01 4 90 22 45 LEU HD2 H 0.756 0.01 4 91 22 45 LEU C C 177.158 0.2 1 92 22 45 LEU CA C 53.862 0.2 1 93 22 45 LEU CB C 43.198 0.2 1 94 22 45 LEU CD1 C 24.632 0.2 2 95 22 45 LEU CD2 C 20.442 0.2 2 96 22 45 LEU N N 119.658 0.1 1 97 23 46 THR H H 8.893 0.01 1 98 23 46 THR C C 175.911 0.2 1 99 23 46 THR CA C 60.401 0.2 1 100 23 46 THR CB C 71.245 0.2 1 101 23 46 THR N N 111.494 0.1 1 102 24 47 LYS H H 8.594 0.01 1 103 24 47 LYS C C 178.014 0.2 1 104 24 47 LYS CA C 60.401 0.2 1 105 24 47 LYS CB C 31.326 0.2 1 106 24 47 LYS N N 120.252 0.1 1 107 25 48 GLN H H 8.366 0.01 1 108 25 48 GLN C C 178.982 0.2 1 109 25 48 GLN CA C 59.093 0.2 1 110 25 48 GLN CB C 27.352 0.2 1 111 25 48 GLN N N 116.393 0.1 1 112 26 49 GLU H H 7.684 0.01 1 113 26 49 GLU C C 179.335 0.2 1 114 26 49 GLU CA C 59.194 0.2 1 115 26 49 GLU CB C 30.226 0.2 1 116 26 49 GLU N N 120.104 0.1 1 117 27 50 ILE H H 8.283 0.01 1 118 27 50 ILE HD1 H 0.828 0.01 1 119 27 50 ILE C C 177.623 0.2 1 120 27 50 ILE CA C 65.331 0.2 1 121 27 50 ILE CB C 37.173 0.2 1 122 27 50 ILE CD1 C 11.388 0.2 1 123 27 50 ILE N N 122.627 0.1 1 124 28 51 LEU H H 8.155 0.01 1 125 28 51 LEU HD1 H 0.957 0.01 4 126 28 51 LEU HD2 H 1.030 0.01 4 127 28 51 LEU C C 180.471 0.2 1 128 28 51 LEU CA C 58.087 0.2 1 129 28 51 LEU CB C 40.834 0.2 1 130 28 51 LEU CD1 C 23.737 0.2 2 131 28 51 LEU CD2 C 22.072 0.2 2 132 28 51 LEU N N 120.400 0.1 1 133 29 52 LEU H H 8.026 0.01 1 134 29 52 LEU HD1 H 0.982 0.01 4 135 29 52 LEU HD2 H 0.951 0.01 4 136 29 52 LEU C C 178.665 0.2 1 137 29 52 LEU CA C 57.685 0.2 1 138 29 52 LEU CB C 40.732 0.2 1 139 29 52 LEU CD1 C 21.882 0.2 2 140 29 52 LEU CD2 C 23.066 0.2 2 141 29 52 LEU N N 122.033 0.1 1 142 30 53 ALA H H 8.441 0.01 1 143 30 53 ALA C C 179.671 0.2 1 144 30 53 ALA CA C 55.069 0.2 1 145 30 53 ALA CB C 17.958 0.2 1 146 30 53 ALA N N 122.330 0.1 1 147 31 54 HIS H H 8.814 0.01 1 148 31 54 HIS C C 177.400 0.2 1 149 31 54 HIS CA C 61.809 0.2 1 150 31 54 HIS CB C 30.699 0.2 1 151 31 54 HIS N N 118.471 0.1 1 152 32 55 ARG H H 8.043 0.01 1 153 32 55 ARG C C 179.298 0.2 1 154 32 55 ARG CA C 59.624 0.2 1 155 32 55 ARG CB C 29.032 0.2 1 156 32 55 ARG N N 120.994 0.1 1 157 33 56 ARG H H 8.380 0.01 1 158 33 56 ARG C C 178.544 0.2 1 159 33 56 ARG CA C 57.496 0.2 1 160 33 56 ARG CB C 28.628 0.2 1 161 33 56 ARG N N 117.877 0.1 1 162 34 57 PHE H H 8.730 0.01 1 163 34 57 PHE C C 177.354 0.2 1 164 34 57 PHE CA C 61.467 0.2 1 165 34 57 PHE CB C 39.728 0.2 1 166 34 57 PHE N N 120.994 0.1 1 167 35 58 CYS H H 8.212 0.01 1 168 35 58 CYS C C 176.900 0.2 1 169 35 58 CYS CA C 63.812 0.2 1 170 35 58 CYS CB C 26.632 0.2 1 171 35 58 CYS N N 114.166 0.1 1 172 36 59 GLU H H 7.281 0.01 1 173 36 59 GLU C C 177.241 0.2 1 174 36 59 GLU CA C 57.986 0.2 1 175 36 59 GLU CB C 28.689 0.2 1 176 36 59 GLU N N 117.135 0.1 1 177 37 60 LEU H H 7.241 0.01 1 178 37 60 LEU HD1 H 0.567 0.01 4 179 37 60 LEU HD2 H 0.692 0.01 4 180 37 60 LEU C C 176.735 0.2 1 181 37 60 LEU CA C 54.157 0.2 1 182 37 60 LEU CB C 40.800 0.2 1 183 37 60 LEU CD1 C 24.125 0.2 2 184 37 60 LEU CD2 C 19.858 0.2 2 185 37 60 LEU N N 116.541 0.1 1 186 38 61 LEU H H 7.126 0.01 1 187 38 61 LEU HD1 H 0.757 0.01 4 188 38 61 LEU HD2 H 0.493 0.01 4 189 38 61 LEU C C 174.721 0.2 1 190 38 61 LEU CA C 51.731 0.2 1 191 38 61 LEU CB C 40.668 0.2 1 192 38 61 LEU CD1 C 24.307 0.2 2 193 38 61 LEU CD2 C 21.536 0.2 2 194 38 61 LEU N N 119.658 0.1 1 195 40 63 GLN C C 177.686 0.2 1 196 41 64 GLU H H 9.353 0.01 1 197 41 64 GLU C C 177.232 0.2 1 198 41 64 GLU CA C 58.525 0.2 1 199 41 64 GLU CB C 27.782 0.2 1 200 41 64 GLU N N 117.135 0.1 1 201 42 65 GLN H H 8.045 0.01 1 202 42 65 GLN C C 174.072 0.2 1 203 42 65 GLN CA C 54.863 0.2 1 204 42 65 GLN CB C 29.256 0.2 1 205 42 65 GLN N N 119.213 0.1 1 206 43 66 ARG H H 7.069 0.01 1 207 43 66 ARG C C 176.160 0.2 1 208 43 66 ARG CA C 57.094 0.2 1 209 43 66 ARG CB C 29.214 0.2 1 210 43 66 ARG N N 115.354 0.1 1 211 44 67 SER H H 7.664 0.01 1 212 44 67 SER C C 175.383 0.2 1 213 44 67 SER CA C 57.508 0.2 1 214 44 67 SER CB C 63.926 0.2 1 215 44 67 SER N N 114.760 0.1 1 216 45 68 VAL HG1 H 0.841 0.01 4 217 45 68 VAL HG2 H 0.913 0.01 4 218 45 68 VAL C C 178.236 0.2 1 219 45 68 VAL CA C 67.711 0.2 1 220 45 68 VAL CB C 30.496 0.2 1 221 45 68 VAL CG1 C 19.262 0.2 2 222 45 68 VAL CG2 C 20.948 0.2 2 223 46 69 GLU H H 8.933 0.01 1 224 46 69 GLU C C 179.155 0.2 1 225 46 69 GLU CA C 59.768 0.2 1 226 46 69 GLU CB C 28.309 0.2 1 227 46 69 GLU N N 118.471 0.1 1 228 47 70 SER H H 7.623 0.01 1 229 47 70 SER C C 178.238 0.2 1 230 47 70 SER CA C 60.703 0.2 1 231 47 70 SER CB C 62.715 0.2 1 232 47 70 SER N N 114.314 0.1 1 233 48 71 SER H H 8.851 0.01 1 234 48 71 SER C C 176.036 0.2 1 235 48 71 SER CA C 61.672 0.2 1 236 48 71 SER CB C 63.586 0.2 1 237 48 71 SER N N 121.438 0.1 1 238 49 72 LEU H H 7.260 0.01 1 239 49 72 LEU HD1 H 0.868 0.01 4 240 49 72 LEU HD2 H 0.810 0.01 4 241 49 72 LEU C C 177.317 0.2 1 242 49 72 LEU CA C 56.171 0.2 1 243 49 72 LEU CB C 40.298 0.2 1 244 49 72 LEU CD1 C 23.706 0.2 2 245 49 72 LEU CD2 C 20.714 0.2 2 246 49 72 LEU N N 120.994 0.1 1 247 50 73 ARG H H 7.414 0.01 1 248 50 73 ARG C C 175.925 0.2 1 249 50 73 ARG CA C 54.777 0.2 1 250 50 73 ARG CB C 30.706 0.2 1 251 50 73 ARG N N 116.541 0.1 1 252 51 74 ALA H H 7.267 0.01 1 253 51 74 ALA C C 176.795 0.2 1 254 51 74 ALA CA C 52.333 0.2 1 255 51 74 ALA CB C 20.923 0.2 1 256 51 74 ALA N N 123.963 0.1 1 257 52 75 GLN H H 8.344 0.01 1 258 52 75 GLN C C 175.459 0.2 1 259 52 75 GLN CA C 53.723 0.2 1 260 52 75 GLN CB C 30.087 0.2 1 261 52 75 GLN N N 118.619 0.1 1 262 53 76 VAL H H 9.089 0.01 1 263 53 76 VAL HG1 H 0.903 0.01 4 264 53 76 VAL HG2 H 0.448 0.01 4 265 53 76 VAL C C 173.628 0.2 1 266 53 76 VAL CA C 58.886 0.2 1 267 53 76 VAL CB C 32.878 0.2 1 268 53 76 VAL CG1 C 19.941 0.2 2 269 53 76 VAL CG2 C 21.347 0.2 2 270 53 76 VAL N N 125.447 0.1 1 271 54 77 PRO C C 178.126 0.2 1 272 54 77 PRO CA C 62.181 0.2 1 273 54 77 PRO CB C 32.285 0.2 1 274 55 78 PHE H H 7.944 0.01 1 275 55 78 PHE C C 177.065 0.2 1 276 55 78 PHE CA C 58.057 0.2 1 277 55 78 PHE CB C 36.432 0.2 1 278 55 78 PHE N N 121.440 0.1 1 279 56 79 GLU H H 9.287 0.01 1 280 56 79 GLU C C 178.303 0.2 1 281 56 79 GLU CA C 60.023 0.2 1 282 56 79 GLU CB C 28.349 0.2 1 283 56 79 GLU N N 117.580 0.1 1 284 57 80 GLN H H 7.294 0.01 1 285 57 80 GLN C C 178.219 0.2 1 286 57 80 GLN CA C 57.417 0.2 1 287 57 80 GLN CB C 29.345 0.2 1 288 57 80 GLN N N 115.057 0.1 1 289 58 81 ILE H H 7.408 0.01 1 290 58 81 ILE HD1 H 0.650 0.01 1 291 58 81 ILE C C 177.084 0.2 1 292 58 81 ILE CA C 61.386 0.2 1 293 58 81 ILE CB C 35.487 0.2 1 294 58 81 ILE CD1 C 7.699 0.2 1 295 58 81 ILE N N 121.588 0.1 1 296 59 82 LEU H H 8.269 0.01 1 297 59 82 LEU HD1 H 0.812 0.01 4 298 59 82 LEU HD2 H 0.672 0.01 4 299 59 82 LEU C C 176.395 0.2 1 300 59 82 LEU CA C 56.075 0.2 1 301 59 82 LEU CB C 40.547 0.2 1 302 59 82 LEU CD1 C 23.644 0.2 2 303 59 82 LEU CD2 C 22.277 0.2 2 304 59 82 LEU N N 116.244 0.1 1 305 60 83 SER H H 7.121 0.01 1 306 60 83 SER C C 174.807 0.2 1 307 60 83 SER CA C 58.360 0.2 1 308 60 83 SER CB C 64.035 0.2 1 309 60 83 SER N N 111.197 0.1 1 310 61 84 LEU H H 7.678 0.01 1 311 61 84 LEU HD1 H 1.027 0.01 4 312 61 84 LEU HD2 H 1.017 0.01 4 313 61 84 LEU C C 176.594 0.2 1 314 61 84 LEU CA C 53.501 0.2 1 315 61 84 LEU CB C 39.900 0.2 1 316 61 84 LEU CD1 C 24.063 0.2 2 317 61 84 LEU CD2 C 21.756 0.2 2 318 61 84 LEU N N 125.596 0.1 1 319 62 85 PRO C C 178.403 0.2 1 320 62 85 PRO CA C 65.263 0.2 1 321 62 85 PRO CB C 30.958 0.2 1 322 63 86 GLU H H 10.038 0.01 1 323 63 86 GLU C C 176.518 0.2 1 324 63 86 GLU CA C 59.518 0.2 1 325 63 86 GLU CB C 27.891 0.2 1 326 63 86 GLU N N 116.838 0.1 1 327 64 87 LEU H H 7.411 0.01 1 328 64 87 LEU HD1 H 0.863 0.01 4 329 64 87 LEU HD2 H 0.800 0.01 4 330 64 87 LEU C C 177.955 0.2 1 331 64 87 LEU CA C 54.523 0.2 1 332 64 87 LEU CB C 43.605 0.2 1 333 64 87 LEU CD1 C 23.094 0.2 2 334 64 87 LEU CD2 C 22.694 0.2 2 335 64 87 LEU N N 117.135 0.1 1 336 65 88 LYS H H 7.860 0.01 1 337 65 88 LYS C C 176.796 0.2 1 338 65 88 LYS CA C 59.715 0.2 1 339 65 88 LYS CB C 31.602 0.2 1 340 65 88 LYS N N 119.064 0.1 1 341 66 89 ALA C C 176.956 0.2 1 342 66 89 ALA CA C 51.107 0.2 1 343 66 89 ALA CB C 18.228 0.2 1 344 67 90 ASN H H 7.897 0.01 1 345 67 90 ASN C C 175.586 0.2 1 346 67 90 ASN CA C 51.431 0.2 1 347 67 90 ASN CB C 39.589 0.2 1 348 67 90 ASN N N 122.627 0.1 1 349 68 91 PRO C C 177.277 0.2 1 350 68 91 PRO CA C 63.942 0.2 1 351 68 91 PRO CB C 31.122 0.2 1 352 69 92 PHE H H 8.908 0.01 1 353 69 92 PHE C C 176.716 0.2 1 354 69 92 PHE CA C 56.477 0.2 1 355 69 92 PHE CB C 37.709 0.2 1 356 69 92 PHE N N 117.432 0.1 1 357 70 93 LYS H H 7.649 0.01 1 358 70 93 LYS C C 175.907 0.2 1 359 70 93 LYS CA C 60.099 0.2 1 360 70 93 LYS CB C 30.949 0.2 1 361 70 93 LYS N N 119.213 0.1 1 362 71 94 GLU H H 8.595 0.01 1 363 71 94 GLU C C 178.730 0.2 1 364 71 94 GLU CA C 60.401 0.2 1 365 71 94 GLU CB C 27.978 0.2 1 366 71 94 GLU N N 120.400 0.1 1 367 72 95 ARG H H 7.463 0.01 1 368 72 95 ARG C C 177.858 0.2 1 369 72 95 ARG CA C 56.594 0.2 1 370 72 95 ARG CB C 28.226 0.2 1 371 72 95 ARG N N 119.361 0.1 1 372 73 96 ILE H H 8.348 0.01 1 373 73 96 ILE HD1 H 0.848 0.01 1 374 73 96 ILE C C 177.122 0.2 1 375 73 96 ILE CA C 65.848 0.2 1 376 73 96 ILE CB C 37.302 0.2 1 377 73 96 ILE CD1 C 11.651 0.2 1 378 73 96 ILE N N 118.768 0.1 1 379 74 97 CYS H H 7.261 0.01 1 380 74 97 CYS C C 174.880 0.2 1 381 74 97 CYS CA C 64.919 0.2 1 382 74 97 CYS CB C 24.744 0.2 1 383 74 97 CYS N N 115.502 0.1 1 384 75 98 ARG H H 7.166 0.01 1 385 75 98 ARG C C 178.365 0.2 1 386 75 98 ARG CA C 59.327 0.2 1 387 75 98 ARG CB C 29.241 0.2 1 388 75 98 ARG N N 116.393 0.1 1 389 76 99 VAL H H 8.040 0.01 1 390 76 99 VAL HG1 H 0.448 0.01 4 391 76 99 VAL HG2 H 0.766 0.01 4 392 76 99 VAL C C 176.947 0.2 1 393 76 99 VAL CA C 64.975 0.2 1 394 76 99 VAL CB C 30.930 0.2 1 395 76 99 VAL CG1 C 19.086 0.2 2 396 76 99 VAL CG2 C 21.209 0.2 2 397 76 99 VAL N N 117.135 0.1 1 398 77 100 PHE H H 7.413 0.01 1 399 77 100 PHE C C 175.038 0.2 1 400 77 100 PHE CA C 60.238 0.2 1 401 77 100 PHE CB C 38.855 0.2 1 402 77 100 PHE N N 115.502 0.1 1 403 78 101 SER H H 7.198 0.01 1 404 78 101 SER C C 177.342 0.2 1 405 78 101 SER CA C 58.735 0.2 1 406 78 101 SER CB C 64.154 0.2 1 407 78 101 SER N N 112.533 0.1 1 408 79 102 THR H H 9.211 0.01 1 409 79 102 THR C C 175.739 0.2 1 410 79 102 THR CA C 61.340 0.2 1 411 79 102 THR CB C 68.670 0.2 1 412 79 102 THR N N 120.697 0.1 1 413 80 103 SER H H 8.135 0.01 1 414 80 103 SER C C 175.595 0.2 1 415 80 103 SER CA C 56.050 0.2 1 416 80 103 SER CB C 63.206 0.2 1 417 80 103 SER N N 121.291 0.1 1 418 82 105 ALA C C 177.010 0.2 1 419 82 105 ALA CA C 51.372 0.2 1 420 82 105 ALA CB C 17.954 0.2 1 421 83 106 LYS H H 7.998 0.01 1 422 83 106 LYS C C 175.098 0.2 1 423 83 106 LYS CA C 55.885 0.2 1 424 83 106 LYS CB C 29.418 0.2 1 425 83 106 LYS N N 115.502 0.1 1 426 84 107 ASP H H 7.653 0.01 1 427 84 107 ASP C C 175.873 0.2 1 428 84 107 ASP CA C 52.151 0.2 1 429 84 107 ASP CB C 40.587 0.2 1 430 84 107 ASP N N 112.385 0.1 1 431 85 108 SER H H 7.274 0.01 1 432 85 108 SER C C 172.858 0.2 1 433 85 108 SER CA C 57.087 0.2 1 434 85 108 SER CB C 65.391 0.2 1 435 85 108 SER N N 113.721 0.1 1 436 86 109 LEU H H 9.159 0.01 1 437 86 109 LEU HD1 H 1.099 0.01 4 438 86 109 LEU HD2 H 1.215 0.01 4 439 86 109 LEU C C 176.323 0.2 1 440 86 109 LEU CA C 54.331 0.2 1 441 86 109 LEU CB C 44.225 0.2 1 442 86 109 LEU CD1 C 24.442 0.2 2 443 86 109 LEU CD2 C 22.598 0.2 2 444 86 109 LEU N N 121.440 0.1 1 445 87 110 SER H H 8.388 0.01 1 446 87 110 SER C C 174.728 0.2 1 447 87 110 SER CA C 56.028 0.2 1 448 87 110 SER CB C 65.431 0.2 1 449 87 110 SER N N 118.174 0.1 1 450 88 111 PHE H H 9.912 0.01 1 451 88 111 PHE C C 176.733 0.2 1 452 88 111 PHE CA C 60.523 0.2 1 453 88 111 PHE CB C 37.171 0.2 1 454 88 111 PHE N N 122.775 0.1 1 455 89 112 GLU H H 8.242 0.01 1 456 89 112 GLU C C 178.383 0.2 1 457 89 112 GLU CA C 60.063 0.2 1 458 89 112 GLU CB C 28.097 0.2 1 459 89 112 GLU N N 117.729 0.1 1 460 90 113 ASP H H 7.730 0.01 1 461 90 113 ASP C C 177.536 0.2 1 462 90 113 ASP CA C 57.067 0.2 1 463 90 113 ASP CB C 41.839 0.2 1 464 90 113 ASP N N 121.885 0.1 1 465 91 114 PHE H H 8.082 0.01 1 466 91 114 PHE C C 176.296 0.2 1 467 91 114 PHE CA C 59.699 0.2 1 468 91 114 PHE CB C 39.136 0.2 1 469 91 114 PHE N N 120.994 0.1 1 470 92 115 LEU H H 8.205 0.01 1 471 92 115 LEU HD1 H 0.074 0.01 4 472 92 115 LEU HD2 H 0.319 0.01 4 473 92 115 LEU C C 178.952 0.2 1 474 92 115 LEU CA C 56.966 0.2 1 475 92 115 LEU CB C 40.417 0.2 1 476 92 115 LEU CD1 C 23.928 0.2 2 477 92 115 LEU CD2 C 21.729 0.2 2 478 92 115 LEU N N 117.729 0.1 1 479 93 116 ASP H H 7.648 0.01 1 480 93 116 ASP C C 176.799 0.2 1 481 93 116 ASP CA C 57.411 0.2 1 482 93 116 ASP CB C 39.925 0.2 1 483 93 116 ASP N N 120.252 0.1 1 484 94 117 LEU H H 7.249 0.01 1 485 94 117 LEU HD1 H 0.439 0.01 4 486 94 117 LEU HD2 H 0.395 0.01 4 487 94 117 LEU C C 177.934 0.2 1 488 94 117 LEU CA C 57.514 0.2 1 489 94 117 LEU CB C 40.426 0.2 1 490 94 117 LEU CD1 C 24.238 0.2 2 491 94 117 LEU CD2 C 22.996 0.2 2 492 94 117 LEU N N 121.736 0.1 1 493 95 118 LEU H H 7.495 0.01 1 494 95 118 LEU HD1 H 0.230 0.01 4 495 95 118 LEU HD2 H 0.407 0.01 4 496 95 118 LEU C C 179.547 0.2 1 497 95 118 LEU CA C 56.578 0.2 1 498 95 118 LEU CB C 40.871 0.2 1 499 95 118 LEU CD1 C 24.379 0.2 2 500 95 118 LEU CD2 C 19.685 0.2 2 501 95 118 LEU N N 117.135 0.1 1 502 96 119 SER H H 8.381 0.01 1 503 96 119 SER C C 177.576 0.2 1 504 96 119 SER CA C 61.134 0.2 1 505 96 119 SER CB C 63.595 0.2 1 506 96 119 SER N N 114.611 0.1 1 507 97 120 VAL HG1 H 0.473 0.01 4 508 97 120 VAL HG2 H 0.546 0.01 4 509 97 120 VAL CG1 C 19.396 0.2 2 510 97 120 VAL CG2 C 20.719 0.2 2 511 98 121 PHE C C 175.510 0.2 1 512 98 121 PHE CA C 57.237 0.2 1 513 98 121 PHE CB C 37.634 0.2 1 514 99 122 SER H H 7.374 0.01 1 515 99 122 SER C C 176.038 0.2 1 516 99 122 SER CA C 58.422 0.2 1 517 99 122 SER CB C 64.092 0.2 1 518 99 122 SER N N 116.096 0.1 1 519 100 123 ASP C C 177.506 0.2 1 520 100 123 ASP CA C 56.438 0.2 1 521 100 123 ASP CB C 40.206 0.2 1 522 101 124 THR H H 8.024 0.01 1 523 101 124 THR C C 174.293 0.2 1 524 101 124 THR CA C 61.788 0.2 1 525 101 124 THR CB C 68.658 0.2 1 526 101 124 THR N N 110.158 0.1 1 527 102 125 ALA H H 6.847 0.01 1 528 102 125 ALA C C 177.387 0.2 1 529 102 125 ALA CA C 51.839 0.2 1 530 102 125 ALA CB C 18.915 0.2 1 531 102 125 ALA N N 124.854 0.1 1 532 103 126 THR H H 6.208 0.01 1 533 103 126 THR CA C 59.469 0.2 1 534 103 126 THR CB C 67.803 0.2 1 535 103 126 THR N N 111.939 0.1 1 536 104 127 PRO C C 178.835 0.2 1 537 105 128 ASP H H 8.505 0.01 1 538 105 128 ASP C C 178.206 0.2 1 539 105 128 ASP CA C 56.309 0.2 1 540 105 128 ASP CB C 39.236 0.2 1 541 105 128 ASP N N 116.541 0.1 1 542 106 129 ILE H H 7.554 0.01 1 543 106 129 ILE HD1 H 1.019 0.01 1 544 106 129 ILE C C 177.815 0.2 1 545 106 129 ILE CA C 62.976 0.2 1 546 106 129 ILE CB C 36.962 0.2 1 547 106 129 ILE CD1 C 10.334 0.2 1 548 106 129 ILE N N 123.072 0.1 1 549 107 130 LYS H H 7.821 0.01 1 550 107 130 LYS C C 179.188 0.2 1 551 107 130 LYS CA C 60.227 0.2 1 552 107 130 LYS CB C 32.393 0.2 1 553 107 130 LYS N N 120.252 0.1 1 554 108 131 SER H H 8.506 0.01 1 555 108 131 SER C C 175.697 0.2 1 556 108 131 SER CA C 61.821 0.2 1 557 108 131 SER CB C 63.001 0.2 1 558 108 131 SER N N 113.572 0.1 1 559 109 132 HIS H H 7.709 0.01 1 560 109 132 HIS C C 177.872 0.2 1 561 109 132 HIS CA C 59.475 0.2 1 562 109 132 HIS CB C 29.821 0.2 1 563 109 132 HIS N N 122.479 0.1 1 564 110 133 TYR H H 7.920 0.01 1 565 110 133 TYR C C 177.739 0.2 1 566 110 133 TYR CA C 63.032 0.2 1 567 110 133 TYR CB C 38.068 0.2 1 568 110 133 TYR N N 115.947 0.1 1 569 111 134 ALA H H 8.726 0.01 1 570 111 134 ALA C C 177.454 0.2 1 571 111 134 ALA CA C 55.313 0.2 1 572 111 134 ALA CB C 17.341 0.2 1 573 111 134 ALA N N 122.182 0.1 1 574 112 135 PHE H H 8.021 0.01 1 575 112 135 PHE C C 175.927 0.2 1 576 112 135 PHE CA C 61.868 0.2 1 577 112 135 PHE CB C 38.532 0.2 1 578 112 135 PHE N N 117.580 0.1 1 579 113 136 ARG H H 7.190 0.01 1 580 113 136 ARG C C 179.250 0.2 1 581 113 136 ARG CA C 58.257 0.2 1 582 113 136 ARG CB C 29.067 0.2 1 583 113 136 ARG N N 113.869 0.1 1 584 114 137 ILE H H 7.897 0.01 1 585 114 137 ILE HD1 H 0.566 0.01 1 586 114 137 ILE C C 176.512 0.2 1 587 114 137 ILE CA C 64.828 0.2 1 588 114 137 ILE CB C 36.112 0.2 1 589 114 137 ILE CD1 C 11.938 0.2 1 590 114 137 ILE N N 119.955 0.1 1 591 115 138 PHE H H 7.329 0.01 1 592 115 138 PHE C C 174.845 0.2 1 593 115 138 PHE CA C 58.917 0.2 1 594 115 138 PHE CB C 37.944 0.2 1 595 115 138 PHE N N 114.611 0.1 1 596 116 139 ASP H H 7.242 0.01 1 597 116 139 ASP C C 176.539 0.2 1 598 116 139 ASP CA C 51.749 0.2 1 599 116 139 ASP CB C 37.480 0.2 1 600 116 139 ASP N N 119.955 0.1 1 601 117 140 PHE H H 7.711 0.01 1 602 117 140 PHE C C 176.678 0.2 1 603 117 140 PHE CA C 61.570 0.2 1 604 117 140 PHE CB C 39.078 0.2 1 605 117 140 PHE N N 124.557 0.1 1 606 118 141 ASP H H 8.380 0.01 1 607 118 141 ASP C C 175.511 0.2 1 608 118 141 ASP CA C 52.580 0.2 1 609 118 141 ASP CB C 39.173 0.2 1 610 118 141 ASP N N 114.166 0.1 1 611 119 142 ASP H H 8.053 0.01 1 612 119 142 ASP C C 175.215 0.2 1 613 119 142 ASP CA C 56.000 0.2 1 614 119 142 ASP CB C 39.522 0.2 1 615 119 142 ASP N N 117.877 0.1 1 616 120 143 ASP H H 8.266 0.01 1 617 120 143 ASP C C 178.291 0.2 1 618 120 143 ASP CA C 53.781 0.2 1 619 120 143 ASP CB C 40.744 0.2 1 620 120 143 ASP N N 117.729 0.1 1 621 121 144 GLY H H 10.721 0.01 1 622 121 144 GLY C C 173.544 0.2 1 623 121 144 GLY CA C 45.139 0.2 1 624 121 144 GLY N N 114.314 0.1 1 625 122 145 THR H H 7.936 0.01 1 626 122 145 THR C C 172.705 0.2 1 627 122 145 THR CA C 59.954 0.2 1 628 122 145 THR CB C 72.487 0.2 1 629 122 145 THR N N 111.346 0.1 1 630 123 146 LEU H H 9.660 0.01 1 631 123 146 LEU HD1 H 0.523 0.01 4 632 123 146 LEU HD2 H 0.098 0.01 4 633 123 146 LEU C C 175.684 0.2 1 634 123 146 LEU CA C 52.928 0.2 1 635 123 146 LEU CB C 39.774 0.2 1 636 123 146 LEU CD1 C 24.558 0.2 2 637 123 146 LEU CD2 C 19.591 0.2 2 638 123 146 LEU N N 126.338 0.1 1 639 124 147 ASN H H 8.003 0.01 1 640 124 147 ASN C C 175.201 0.2 1 641 124 147 ASN CA C 50.477 0.2 1 642 124 147 ASN CB C 37.664 0.2 1 643 124 147 ASN N N 123.221 0.1 1 644 125 148 ARG C C 178.484 0.2 1 645 125 148 ARG CA C 61.227 0.2 1 646 125 148 ARG CB C 29.161 0.2 1 647 126 149 GLU H H 7.700 0.01 1 648 126 149 GLU C C 179.595 0.2 1 649 126 149 GLU CA C 59.476 0.2 1 650 126 149 GLU CB C 28.246 0.2 1 651 126 149 GLU N N 120.549 0.1 1 652 127 150 ASP H H 8.510 0.01 1 653 127 150 ASP C C 180.311 0.2 1 654 127 150 ASP CA C 56.880 0.2 1 655 127 150 ASP CB C 41.255 0.2 1 656 127 150 ASP N N 122.627 0.1 1 657 128 151 LEU H H 8.831 0.01 1 658 128 151 LEU HD1 H 0.767 0.01 4 659 128 151 LEU HD2 H 0.821 0.01 4 660 128 151 LEU C C 178.344 0.2 1 661 128 151 LEU CA C 56.951 0.2 1 662 128 151 LEU CB C 41.343 0.2 1 663 128 151 LEU CD1 C 23.846 0.2 2 664 128 151 LEU CD2 C 21.494 0.2 2 665 128 151 LEU N N 119.064 0.1 1 666 129 152 SER H H 8.139 0.01 1 667 129 152 SER C C 175.830 0.2 1 668 129 152 SER CA C 61.576 0.2 1 669 129 152 SER CB C 62.538 0.2 1 670 129 152 SER N N 116.838 0.1 1 671 130 153 ARG H H 7.162 0.01 1 672 130 153 ARG C C 178.696 0.2 1 673 130 153 ARG CA C 58.748 0.2 1 674 130 153 ARG CB C 29.251 0.2 1 675 130 153 ARG N N 120.697 0.1 1 676 131 154 LEU H H 7.262 0.01 1 677 131 154 LEU HD1 H 0.388 0.01 4 678 131 154 LEU HD2 H 0.615 0.01 4 679 131 154 LEU C C 178.327 0.2 1 680 131 154 LEU CA C 58.188 0.2 1 681 131 154 LEU CB C 40.280 0.2 1 682 131 154 LEU CD1 C 22.484 0.2 2 683 131 154 LEU CD2 C 23.839 0.2 2 684 131 154 LEU N N 121.143 0.1 1 685 132 155 VAL H H 8.404 0.01 1 686 132 155 VAL HG1 H 0.940 0.01 4 687 132 155 VAL HG2 H 0.972 0.01 4 688 132 155 VAL C C 178.615 0.2 1 689 132 155 VAL CA C 66.425 0.2 1 690 132 155 VAL CB C 30.684 0.2 1 691 132 155 VAL CG1 C 20.593 0.2 2 692 132 155 VAL CG2 C 20.805 0.2 2 693 132 155 VAL N N 118.471 0.1 1 694 133 156 ASN H H 7.951 0.01 1 695 133 156 ASN C C 177.249 0.2 1 696 133 156 ASN CA C 55.874 0.2 1 697 133 156 ASN CB C 38.186 0.2 1 698 133 156 ASN N N 119.064 0.1 1 699 134 157 CYS H H 7.887 0.01 1 700 134 157 CYS C C 176.430 0.2 1 701 134 157 CYS CA C 61.797 0.2 1 702 134 157 CYS CB C 27.203 0.2 1 703 134 157 CYS N N 118.471 0.1 1 704 135 158 LEU H H 8.079 0.01 1 705 135 158 LEU HD1 H 0.727 0.01 4 706 135 158 LEU HD2 H 0.777 0.01 4 707 135 158 LEU C C 178.386 0.2 1 708 135 158 LEU CA C 56.384 0.2 1 709 135 158 LEU CB C 41.192 0.2 1 710 135 158 LEU CD1 C 23.443 0.2 2 711 135 158 LEU CD2 C 20.924 0.2 2 712 135 158 LEU N N 118.916 0.1 1 713 136 159 THR H H 7.853 0.01 1 714 136 159 THR C C 175.650 0.2 1 715 136 159 THR CA C 62.312 0.2 1 716 136 159 THR CB C 69.929 0.2 1 717 136 159 THR N N 110.158 0.1 1 718 137 160 GLY H H 7.837 0.01 1 719 137 160 GLY C C 174.199 0.2 1 720 137 160 GLY CA C 45.310 0.2 1 721 137 160 GLY N N 110.900 0.1 1 722 138 161 GLU H H 8.232 0.01 1 723 138 161 GLU C C 176.935 0.2 1 724 138 161 GLU CA C 56.276 0.2 1 725 138 161 GLU CB C 29.608 0.2 1 726 138 161 GLU N N 120.549 0.1 1 727 139 162 GLY H H 8.299 0.01 1 728 139 162 GLY C C 174.321 0.2 1 729 139 162 GLY CA C 44.908 0.2 1 730 139 162 GLY N N 110.158 0.1 1 731 141 164 ASP C C 176.285 0.2 1 732 141 164 ASP CA C 54.413 0.2 1 733 141 164 ASP CB C 40.400 0.2 1 734 142 165 THR H H 7.671 0.01 1 735 142 165 THR C C 174.254 0.2 1 736 142 165 THR CA C 61.608 0.2 1 737 142 165 THR CB C 69.230 0.2 1 738 142 165 THR N N 113.572 0.1 1 739 143 166 ARG H H 8.128 0.01 1 740 143 166 ARG C C 176.366 0.2 1 741 143 166 ARG CA C 55.775 0.2 1 742 143 166 ARG CB C 30.015 0.2 1 743 143 166 ARG N N 123.963 0.1 1 744 144 167 LEU H H 8.325 0.01 1 745 144 167 LEU HD1 H 0.858 0.01 4 746 144 167 LEU HD2 H 0.840 0.01 4 747 144 167 LEU C C 177.578 0.2 1 748 144 167 LEU CA C 54.478 0.2 1 749 144 167 LEU CB C 42.314 0.2 1 750 144 167 LEU CD2 C 21.587 0.2 2 751 144 167 LEU N N 124.111 0.1 1 752 145 168 SER H H 8.975 0.01 1 753 145 168 SER C C 174.679 0.2 1 754 145 168 SER CA C 57.190 0.2 1 755 145 168 SER CB C 64.953 0.2 1 756 145 168 SER N N 119.955 0.1 1 757 147 170 SER C C 177.168 0.2 1 758 147 170 SER CA C 60.488 0.2 1 759 147 170 SER CB C 62.203 0.2 1 760 148 171 GLU H H 7.697 0.01 1 761 148 171 GLU C C 179.261 0.2 1 762 148 171 GLU CA C 58.789 0.2 1 763 148 171 GLU CB C 29.622 0.2 1 764 148 171 GLU N N 124.854 0.1 1 765 149 172 MET H H 8.593 0.01 1 766 149 172 MET C C 177.139 0.2 1 767 149 172 MET CA C 57.886 0.2 1 768 149 172 MET CB C 31.225 0.2 1 769 149 172 MET N N 120.400 0.1 1 770 150 173 LYS H H 7.784 0.01 1 771 150 173 LYS C C 177.940 0.2 1 772 150 173 LYS CA C 59.596 0.2 1 773 150 173 LYS CB C 31.329 0.2 1 774 150 173 LYS N N 119.213 0.1 1 775 151 174 GLN H H 7.498 0.01 1 776 151 174 GLN C C 178.126 0.2 1 777 151 174 GLN CA C 58.288 0.2 1 778 151 174 GLN CB C 28.121 0.2 1 779 151 174 GLN N N 116.986 0.1 1 780 152 175 LEU H H 7.876 0.01 1 781 152 175 LEU HD1 H 0.947 0.01 4 782 152 175 LEU HD2 H 0.918 0.01 4 783 152 175 LEU C C 179.689 0.2 1 784 152 175 LEU CA C 58.087 0.2 1 785 152 175 LEU CB C 40.930 0.2 1 786 152 175 LEU CD1 C 23.449 0.2 2 787 152 175 LEU CD2 C 22.545 0.2 2 788 152 175 LEU N N 120.697 0.1 1 789 153 176 ILE H H 8.214 0.01 1 790 153 176 ILE HD1 H 0.715 0.01 1 791 153 176 ILE C C 177.660 0.2 1 792 153 176 ILE CA C 65.230 0.2 1 793 153 176 ILE CB C 37.039 0.2 1 794 153 176 ILE CD1 C 11.574 0.2 1 795 153 176 ILE N N 120.252 0.1 1 796 154 177 ASP H H 8.671 0.01 1 797 154 177 ASP C C 179.522 0.2 1 798 154 177 ASP CA C 57.483 0.2 1 799 154 177 ASP CB C 38.930 0.2 1 800 154 177 ASP N N 120.549 0.1 1 801 155 178 ASN H H 8.198 0.01 1 802 155 178 ASN C C 177.586 0.2 1 803 155 178 ASN CA C 56.075 0.2 1 804 155 178 ASN CB C 38.006 0.2 1 805 155 178 ASN N N 119.658 0.1 1 806 156 179 ILE H H 8.023 0.01 1 807 156 179 ILE HD1 H 0.666 0.01 1 808 156 179 ILE C C 178.684 0.2 1 809 156 179 ILE CA C 65.029 0.2 1 810 156 179 ILE CB C 37.015 0.2 1 811 156 179 ILE CD1 C 11.986 0.2 1 812 156 179 ILE N N 122.479 0.1 1 813 157 180 LEU H H 8.173 0.01 1 814 157 180 LEU HD1 H 0.853 0.01 4 815 157 180 LEU HD2 H 0.640 0.01 4 816 157 180 LEU C C 179.261 0.2 1 817 157 180 LEU CA C 57.483 0.2 1 818 157 180 LEU CB C 40.246 0.2 1 819 157 180 LEU CD1 C 24.593 0.2 2 820 157 180 LEU CD2 C 20.563 0.2 2 821 157 180 LEU N N 120.104 0.1 1 822 158 181 GLU H H 8.440 0.01 1 823 158 181 GLU C C 178.833 0.2 1 824 158 181 GLU CA C 59.194 0.2 1 825 158 181 GLU CB C 28.803 0.2 1 826 158 181 GLU N N 120.846 0.1 1 827 159 182 GLU H H 7.722 0.01 1 828 159 182 GLU C C 178.982 0.2 1 829 159 182 GLU CA C 57.886 0.2 1 830 159 182 GLU CB C 30.406 0.2 1 831 159 182 GLU N N 115.057 0.1 1 832 160 183 SER H H 8.127 0.01 1 833 160 183 SER C C 174.198 0.2 1 834 160 183 SER CA C 59.596 0.2 1 835 160 183 SER CB C 64.941 0.2 1 836 160 183 SER N N 111.049 0.1 1 837 161 184 ASP H H 8.231 0.01 1 838 161 184 ASP C C 177.456 0.2 1 839 161 184 ASP CA C 52.453 0.2 1 840 161 184 ASP CB C 37.053 0.2 1 841 161 184 ASP N N 120.697 0.1 1 842 162 185 ILE H H 7.847 0.01 1 843 162 185 ILE HD1 H 0.777 0.01 1 844 162 185 ILE C C 177.865 0.2 1 845 162 185 ILE CA C 63.218 0.2 1 846 162 185 ILE CB C 37.072 0.2 1 847 162 185 ILE CD1 C 9.715 0.2 1 848 162 185 ILE N N 126.338 0.1 1 849 163 186 ASP H H 8.117 0.01 1 850 163 186 ASP C C 175.911 0.2 1 851 163 186 ASP CA C 53.157 0.2 1 852 163 186 ASP CB C 38.554 0.2 1 853 163 186 ASP N N 117.135 0.1 1 854 164 187 ARG H H 7.616 0.01 1 855 164 187 ARG C C 175.911 0.2 1 856 164 187 ARG CA C 56.175 0.2 1 857 164 187 ARG CB C 25.609 0.2 1 858 164 187 ARG N N 115.502 0.1 1 859 165 188 ASP H H 8.594 0.01 1 860 165 188 ASP C C 177.716 0.2 1 861 165 188 ASP CA C 53.459 0.2 1 862 165 188 ASP CB C 40.471 0.2 1 863 165 188 ASP N N 120.400 0.1 1 864 166 189 GLY H H 10.509 0.01 1 865 166 189 GLY C C 173.175 0.2 1 866 166 189 GLY CA C 45.109 0.2 1 867 166 189 GLY N N 114.463 0.1 1 868 167 190 THR H H 8.125 0.01 1 869 167 190 THR C C 173.622 0.2 1 870 167 190 THR CA C 59.294 0.2 1 871 167 190 THR CB C 72.051 0.2 1 872 167 190 THR N N 110.752 0.1 1 873 168 191 ILE H H 8.916 0.01 1 874 168 191 ILE HD1 H 0.702 0.01 1 875 168 191 ILE C C 175.352 0.2 1 876 168 191 ILE CA C 56.578 0.2 1 877 168 191 ILE CB C 37.405 0.2 1 878 168 191 ILE CD1 C 8.393 0.2 1 879 168 191 ILE N N 125.002 0.1 1 880 169 192 ASN H H 9.065 0.01 1 881 169 192 ASN C C 175.148 0.2 1 882 169 192 ASN CA C 51.246 0.2 1 883 169 192 ASN CB C 37.550 0.2 1 884 169 192 ASN N N 109.861 0.1 1 885 170 193 LEU H H 8.105 0.01 1 886 170 193 LEU HD1 H 0.445 0.01 4 887 170 193 LEU HD2 H 0.524 0.01 4 888 170 193 LEU C C 178.442 0.2 1 889 170 193 LEU CA C 58.791 0.2 1 890 170 193 LEU CB C 40.208 0.2 1 891 170 193 LEU CD1 C 21.233 0.2 2 892 170 193 LEU CD2 C 23.482 0.2 2 893 170 193 LEU N N 119.955 0.1 1 894 171 194 SER H H 7.780 0.01 1 895 171 194 SER C C 178.330 0.2 1 896 171 194 SER CA C 61.105 0.2 1 897 171 194 SER CB C 62.374 0.2 1 898 171 194 SER N N 114.463 0.1 1 899 172 195 GLU H H 8.540 0.01 1 900 172 195 GLU C C 179.335 0.2 1 901 172 195 GLU CA C 58.188 0.2 1 902 172 195 GLU CB C 28.902 0.2 1 903 172 195 GLU N N 123.963 0.1 1 904 173 196 PHE H H 9.168 0.01 1 905 173 196 PHE C C 176.488 0.2 1 906 173 196 PHE CA C 60.502 0.2 1 907 173 196 PHE CB C 39.190 0.2 1 908 173 196 PHE N N 122.627 0.1 1 909 174 197 GLN H H 7.931 0.01 1 910 174 197 GLN C C 178.461 0.2 1 911 174 197 GLN CA C 58.489 0.2 1 912 174 197 GLN CB C 27.088 0.2 1 913 174 197 GLN N N 116.244 0.1 1 914 175 198 HIS H H 7.511 0.01 1 915 175 198 HIS C C 178.330 0.2 1 916 175 198 HIS CA C 59.596 0.2 1 917 175 198 HIS CB C 30.171 0.2 1 918 175 198 HIS N N 119.510 0.1 1 919 176 199 VAL H H 7.862 0.01 1 920 176 199 VAL HG1 H 0.748 0.01 4 921 176 199 VAL HG2 H 1.154 0.01 4 922 176 199 VAL C C 178.647 0.2 1 923 176 199 VAL CA C 65.633 0.2 1 924 176 199 VAL CB C 30.581 0.2 1 925 176 199 VAL CG1 C 19.057 0.2 2 926 176 199 VAL CG2 C 21.544 0.2 2 927 176 199 VAL N N 121.588 0.1 1 928 177 200 ILE H H 7.600 0.01 1 929 177 200 ILE HD1 H 0.419 0.01 1 930 177 200 ILE C C 177.698 0.2 1 931 177 200 ILE CA C 62.413 0.2 1 932 177 200 ILE CB C 35.999 0.2 1 933 177 200 ILE CD1 C 10.861 0.2 1 934 177 200 ILE N N 114.166 0.1 1 935 178 201 SER H H 7.372 0.01 1 936 178 201 SER C C 175.371 0.2 1 937 178 201 SER CA C 60.502 0.2 1 938 178 201 SER CB C 62.999 0.2 1 939 178 201 SER N N 116.689 0.1 1 940 179 202 ARG H H 7.263 0.01 1 941 179 202 ARG C C 176.060 0.2 1 942 179 202 ARG CA C 56.075 0.2 1 943 179 202 ARG CB C 29.548 0.2 1 944 179 202 ARG N N 119.510 0.1 1 945 180 203 SER H H 7.533 0.01 1 946 180 203 SER C C 172.457 0.2 1 947 180 203 SER CA C 55.371 0.2 1 948 180 203 SER CB C 63.562 0.2 1 949 180 203 SER N N 115.502 0.1 1 950 182 205 ASP C C 177.747 0.2 1 951 182 205 ASP CA C 54.756 0.2 1 952 182 205 ASP CB C 39.987 0.2 1 953 183 206 PHE H H 7.897 0.01 1 954 183 206 PHE C C 176.329 0.2 1 955 183 206 PHE CA C 59.744 0.2 1 956 183 206 PHE CB C 38.120 0.2 1 957 183 206 PHE N N 120.697 0.1 1 958 184 207 ALA H H 7.938 0.01 1 959 184 207 ALA C C 178.777 0.2 1 960 184 207 ALA CA C 53.250 0.2 1 961 184 207 ALA CB C 17.546 0.2 1 962 184 207 ALA N N 121.440 0.1 1 963 185 208 SER H H 7.799 0.01 1 964 185 208 SER C C 176.127 0.2 1 965 185 208 SER CA C 60.512 0.2 1 966 185 208 SER CB C 62.609 0.2 1 967 185 208 SER N N 114.018 0.1 1 968 186 209 SER H H 7.743 0.01 1 969 186 209 SER C C 173.971 0.2 1 970 186 209 SER CA C 60.373 0.2 1 971 186 209 SER CB C 63.024 0.2 1 972 186 209 SER N N 116.689 0.1 1 973 187 210 PHE H H 7.237 0.01 1 974 187 210 PHE C C 173.690 0.2 1 975 187 210 PHE CA C 55.943 0.2 1 976 187 210 PHE CB C 37.586 0.2 1 977 187 210 PHE N N 119.213 0.1 1 978 188 211 LYS H H 7.079 0.01 1 979 188 211 LYS C C 175.599 0.2 1 980 188 211 LYS CA C 56.075 0.2 1 981 188 211 LYS CB C 32.242 0.2 1 982 188 211 LYS N N 119.361 0.1 1 983 189 212 ILE HD1 H 0.699 0.01 1 984 189 212 ILE C C 174.428 0.2 1 985 189 212 ILE CA C 60.284 0.2 1 986 189 212 ILE CB C 38.191 0.2 1 987 189 212 ILE CD1 C 10.669 0.2 1 988 190 213 VAL H H 8.001 0.01 1 989 190 213 VAL HG1 H 0.971 0.01 4 990 190 213 VAL HG2 H 0.929 0.01 4 991 190 213 VAL C C 174.558 0.2 1 992 190 213 VAL CA C 61.175 0.2 1 993 190 213 VAL CB C 32.744 0.2 1 994 190 213 VAL CG1 C 19.556 0.2 2 995 190 213 VAL CG2 C 18.961 0.2 2 996 190 213 VAL N N 124.557 0.1 1 997 191 214 LEU H H 7.864 0.01 1 998 191 214 LEU HD1 H 0.749 0.01 4 999 191 214 LEU C C 181.671 0.2 1 1000 191 214 LEU CA C 55.709 0.2 1 1001 191 214 LEU CB C 42.163 0.2 1 1002 191 214 LEU CD1 C 20.924 0.2 2 1003 191 214 LEU N N 130.643 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 5 '5,5,6,6,6' '27,27,27,28,28,28' '36,36,36,37,37,37' '70,70,70,71,71,71' '89,89,89,90,90,90' '125,125,125,126,126,126' '134,134,134,135,135,135' '178,178,178,179,179,179' '187,187,187,188,188,188' '216,216,216,217,217,217' '239,239,239,240,240,240' '263,263,263,264,264,264' '297,297,297,298,298,298' '311,311,311,312,312,312' '328,328,328,329,329,329' '390,390,390,391,391,391' '437,437,437,438,438,438' '471,471,471,472,472,472' '485,485,485,486,486,486' '494,494,494,495,495,495' '507,507,507,508,508,508' '631,631,631,632,632,632' '658,658,658,659,659,659' '677,677,677,678,678,678' '686,686,686,687,687,687' '705,705,705,706,706,706' '745,745,745,746,746,746' '781,781,781,782,782,782' '814,814,814,815,815,815' '886,886,886,887,887,887' '920,920,920,921,921,921' '989,989,989,990,990,990' '998,998,998' stop_ save_