data_10255 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal PH domain of ARAP2 protein from human ; _BMRB_accession_number 10255 _BMRB_flat_file_name bmr10255.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 627 "13C chemical shifts" 465 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the N-terminal PH domain of ARAP2 protein from human' _Citation_status 'in preparation' _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ARAP2 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH domain' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGKVKSGWLDKLSPQ GKRMFQKRWVKFDGLSISYY NNEKEMYSKGIIPLSAISTV RVQGDNKFEVVTTQRTFVFR VEKEEERNDWISILLNALKS QSLTSQSQASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 VAL 10 LYS 11 SER 12 GLY 13 TRP 14 LEU 15 ASP 16 LYS 17 LEU 18 SER 19 PRO 20 GLN 21 GLY 22 LYS 23 ARG 24 MET 25 PHE 26 GLN 27 LYS 28 ARG 29 TRP 30 VAL 31 LYS 32 PHE 33 ASP 34 GLY 35 LEU 36 SER 37 ILE 38 SER 39 TYR 40 TYR 41 ASN 42 ASN 43 GLU 44 LYS 45 GLU 46 MET 47 TYR 48 SER 49 LYS 50 GLY 51 ILE 52 ILE 53 PRO 54 LEU 55 SER 56 ALA 57 ILE 58 SER 59 THR 60 VAL 61 ARG 62 VAL 63 GLN 64 GLY 65 ASP 66 ASN 67 LYS 68 PHE 69 GLU 70 VAL 71 VAL 72 THR 73 THR 74 GLN 75 ARG 76 THR 77 PHE 78 VAL 79 PHE 80 ARG 81 VAL 82 GLU 83 LYS 84 GLU 85 GLU 86 GLU 87 ARG 88 ASN 89 ASP 90 TRP 91 ILE 92 SER 93 ILE 94 LEU 95 LEU 96 ASN 97 ALA 98 LEU 99 LYS 100 SER 101 GLN 102 SER 103 LEU 104 THR 105 SER 106 GLN 107 SER 108 GLN 109 ALA 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2COD "Solution Structure Of The N-Terminal Ph Domain Of Arap2 Protein From Human" 100.00 115 100.00 100.00 1.42e-75 DBJ BAA25506 "KIAA0580 protein [Homo sapiens]" 92.17 1631 97.17 98.11 7.29e-61 DBJ BAG10357 "centaurin-delta 1 [synthetic construct]" 92.17 1704 97.17 98.11 6.54e-61 GB AAI50259 "ARAP2 protein, partial [Homo sapiens]" 92.17 1634 97.17 98.11 7.24e-61 GB AAI60097 "ArfGAP with RhoGAP domain, ankyrin repeat and PH domain 2 [synthetic construct]" 92.17 1704 97.17 98.11 6.54e-61 GB AAL12170 "ARAP2 [Homo sapiens]" 92.17 1704 97.17 98.11 6.54e-61 GB EAW92870 "centaurin, delta 1, isoform CRA_a [Homo sapiens]" 92.17 1672 97.17 98.11 7.95e-61 GB EAW92872 "centaurin, delta 1, isoform CRA_c [Homo sapiens]" 92.17 1704 97.17 98.11 6.54e-61 REF NP_056045 "arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2 [Homo sapiens]" 92.17 1704 97.17 98.11 6.54e-61 REF XP_001090397 "PREDICTED: arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2 [Macaca mulatta]" 91.30 1450 97.14 97.14 5.71e-60 REF XP_001135477 "PREDICTED: arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2 isoform X1 [Pan troglodytes]" 92.17 1704 97.17 98.11 7.07e-61 REF XP_003832197 "PREDICTED: arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2 isoform X1 [Pan paniscus]" 92.17 1704 97.17 98.11 6.73e-61 REF XP_003898614 "PREDICTED: arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2 isoform X1 [Papio anubis]" 54.78 1184 100.00 100.00 3.22e-31 SP Q8WZ64 "RecName: Full=Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 2; AltName: Full=Centaurin-delta-1; Shor" 92.17 1704 97.17 98.11 6.54e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050125-06 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 $entity_1 0.62 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PH domain' _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 7 GLY H H 9.055 0.030 1 2 7 7 GLY HA2 H 3.908 0.030 2 3 7 7 GLY HA3 H 3.968 0.030 2 4 7 7 GLY C C 173.671 0.300 1 5 7 7 GLY CA C 45.421 0.300 1 6 8 8 LYS H H 8.145 0.030 1 7 8 8 LYS HA H 4.345 0.030 1 8 8 8 LYS HB2 H 1.818 0.030 2 9 8 8 LYS HB3 H 1.679 0.030 2 10 8 8 LYS HD2 H 1.626 0.030 1 11 8 8 LYS HD3 H 1.626 0.030 1 12 8 8 LYS HE2 H 2.925 0.030 1 13 8 8 LYS HE3 H 2.925 0.030 1 14 8 8 LYS HG2 H 1.405 0.030 2 15 8 8 LYS HG3 H 1.345 0.030 2 16 8 8 LYS C C 175.255 0.300 1 17 8 8 LYS CA C 56.330 0.300 1 18 8 8 LYS CB C 33.583 0.300 1 19 8 8 LYS CD C 28.979 0.300 1 20 8 8 LYS CE C 42.297 0.300 1 21 8 8 LYS CG C 25.033 0.300 1 22 8 8 LYS N N 120.101 0.300 1 23 9 9 VAL H H 7.579 0.030 1 24 9 9 VAL HA H 4.473 0.030 1 25 9 9 VAL HB H 2.165 0.030 1 26 9 9 VAL HG1 H 0.676 0.030 1 27 9 9 VAL HG2 H 0.747 0.030 1 28 9 9 VAL C C 174.860 0.300 1 29 9 9 VAL CA C 59.989 0.300 1 30 9 9 VAL CB C 34.218 0.300 1 31 9 9 VAL CG1 C 21.498 0.300 2 32 9 9 VAL CG2 C 19.114 0.300 2 33 9 9 VAL N N 114.437 0.300 1 34 10 10 LYS H H 8.236 0.030 1 35 10 10 LYS HA H 4.345 0.030 1 36 10 10 LYS HB2 H 1.347 0.030 2 37 10 10 LYS HB3 H 0.885 0.030 2 38 10 10 LYS HD2 H -0.187 0.030 2 39 10 10 LYS HD3 H 0.904 0.030 2 40 10 10 LYS HE2 H 1.725 0.030 2 41 10 10 LYS HE3 H 1.675 0.030 2 42 10 10 LYS HG2 H -0.134 0.030 2 43 10 10 LYS HG3 H 0.532 0.030 2 44 10 10 LYS C C 172.963 0.300 1 45 10 10 LYS CA C 56.096 0.300 1 46 10 10 LYS CB C 36.131 0.300 1 47 10 10 LYS CD C 28.256 0.300 1 48 10 10 LYS CE C 41.190 0.300 1 49 10 10 LYS CG C 24.787 0.300 1 50 10 10 LYS N N 122.938 0.300 1 51 11 11 SER H H 8.168 0.030 1 52 11 11 SER HA H 5.669 0.030 1 53 11 11 SER HB2 H 3.425 0.030 2 54 11 11 SER HB3 H 3.578 0.030 2 55 11 11 SER C C 173.281 0.300 1 56 11 11 SER CA C 55.960 0.300 1 57 11 11 SER CB C 66.326 0.300 1 58 11 11 SER N N 119.068 0.300 1 59 12 12 GLY H H 8.248 0.030 1 60 12 12 GLY HA2 H 4.168 0.030 2 61 12 12 GLY HA3 H 3.478 0.030 2 62 12 12 GLY C C 170.778 0.300 1 63 12 12 GLY CA C 45.654 0.300 1 64 12 12 GLY N N 108.756 0.300 1 65 13 13 TRP H H 8.622 0.030 1 66 13 13 TRP HA H 5.398 0.030 1 67 13 13 TRP HB2 H 3.280 0.030 1 68 13 13 TRP HB3 H 3.280 0.030 1 69 13 13 TRP HD1 H 7.695 0.030 1 70 13 13 TRP HE1 H 10.489 0.030 1 71 13 13 TRP HE3 H 7.725 0.030 1 72 13 13 TRP HH2 H 7.428 0.030 1 73 13 13 TRP HZ2 H 7.648 0.030 1 74 13 13 TRP HZ3 H 7.160 0.030 1 75 13 13 TRP C C 177.511 0.300 1 76 13 13 TRP CA C 57.069 0.300 1 77 13 13 TRP CB C 30.295 0.300 1 78 13 13 TRP CD1 C 128.268 0.300 1 79 13 13 TRP CE3 C 120.845 0.300 1 80 13 13 TRP CH2 C 124.211 0.300 1 81 13 13 TRP CZ2 C 115.285 0.300 1 82 13 13 TRP CZ3 C 122.071 0.300 1 83 13 13 TRP N N 119.518 0.300 1 84 13 13 TRP NE1 N 130.364 0.300 1 85 14 14 LEU H H 9.524 0.030 1 86 14 14 LEU HA H 4.791 0.030 1 87 14 14 LEU HB2 H 1.406 0.030 2 88 14 14 LEU HB3 H 1.275 0.030 2 89 14 14 LEU HD1 H -0.636 0.030 1 90 14 14 LEU HD2 H 0.595 0.030 1 91 14 14 LEU HG H 1.187 0.030 1 92 14 14 LEU C C 175.381 0.300 1 93 14 14 LEU CA C 54.096 0.300 1 94 14 14 LEU CB C 47.682 0.300 1 95 14 14 LEU CD1 C 24.147 0.300 2 96 14 14 LEU CD2 C 25.691 0.300 2 97 14 14 LEU CG C 26.802 0.300 1 98 14 14 LEU N N 124.165 0.300 1 99 15 15 ASP H H 8.335 0.030 1 100 15 15 ASP HA H 5.424 0.030 1 101 15 15 ASP HB2 H 2.607 0.030 2 102 15 15 ASP HB3 H 2.331 0.030 2 103 15 15 ASP C C 175.302 0.300 1 104 15 15 ASP CA C 53.252 0.300 1 105 15 15 ASP CB C 42.420 0.300 1 106 15 15 ASP N N 120.275 0.300 1 107 16 16 LYS H H 9.444 0.030 1 108 16 16 LYS HA H 4.781 0.030 1 109 16 16 LYS HB2 H 1.130 0.030 2 110 16 16 LYS HB3 H 1.641 0.030 2 111 16 16 LYS HD2 H 0.898 0.030 2 112 16 16 LYS HD3 H 0.635 0.030 2 113 16 16 LYS HE2 H 2.395 0.030 2 114 16 16 LYS HE3 H 2.626 0.030 2 115 16 16 LYS HG2 H 0.450 0.030 2 116 16 16 LYS HG3 H 0.945 0.030 2 117 16 16 LYS C C 176.244 0.300 1 118 16 16 LYS CA C 54.782 0.300 1 119 16 16 LYS CB C 36.666 0.300 1 120 16 16 LYS CD C 31.035 0.300 1 121 16 16 LYS CE C 41.311 0.300 1 122 16 16 LYS CG C 25.280 0.300 1 123 16 16 LYS N N 125.854 0.300 1 124 17 17 LEU H H 8.387 0.030 1 125 17 17 LEU HA H 3.476 0.030 1 126 17 17 LEU HB2 H 1.597 0.030 2 127 17 17 LEU HB3 H 0.703 0.030 2 128 17 17 LEU HD1 H 0.096 0.030 1 129 17 17 LEU HD2 H 0.577 0.030 1 130 17 17 LEU HG H 1.070 0.030 1 131 17 17 LEU C C 175.840 0.300 1 132 17 17 LEU CA C 55.715 0.300 1 133 17 17 LEU CB C 41.986 0.300 1 134 17 17 LEU CD1 C 22.485 0.300 2 135 17 17 LEU CD2 C 25.609 0.300 2 136 17 17 LEU CG C 26.597 0.300 1 137 17 17 LEU N N 130.736 0.300 1 138 18 18 SER H H 8.378 0.030 1 139 18 18 SER HA H 4.563 0.030 1 140 18 18 SER HB2 H 3.684 0.030 2 141 18 18 SER HB3 H 3.745 0.030 2 142 18 18 SER C C 172.291 0.300 1 143 18 18 SER CA C 55.697 0.300 1 144 18 18 SER CB C 62.885 0.300 1 145 18 18 SER N N 123.037 0.300 1 146 19 19 PRO HA H 4.414 0.030 1 147 19 19 PRO HB2 H 2.168 0.030 2 148 19 19 PRO HB3 H 1.905 0.030 2 149 19 19 PRO HD2 H 3.669 0.030 2 150 19 19 PRO HD3 H 3.537 0.030 2 151 19 19 PRO HG2 H 1.857 0.030 2 152 19 19 PRO HG3 H 1.958 0.030 2 153 19 19 PRO CA C 63.946 0.300 1 154 19 19 PRO CB C 32.128 0.300 1 155 19 19 PRO CD C 50.593 0.300 1 156 19 19 PRO CG C 27.470 0.300 1 157 20 20 GLN H H 8.085 0.030 1 158 20 20 GLN HA H 4.353 0.030 1 159 20 20 GLN HB2 H 1.944 0.030 1 160 20 20 GLN HB3 H 1.944 0.030 1 161 20 20 GLN HG2 H 2.270 0.030 1 162 20 20 GLN HG3 H 2.270 0.030 1 163 20 20 GLN CA C 55.533 0.300 1 164 20 20 GLN CB C 30.130 0.300 1 165 20 20 GLN CG C 33.912 0.300 1 166 20 20 GLN N N 119.721 0.300 1 167 22 22 LYS H H 8.151 0.030 1 168 22 22 LYS HA H 4.165 0.030 1 169 22 22 LYS HB2 H 1.890 0.030 2 170 22 22 LYS HB3 H 1.728 0.030 2 171 22 22 LYS HG2 H 1.394 0.030 1 172 22 22 LYS HG3 H 1.394 0.030 1 173 22 22 LYS C C 176.016 0.300 1 174 22 22 LYS CA C 56.717 0.300 1 175 22 22 LYS CB C 32.303 0.300 1 176 22 22 LYS CD C 29.061 0.300 1 177 22 22 LYS CE C 42.133 0.300 1 178 22 22 LYS CG C 24.951 0.300 1 179 23 23 ARG H H 8.329 0.030 1 180 23 23 ARG HA H 3.937 0.030 1 181 23 23 ARG HB2 H 1.805 0.030 1 182 23 23 ARG HB3 H 1.805 0.030 1 183 23 23 ARG HD2 H 3.164 0.030 1 184 23 23 ARG HD3 H 3.164 0.030 1 185 23 23 ARG HG2 H 1.513 0.030 1 186 23 23 ARG HG3 H 1.513 0.030 1 187 23 23 ARG C C 174.937 0.300 1 188 23 23 ARG CA C 56.436 0.300 1 189 23 23 ARG CB C 29.144 0.300 1 190 23 23 ARG CD C 43.530 0.300 1 191 23 23 ARG CG C 27.253 0.300 1 192 23 23 ARG N N 119.006 0.300 1 193 24 24 MET H H 7.965 0.030 1 194 24 24 MET HA H 4.492 0.030 1 195 24 24 MET HB2 H 1.944 0.030 1 196 24 24 MET HB3 H 1.944 0.030 1 197 24 24 MET C C 174.737 0.300 1 198 24 24 MET CA C 55.134 0.300 1 199 24 24 MET CB C 33.665 0.300 1 200 24 24 MET CG C 31.755 0.300 1 201 24 24 MET N N 120.460 0.300 1 202 25 25 PHE H H 8.593 0.030 1 203 25 25 PHE HA H 4.788 0.030 1 204 25 25 PHE HB2 H 2.827 0.030 2 205 25 25 PHE HB3 H 2.584 0.030 2 206 25 25 PHE HD1 H 6.883 0.030 1 207 25 25 PHE HD2 H 6.883 0.030 1 208 25 25 PHE HE1 H 7.006 0.030 1 209 25 25 PHE HE2 H 7.006 0.030 1 210 25 25 PHE HZ H 7.037 0.030 1 211 25 25 PHE C C 175.712 0.300 1 212 25 25 PHE CA C 57.421 0.300 1 213 25 25 PHE CB C 41.890 0.300 1 214 25 25 PHE CD1 C 131.826 0.300 1 215 25 25 PHE CD2 C 131.826 0.300 1 216 25 25 PHE CE1 C 131.494 0.300 1 217 25 25 PHE CE2 C 131.494 0.300 1 218 25 25 PHE CZ C 129.166 0.300 1 219 25 25 PHE N N 121.330 0.300 1 220 26 26 GLN H H 8.758 0.030 1 221 26 26 GLN HA H 4.777 0.030 1 222 26 26 GLN HB2 H 2.116 0.030 2 223 26 26 GLN HB3 H 1.817 0.030 2 224 26 26 GLN HE21 H 7.625 0.030 2 225 26 26 GLN HE22 H 6.800 0.030 2 226 26 26 GLN HG2 H 2.329 0.030 1 227 26 26 GLN HG3 H 2.329 0.030 1 228 26 26 GLN C C 175.149 0.300 1 229 26 26 GLN CA C 53.991 0.300 1 230 26 26 GLN CB C 32.144 0.300 1 231 26 26 GLN CG C 33.994 0.300 1 232 26 26 GLN N N 119.081 0.300 1 233 26 26 GLN NE2 N 112.741 0.300 1 234 27 27 LYS H H 8.913 0.030 1 235 27 27 LYS HA H 4.933 0.030 1 236 27 27 LYS HB2 H 1.921 0.030 1 237 27 27 LYS HB3 H 1.921 0.030 1 238 27 27 LYS HD2 H 1.517 0.030 2 239 27 27 LYS HD3 H 1.448 0.030 2 240 27 27 LYS HE2 H 2.584 0.030 2 241 27 27 LYS HE3 H 2.518 0.030 2 242 27 27 LYS HG2 H 1.605 0.030 1 243 27 27 LYS HG3 H 1.605 0.030 1 244 27 27 LYS C C 177.786 0.300 1 245 27 27 LYS CA C 57.843 0.300 1 246 27 27 LYS CB C 32.720 0.300 1 247 27 27 LYS CD C 29.061 0.300 1 248 27 27 LYS CE C 41.307 0.300 1 249 27 27 LYS CG C 24.869 0.300 1 250 27 27 LYS N N 126.903 0.300 1 251 28 28 ARG H H 9.847 0.030 1 252 28 28 ARG HA H 5.236 0.030 1 253 28 28 ARG HB2 H 1.782 0.030 2 254 28 28 ARG HB3 H 2.063 0.030 2 255 28 28 ARG HD2 H 3.735 0.030 2 256 28 28 ARG HD3 H 3.020 0.030 2 257 28 28 ARG HG2 H 1.525 0.030 2 258 28 28 ARG HG3 H 1.824 0.030 2 259 28 28 ARG C C 173.319 0.300 1 260 28 28 ARG CA C 53.481 0.300 1 261 28 28 ARG CB C 34.405 0.300 1 262 28 28 ARG CD C 43.681 0.300 1 263 28 28 ARG CG C 28.029 0.300 1 264 28 28 ARG N N 127.032 0.300 1 265 29 29 TRP H H 8.408 0.030 1 266 29 29 TRP HA H 4.424 0.030 1 267 29 29 TRP HB2 H 2.486 0.030 2 268 29 29 TRP HB3 H 1.710 0.030 2 269 29 29 TRP HE3 H 6.585 0.030 1 270 29 29 TRP HH2 H 6.976 0.030 1 271 29 29 TRP HZ2 H 7.225 0.030 1 272 29 29 TRP HZ3 H 6.542 0.030 1 273 29 29 TRP C C 174.606 0.300 1 274 29 29 TRP CA C 56.383 0.300 1 275 29 29 TRP CB C 29.226 0.300 1 276 29 29 TRP CE3 C 118.123 0.300 1 277 29 29 TRP CH2 C 123.674 0.300 1 278 29 29 TRP CZ2 C 114.121 0.300 1 279 29 29 TRP CZ3 C 121.295 0.300 1 280 29 29 TRP N N 124.511 0.300 1 281 30 30 VAL H H 8.464 0.030 1 282 30 30 VAL HA H 4.736 0.030 1 283 30 30 VAL HB H 1.581 0.030 1 284 30 30 VAL HG1 H 0.354 0.030 1 285 30 30 VAL HG2 H 0.691 0.030 1 286 30 30 VAL C C 172.903 0.300 1 287 30 30 VAL CA C 61.219 0.300 1 288 30 30 VAL CB C 32.925 0.300 1 289 30 30 VAL CG1 C 21.786 0.300 2 290 30 30 VAL CG2 C 22.567 0.300 2 291 30 30 VAL N N 129.572 0.300 1 292 31 31 LYS H H 9.125 0.030 1 293 31 31 LYS HA H 5.095 0.030 1 294 31 31 LYS HB2 H 1.885 0.030 2 295 31 31 LYS HB3 H 1.567 0.030 2 296 31 31 LYS HD2 H 1.730 0.030 1 297 31 31 LYS HD3 H 1.730 0.030 1 298 31 31 LYS HE2 H 2.909 0.030 1 299 31 31 LYS HE3 H 2.909 0.030 1 300 31 31 LYS HG2 H 1.109 0.030 2 301 31 31 LYS HG3 H 1.365 0.030 2 302 31 31 LYS C C 175.396 0.300 1 303 31 31 LYS CA C 54.677 0.300 1 304 31 31 LYS CB C 37.036 0.300 1 305 31 31 LYS CD C 29.710 0.300 1 306 31 31 LYS CE C 41.968 0.300 1 307 31 31 LYS CG C 24.827 0.300 1 308 31 31 LYS N N 124.358 0.300 1 309 32 32 PHE H H 9.725 0.030 1 310 32 32 PHE HA H 5.905 0.030 1 311 32 32 PHE HB2 H 3.091 0.030 1 312 32 32 PHE HB3 H 3.091 0.030 1 313 32 32 PHE HD1 H 7.164 0.030 1 314 32 32 PHE HD2 H 7.164 0.030 1 315 32 32 PHE HE1 H 7.127 0.030 1 316 32 32 PHE HE2 H 7.127 0.030 1 317 32 32 PHE HZ H 7.173 0.030 1 318 32 32 PHE C C 174.555 0.300 1 319 32 32 PHE CA C 56.224 0.300 1 320 32 32 PHE CB C 41.804 0.300 1 321 32 32 PHE CD1 C 132.574 0.300 1 322 32 32 PHE CD2 C 132.574 0.300 1 323 32 32 PHE CE1 C 131.036 0.300 1 324 32 32 PHE CE2 C 131.036 0.300 1 325 32 32 PHE CZ C 129.914 0.300 1 326 32 32 PHE N N 125.979 0.300 1 327 33 33 ASP H H 7.884 0.030 1 328 33 33 ASP HA H 4.555 0.030 1 329 33 33 ASP HB2 H 2.266 0.030 2 330 33 33 ASP HB3 H 3.097 0.030 2 331 33 33 ASP C C 175.730 0.300 1 332 33 33 ASP CA C 52.602 0.300 1 333 33 33 ASP CB C 41.686 0.300 1 334 33 33 ASP N N 126.924 0.300 1 335 34 34 GLY H H 4.680 0.030 1 336 34 34 GLY HA2 H 4.252 0.030 2 337 34 34 GLY HA3 H 3.023 0.030 2 338 34 34 GLY C C 172.363 0.300 1 339 34 34 GLY CA C 45.672 0.300 1 340 35 35 LEU H H 8.148 0.030 1 341 35 35 LEU HA H 4.623 0.030 1 342 35 35 LEU HB2 H 1.797 0.030 2 343 35 35 LEU HB3 H 1.576 0.030 2 344 35 35 LEU HD1 H 0.855 0.030 1 345 35 35 LEU HD2 H 0.866 0.030 1 346 35 35 LEU HG H 1.450 0.030 1 347 35 35 LEU C C 177.783 0.300 1 348 35 35 LEU CA C 55.978 0.300 1 349 35 35 LEU CB C 44.352 0.300 1 350 35 35 LEU CD1 C 24.869 0.300 2 351 35 35 LEU CD2 C 23.718 0.300 2 352 35 35 LEU CG C 27.250 0.300 1 353 35 35 LEU N N 120.632 0.300 1 354 36 36 SER H H 9.064 0.030 1 355 36 36 SER HA H 5.059 0.030 1 356 36 36 SER HB2 H 3.794 0.030 2 357 36 36 SER HB3 H 3.492 0.030 2 358 36 36 SER C C 173.878 0.300 1 359 36 36 SER CA C 57.667 0.300 1 360 36 36 SER CB C 66.140 0.300 1 361 36 36 SER N N 115.030 0.300 1 362 37 37 ILE H H 8.981 0.030 1 363 37 37 ILE HA H 5.055 0.030 1 364 37 37 ILE HB H 1.895 0.030 1 365 37 37 ILE HD1 H 0.755 0.030 1 366 37 37 ILE HG12 H 0.841 0.030 2 367 37 37 ILE HG13 H 1.835 0.030 2 368 37 37 ILE HG2 H 0.635 0.030 1 369 37 37 ILE C C 174.995 0.300 1 370 37 37 ILE CA C 61.061 0.300 1 371 37 37 ILE CB C 39.355 0.300 1 372 37 37 ILE CD1 C 14.904 0.300 1 373 37 37 ILE CG1 C 28.401 0.300 1 374 37 37 ILE CG2 C 17.634 0.300 1 375 37 37 ILE N N 122.186 0.300 1 376 38 38 SER H H 9.422 0.030 1 377 38 38 SER HA H 5.297 0.030 1 378 38 38 SER HB2 H 3.706 0.030 2 379 38 38 SER HB3 H 3.616 0.030 2 380 38 38 SER C C 172.177 0.300 1 381 38 38 SER CA C 56.910 0.300 1 382 38 38 SER CB C 66.018 0.300 1 383 38 38 SER N N 122.548 0.300 1 384 39 39 TYR H H 7.649 0.030 1 385 39 39 TYR HA H 6.025 0.030 1 386 39 39 TYR HB2 H 2.784 0.030 2 387 39 39 TYR HB3 H 2.855 0.030 2 388 39 39 TYR HD1 H 6.564 0.030 1 389 39 39 TYR HD2 H 6.564 0.030 1 390 39 39 TYR HE1 H 6.503 0.030 1 391 39 39 TYR HE2 H 6.503 0.030 1 392 39 39 TYR C C 173.937 0.300 1 393 39 39 TYR CA C 54.144 0.300 1 394 39 39 TYR CB C 41.722 0.300 1 395 39 39 TYR CD1 C 133.022 0.300 1 396 39 39 TYR CD2 C 133.022 0.300 1 397 39 39 TYR CE1 C 117.994 0.300 1 398 39 39 TYR CE2 C 117.994 0.300 1 399 39 39 TYR N N 116.176 0.300 1 400 40 40 TYR H H 9.647 0.030 1 401 40 40 TYR HA H 5.044 0.030 1 402 40 40 TYR HB2 H 3.642 0.030 2 403 40 40 TYR HB3 H 3.174 0.030 2 404 40 40 TYR HD1 H 7.165 0.030 1 405 40 40 TYR HD2 H 7.165 0.030 1 406 40 40 TYR HE1 H 6.595 0.030 1 407 40 40 TYR HE2 H 6.595 0.030 1 408 40 40 TYR CA C 56.928 0.300 1 409 40 40 TYR CB C 43.678 0.300 1 410 40 40 TYR CD1 C 134.087 0.300 1 411 40 40 TYR CD2 C 134.087 0.300 1 412 40 40 TYR CE1 C 118.105 0.300 1 413 40 40 TYR CE2 C 118.105 0.300 1 414 40 40 TYR N N 118.964 0.300 1 415 41 41 ASN H H 7.712 0.030 1 416 41 41 ASN HA H 4.867 0.030 1 417 41 41 ASN HB2 H 3.401 0.030 2 418 41 41 ASN HB3 H 3.139 0.030 2 419 41 41 ASN HD21 H 7.090 0.030 2 420 41 41 ASN HD22 H 7.900 0.030 2 421 41 41 ASN CB C 39.279 0.300 1 422 41 41 ASN N N 109.731 0.300 1 423 41 41 ASN ND2 N 115.884 0.300 1 424 42 42 ASN H H 9.215 0.030 1 425 42 42 ASN HA H 4.868 0.030 1 426 42 42 ASN HB2 H 3.400 0.030 2 427 42 42 ASN HB3 H 3.125 0.030 2 428 42 42 ASN CA C 52.812 0.300 1 429 42 42 ASN CB C 39.180 0.300 1 430 44 44 LYS HB2 H 1.485 0.030 2 431 44 44 LYS HB3 H 1.266 0.030 2 432 44 44 LYS HG2 H 0.670 0.030 1 433 44 44 LYS HG3 H 0.670 0.030 1 434 44 44 LYS CB C 35.364 0.300 1 435 44 44 LYS CG C 27.536 0.300 1 436 46 46 MET H H 8.285 0.030 1 437 46 46 MET HA H 4.218 0.030 1 438 46 46 MET HB2 H 1.705 0.030 2 439 46 46 MET HB3 H 1.653 0.030 2 440 46 46 MET HG2 H 2.274 0.030 2 441 46 46 MET HG3 H 2.125 0.030 2 442 46 46 MET CA C 56.523 0.300 1 443 46 46 MET CB C 33.665 0.300 1 444 46 46 MET CG C 31.774 0.300 1 445 47 47 TYR H H 7.965 0.030 1 446 47 47 TYR HA H 4.935 0.030 1 447 47 47 TYR HB2 H 3.005 0.030 2 448 47 47 TYR HB3 H 3.145 0.030 2 449 47 47 TYR HD1 H 7.183 0.030 1 450 47 47 TYR HD2 H 7.183 0.030 1 451 47 47 TYR HE1 H 6.855 0.030 1 452 47 47 TYR HE2 H 6.855 0.030 1 453 47 47 TYR CA C 55.861 0.300 1 454 47 47 TYR CB C 38.476 0.300 1 455 47 47 TYR CD1 C 133.439 0.300 1 456 47 47 TYR CD2 C 133.439 0.300 1 457 47 47 TYR CE1 C 118.159 0.300 1 458 47 47 TYR CE2 C 118.159 0.300 1 459 47 47 TYR N N 117.521 0.300 1 460 49 49 LYS H H 8.704 0.030 1 461 49 49 LYS HA H 4.369 0.030 1 462 49 49 LYS HB2 H 1.908 0.030 1 463 49 49 LYS HB3 H 1.908 0.030 1 464 49 49 LYS HD2 H 1.725 0.030 1 465 49 49 LYS HD3 H 1.725 0.030 1 466 49 49 LYS HE2 H 3.099 0.030 1 467 49 49 LYS HE3 H 3.099 0.030 1 468 49 49 LYS HG2 H 1.537 0.030 2 469 49 49 LYS HG3 H 1.423 0.030 2 470 49 49 LYS CA C 54.891 0.300 1 471 49 49 LYS CB C 32.501 0.300 1 472 49 49 LYS CD C 28.250 0.300 1 473 49 49 LYS CE C 42.190 0.300 1 474 49 49 LYS CG C 24.135 0.300 1 475 50 50 GLY H H 6.985 0.030 1 476 50 50 GLY HA2 H 3.825 0.030 2 477 50 50 GLY HA3 H 3.265 0.030 2 478 50 50 GLY C C 170.241 0.300 1 479 50 50 GLY CA C 45.039 0.300 1 480 50 50 GLY N N 108.097 0.300 1 481 51 51 ILE H H 7.890 0.030 1 482 51 51 ILE HA H 4.777 0.030 1 483 51 51 ILE HB H 1.532 0.030 1 484 51 51 ILE HD1 H 0.769 0.030 1 485 51 51 ILE HG12 H 1.324 0.030 2 486 51 51 ILE HG13 H 0.803 0.030 2 487 51 51 ILE HG2 H 0.743 0.030 1 488 51 51 ILE C C 175.026 0.300 1 489 51 51 ILE CA C 60.217 0.300 1 490 51 51 ILE CB C 42.388 0.300 1 491 51 51 ILE CD1 C 13.899 0.300 1 492 51 51 ILE CG1 C 27.870 0.300 1 493 51 51 ILE CG2 C 16.648 0.300 1 494 51 51 ILE N N 117.769 0.300 1 495 52 52 ILE H H 9.485 0.030 1 496 52 52 ILE HA H 4.533 0.030 1 497 52 52 ILE HB H 1.862 0.030 1 498 52 52 ILE HD1 H 0.065 0.030 1 499 52 52 ILE HG12 H 0.414 0.030 2 500 52 52 ILE HG13 H 1.235 0.030 2 501 52 52 ILE HG2 H 0.709 0.030 1 502 52 52 ILE C C 173.526 0.300 1 503 52 52 ILE CA C 57.983 0.300 1 504 52 52 ILE CB C 40.324 0.300 1 505 52 52 ILE CD1 C 13.308 0.300 1 506 52 52 ILE CG1 C 26.340 0.300 1 507 52 52 ILE CG2 C 17.966 0.300 1 508 52 52 ILE N N 127.899 0.300 1 509 53 53 PRO HA H 4.501 0.030 1 510 53 53 PRO HB2 H 2.423 0.030 2 511 53 53 PRO HB3 H 2.074 0.030 2 512 53 53 PRO HD2 H 3.783 0.030 1 513 53 53 PRO HD3 H 3.783 0.030 1 514 53 53 PRO HG2 H 1.969 0.030 2 515 53 53 PRO HG3 H 2.167 0.030 2 516 53 53 PRO C C 177.663 0.300 1 517 53 53 PRO CA C 62.838 0.300 1 518 53 53 PRO CB C 31.939 0.300 1 519 53 53 PRO CD C 51.033 0.300 1 520 53 53 PRO CG C 27.468 0.300 1 521 54 54 LEU H H 8.647 0.030 1 522 54 54 LEU HA H 3.985 0.030 1 523 54 54 LEU HB2 H 1.436 0.030 2 524 54 54 LEU HB3 H 1.881 0.030 2 525 54 54 LEU HD1 H 0.934 0.030 1 526 54 54 LEU HD2 H 0.974 0.030 1 527 54 54 LEU HG H 1.763 0.030 1 528 54 54 LEU C C 178.940 0.300 1 529 54 54 LEU CA C 58.371 0.300 1 530 54 54 LEU CB C 42.388 0.300 1 531 54 54 LEU CD1 C 24.540 0.300 2 532 54 54 LEU CD2 C 26.020 0.300 2 533 54 54 LEU CG C 27.190 0.300 1 534 54 54 LEU N N 124.847 0.300 1 535 55 55 SER H H 8.278 0.030 1 536 55 55 SER HA H 4.169 0.030 1 537 55 55 SER HB2 H 3.905 0.030 2 538 55 55 SER HB3 H 4.023 0.030 2 539 55 55 SER C C 174.956 0.300 1 540 55 55 SER CA C 59.971 0.300 1 541 55 55 SER CB C 62.721 0.300 1 542 55 55 SER N N 109.639 0.300 1 543 56 56 ALA H H 7.796 0.030 1 544 56 56 ALA HA H 4.545 0.030 1 545 56 56 ALA HB H 1.630 0.030 1 546 56 56 ALA C C 177.505 0.300 1 547 56 56 ALA CA C 52.022 0.300 1 548 56 56 ALA CB C 20.240 0.300 1 549 56 56 ALA N N 123.057 0.300 1 550 57 57 ILE H H 7.664 0.030 1 551 57 57 ILE HA H 4.035 0.030 1 552 57 57 ILE HB H 2.089 0.030 1 553 57 57 ILE HD1 H 0.754 0.030 1 554 57 57 ILE HG12 H 0.494 0.030 2 555 57 57 ILE HG13 H 2.085 0.030 2 556 57 57 ILE HG2 H 0.808 0.030 1 557 57 57 ILE C C 175.285 0.300 1 558 57 57 ILE CA C 62.697 0.300 1 559 57 57 ILE CB C 38.474 0.300 1 560 57 57 ILE CD1 C 13.680 0.300 1 561 57 57 ILE CG1 C 27.283 0.300 1 562 57 57 ILE CG2 C 18.270 0.300 1 563 57 57 ILE N N 119.512 0.300 1 564 58 58 SER H H 9.364 0.030 1 565 58 58 SER HA H 4.526 0.030 1 566 58 58 SER HB2 H 3.683 0.030 2 567 58 58 SER HB3 H 3.765 0.030 2 568 58 58 SER C C 175.125 0.300 1 569 58 58 SER CA C 59.215 0.300 1 570 58 58 SER CB C 63.590 0.300 1 571 58 58 SER N N 122.513 0.300 1 572 59 59 THR H H 7.502 0.030 1 573 59 59 THR HA H 4.355 0.030 1 574 59 59 THR HB H 4.246 0.030 1 575 59 59 THR HG2 H 0.946 0.030 1 576 59 59 THR C C 170.784 0.300 1 577 59 59 THR CA C 61.132 0.300 1 578 59 59 THR CB C 68.686 0.300 1 579 59 59 THR CG2 C 18.770 0.300 1 580 59 59 THR N N 112.470 0.300 1 581 60 60 VAL H H 7.766 0.030 1 582 60 60 VAL HA H 5.326 0.030 1 583 60 60 VAL HB H 1.892 0.030 1 584 60 60 VAL HG1 H 0.994 0.030 1 585 60 60 VAL HG2 H 0.944 0.030 1 586 60 60 VAL C C 174.166 0.300 1 587 60 60 VAL CA C 60.410 0.300 1 588 60 60 VAL CB C 34.979 0.300 1 589 60 60 VAL CG1 C 22.210 0.300 2 590 60 60 VAL CG2 C 21.720 0.300 2 591 60 60 VAL N N 121.276 0.300 1 592 61 61 ARG H H 8.941 0.030 1 593 61 61 ARG HA H 5.053 0.030 1 594 61 61 ARG HB2 H 1.918 0.030 1 595 61 61 ARG HB3 H 1.918 0.030 1 596 61 61 ARG HD2 H 3.115 0.030 2 597 61 61 ARG HD3 H 3.195 0.030 2 598 61 61 ARG HG2 H 1.535 0.030 2 599 61 61 ARG HG3 H 1.589 0.030 2 600 61 61 ARG C C 175.460 0.300 1 601 61 61 ARG CA C 54.166 0.300 1 602 61 61 ARG CB C 34.000 0.300 1 603 61 61 ARG CD C 43.695 0.300 1 604 61 61 ARG CG C 27.106 0.300 1 605 61 61 ARG N N 121.101 0.300 1 606 62 62 VAL H H 8.627 0.030 1 607 62 62 VAL HA H 4.195 0.030 1 608 62 62 VAL HB H 2.174 0.030 1 609 62 62 VAL HG1 H 1.006 0.030 1 610 62 62 VAL HG2 H 0.998 0.030 1 611 62 62 VAL C C 175.216 0.300 1 612 62 62 VAL CA C 62.926 0.300 1 613 62 62 VAL CB C 33.459 0.300 1 614 62 62 VAL CG1 C 21.992 0.300 2 615 62 62 VAL CG2 C 20.018 0.300 2 616 62 62 VAL N N 118.451 0.300 1 617 63 63 GLN H H 7.628 0.030 1 618 63 63 GLN HA H 4.575 0.030 1 619 63 63 GLN HB2 H 1.722 0.030 2 620 63 63 GLN HB3 H 1.875 0.030 2 621 63 63 GLN HE21 H 7.774 0.030 2 622 63 63 GLN HE22 H 6.470 0.030 2 623 63 63 GLN HG2 H 2.324 0.030 2 624 63 63 GLN HG3 H 2.071 0.030 2 625 63 63 GLN C C 174.418 0.300 1 626 63 63 GLN CA C 55.451 0.300 1 627 63 63 GLN CB C 32.062 0.300 1 628 63 63 GLN CG C 34.268 0.300 1 629 63 63 GLN N N 123.160 0.300 1 630 63 63 GLN NE2 N 110.321 0.300 1 631 64 64 GLY H H 8.678 0.030 1 632 64 64 GLY HA2 H 4.025 0.030 2 633 64 64 GLY HA3 H 3.895 0.030 2 634 64 64 GLY C C 174.592 0.300 1 635 64 64 GLY CA C 45.531 0.300 1 636 64 64 GLY N N 112.406 0.300 1 637 65 65 ASP HA H 4.625 0.030 1 638 65 65 ASP HB2 H 2.707 0.030 2 639 65 65 ASP HB3 H 2.575 0.030 2 640 65 65 ASP C C 176.902 0.300 1 641 65 65 ASP CA C 55.486 0.300 1 642 65 65 ASP CB C 40.817 0.300 1 643 66 66 ASN H H 7.979 0.030 1 644 66 66 ASN HA H 4.554 0.030 1 645 66 66 ASN HB2 H 3.314 0.030 2 646 66 66 ASN HB3 H 2.810 0.030 2 647 66 66 ASN HD21 H 7.502 0.030 2 648 66 66 ASN HD22 H 6.623 0.030 2 649 66 66 ASN C C 174.456 0.300 1 650 66 66 ASN CA C 52.795 0.300 1 651 66 66 ASN CB C 37.981 0.300 1 652 66 66 ASN N N 112.071 0.300 1 653 66 66 ASN ND2 N 109.970 0.300 1 654 67 67 LYS H H 7.476 0.030 1 655 67 67 LYS HA H 5.914 0.030 1 656 67 67 LYS HB2 H 2.165 0.030 2 657 67 67 LYS HB3 H 1.639 0.030 2 658 67 67 LYS HD2 H 1.705 0.030 2 659 67 67 LYS HD3 H 1.513 0.030 2 660 67 67 LYS HE2 H 2.878 0.030 1 661 67 67 LYS HE3 H 2.878 0.030 1 662 67 67 LYS HG2 H 1.523 0.030 2 663 67 67 LYS HG3 H 1.211 0.030 2 664 67 67 LYS C C 177.922 0.300 1 665 67 67 LYS CA C 54.906 0.300 1 666 67 67 LYS CB C 36.707 0.300 1 667 67 67 LYS CD C 29.160 0.300 1 668 67 67 LYS CE C 41.640 0.300 1 669 67 67 LYS CG C 24.631 0.300 1 670 67 67 LYS N N 115.613 0.300 1 671 68 68 PHE H H 9.227 0.030 1 672 68 68 PHE HA H 5.296 0.030 1 673 68 68 PHE HB2 H 2.995 0.030 2 674 68 68 PHE HB3 H 2.867 0.030 2 675 68 68 PHE HD1 H 6.745 0.030 1 676 68 68 PHE HD2 H 6.745 0.030 1 677 68 68 PHE HE1 H 6.443 0.030 1 678 68 68 PHE HE2 H 6.443 0.030 1 679 68 68 PHE HZ H 5.749 0.030 1 680 68 68 PHE C C 171.230 0.300 1 681 68 68 PHE CA C 56.576 0.300 1 682 68 68 PHE CB C 42.790 0.300 1 683 68 68 PHE CD1 C 131.681 0.300 1 684 68 68 PHE CD2 C 131.681 0.300 1 685 68 68 PHE CE1 C 130.247 0.300 1 686 68 68 PHE CE2 C 130.247 0.300 1 687 68 68 PHE CZ C 129.062 0.300 1 688 68 68 PHE N N 117.009 0.300 1 689 69 69 GLU H H 9.527 0.030 1 690 69 69 GLU HA H 5.434 0.030 1 691 69 69 GLU HB2 H 1.833 0.030 1 692 69 69 GLU HB3 H 1.833 0.030 1 693 69 69 GLU HG2 H 2.035 0.030 1 694 69 69 GLU HG3 H 2.035 0.030 1 695 69 69 GLU C C 175.659 0.300 1 696 69 69 GLU CA C 53.429 0.300 1 697 69 69 GLU CB C 33.460 0.300 1 698 69 69 GLU CG C 36.460 0.300 1 699 69 69 GLU N N 119.470 0.300 1 700 70 70 VAL H H 9.486 0.030 1 701 70 70 VAL HA H 4.486 0.030 1 702 70 70 VAL HB H 2.353 0.030 1 703 70 70 VAL HG1 H 1.025 0.030 1 704 70 70 VAL HG2 H 1.124 0.030 1 705 70 70 VAL C C 174.403 0.300 1 706 70 70 VAL CA C 62.240 0.300 1 707 70 70 VAL CB C 33.706 0.300 1 708 70 70 VAL CG1 C 22.403 0.300 2 709 70 70 VAL CG2 C 21.252 0.300 2 710 70 70 VAL N N 123.935 0.300 1 711 71 71 VAL H H 8.658 0.030 1 712 71 71 VAL HA H 4.345 0.030 1 713 71 71 VAL HB H 2.065 0.030 1 714 71 71 VAL HG1 H 0.885 0.030 1 715 71 71 VAL HG2 H 0.835 0.030 1 716 71 71 VAL C C 175.524 0.300 1 717 71 71 VAL CA C 63.365 0.300 1 718 71 71 VAL CB C 32.802 0.300 1 719 71 71 VAL CG1 C 20.736 0.300 2 720 71 71 VAL CG2 C 20.594 0.300 2 721 71 71 VAL N N 129.195 0.300 1 722 72 72 THR H H 8.134 0.030 1 723 72 72 THR HA H 5.515 0.030 1 724 72 72 THR HB H 4.755 0.030 1 725 72 72 THR HG2 H 1.375 0.030 1 726 72 72 THR C C 174.609 0.300 1 727 72 72 THR CA C 59.496 0.300 1 728 72 72 THR CB C 72.139 0.300 1 729 72 72 THR CG2 C 22.020 0.300 1 730 72 72 THR N N 117.639 0.300 1 731 73 73 THR H H 8.944 0.030 1 732 73 73 THR HA H 3.966 0.030 1 733 73 73 THR HB H 4.225 0.030 1 734 73 73 THR HG2 H 1.305 0.030 1 735 73 73 THR C C 175.783 0.300 1 736 73 73 THR CA C 65.880 0.300 1 737 73 73 THR CB C 68.604 0.300 1 738 73 73 THR CG2 C 22.208 0.300 1 739 73 73 THR N N 114.027 0.300 1 740 74 74 GLN H H 7.997 0.030 1 741 74 74 GLN HA H 4.350 0.030 1 742 74 74 GLN HB2 H 2.126 0.030 2 743 74 74 GLN HB3 H 1.965 0.030 2 744 74 74 GLN HE21 H 6.911 0.030 2 745 74 74 GLN HE22 H 7.559 0.030 2 746 74 74 GLN HG2 H 2.398 0.030 1 747 74 74 GLN HG3 H 2.398 0.030 1 748 74 74 GLN C C 175.698 0.300 1 749 74 74 GLN CA C 56.910 0.300 1 750 74 74 GLN CB C 30.624 0.300 1 751 74 74 GLN CG C 34.323 0.300 1 752 74 74 GLN N N 115.670 0.300 1 753 74 74 GLN NE2 N 112.351 0.300 1 754 75 75 ARG H H 7.366 0.030 1 755 75 75 ARG HA H 4.395 0.030 1 756 75 75 ARG HB2 H 1.540 0.030 2 757 75 75 ARG HB3 H 1.440 0.030 2 758 75 75 ARG HD2 H 2.785 0.030 1 759 75 75 ARG HD3 H 2.785 0.030 1 760 75 75 ARG HG2 H 0.850 0.030 1 761 75 75 ARG HG3 H 0.850 0.030 1 762 75 75 ARG C C 174.546 0.300 1 763 75 75 ARG CA C 55.802 0.300 1 764 75 75 ARG CB C 32.514 0.300 1 765 75 75 ARG CD C 43.119 0.300 1 766 75 75 ARG CG C 25.691 0.300 1 767 75 75 ARG N N 115.650 0.300 1 768 76 76 THR H H 8.679 0.030 1 769 76 76 THR HA H 5.065 0.030 1 770 76 76 THR HB H 3.904 0.030 1 771 76 76 THR HG2 H 1.005 0.030 1 772 76 76 THR C C 173.239 0.300 1 773 76 76 THR CA C 61.888 0.300 1 774 76 76 THR CB C 69.878 0.300 1 775 76 76 THR CG2 C 22.567 0.300 1 776 76 76 THR N N 120.285 0.300 1 777 77 77 PHE H H 9.156 0.030 1 778 77 77 PHE HA H 4.385 0.030 1 779 77 77 PHE HB2 H 2.833 0.030 2 780 77 77 PHE HB3 H 2.395 0.030 2 781 77 77 PHE HD1 H 7.057 0.030 1 782 77 77 PHE HD2 H 7.057 0.030 1 783 77 77 PHE HE1 H 7.333 0.030 1 784 77 77 PHE HE2 H 7.333 0.030 1 785 77 77 PHE HZ H 7.335 0.030 1 786 77 77 PHE C C 174.028 0.300 1 787 77 77 PHE CA C 56.822 0.300 1 788 77 77 PHE CB C 41.640 0.300 1 789 77 77 PHE CD1 C 131.660 0.300 1 790 77 77 PHE CD2 C 131.660 0.300 1 791 77 77 PHE CE1 C 131.618 0.300 1 792 77 77 PHE CE2 C 131.618 0.300 1 793 77 77 PHE CZ C 129.985 0.300 1 794 77 77 PHE N N 127.212 0.300 1 795 78 78 VAL H H 8.374 0.030 1 796 78 78 VAL HA H 4.506 0.030 1 797 78 78 VAL HB H 1.773 0.030 1 798 78 78 VAL HG1 H 0.864 0.030 1 799 78 78 VAL HG2 H 0.775 0.030 1 800 78 78 VAL C C 173.264 0.300 1 801 78 78 VAL CA C 61.730 0.300 1 802 78 78 VAL CB C 33.254 0.300 1 803 78 78 VAL CG1 C 21.087 0.300 2 804 78 78 VAL CG2 C 21.087 0.300 2 805 78 78 VAL N N 123.393 0.300 1 806 79 79 PHE H H 8.458 0.030 1 807 79 79 PHE HA H 5.403 0.030 1 808 79 79 PHE HB2 H 2.176 0.030 2 809 79 79 PHE HB3 H 0.965 0.030 2 810 79 79 PHE HD1 H 6.444 0.030 1 811 79 79 PHE HD2 H 6.444 0.030 1 812 79 79 PHE HE1 H 6.495 0.030 1 813 79 79 PHE HE2 H 6.495 0.030 1 814 79 79 PHE HZ H 6.364 0.030 1 815 79 79 PHE C C 173.855 0.300 1 816 79 79 PHE CA C 55.151 0.300 1 817 79 79 PHE CB C 42.913 0.300 1 818 79 79 PHE CD1 C 132.491 0.300 1 819 79 79 PHE CD2 C 132.491 0.300 1 820 79 79 PHE CE1 C 129.083 0.300 1 821 79 79 PHE CE2 C 129.083 0.300 1 822 79 79 PHE CZ C 126.668 0.300 1 823 79 79 PHE N N 123.801 0.300 1 824 80 80 ARG H H 9.407 0.030 1 825 80 80 ARG HA H 5.134 0.030 1 826 80 80 ARG HB2 H 1.506 0.030 2 827 80 80 ARG HB3 H 0.893 0.030 2 828 80 80 ARG HD2 H 2.866 0.030 2 829 80 80 ARG HD3 H 2.085 0.030 2 830 80 80 ARG HG2 H 1.403 0.030 2 831 80 80 ARG HG3 H 1.355 0.030 2 832 80 80 ARG C C 174.634 0.300 1 833 80 80 ARG CA C 54.431 0.300 1 834 80 80 ARG CB C 35.227 0.300 1 835 80 80 ARG CD C 43.649 0.300 1 836 80 80 ARG CG C 25.901 0.300 1 837 80 80 ARG N N 121.570 0.300 1 838 81 81 VAL H H 8.544 0.030 1 839 81 81 VAL HA H 4.708 0.030 1 840 81 81 VAL HB H 2.327 0.030 1 841 81 81 VAL HG1 H 1.082 0.030 1 842 81 81 VAL HG2 H 0.977 0.030 1 843 81 81 VAL C C 175.050 0.300 1 844 81 81 VAL CA C 59.602 0.300 1 845 81 81 VAL CB C 33.706 0.300 1 846 81 81 VAL CG1 C 22.156 0.300 2 847 81 81 VAL CG2 C 21.169 0.300 2 848 81 81 VAL N N 122.128 0.300 1 849 82 82 GLU H H 8.549 0.030 1 850 82 82 GLU HA H 4.132 0.030 1 851 82 82 GLU HB2 H 2.125 0.030 1 852 82 82 GLU HB3 H 2.125 0.030 1 853 82 82 GLU HG2 H 2.243 0.030 2 854 82 82 GLU HG3 H 2.385 0.030 2 855 82 82 GLU C C 176.909 0.300 1 856 82 82 GLU CA C 58.973 0.300 1 857 82 82 GLU CB C 30.582 0.300 1 858 82 82 GLU CG C 36.543 0.300 1 859 82 82 GLU N N 121.776 0.300 1 860 83 83 LYS H H 7.618 0.030 1 861 83 83 LYS HA H 4.708 0.030 1 862 83 83 LYS HB2 H 2.055 0.030 2 863 83 83 LYS HB3 H 1.819 0.030 2 864 83 83 LYS HD2 H 1.786 0.030 1 865 83 83 LYS HD3 H 1.786 0.030 1 866 83 83 LYS HE2 H 3.045 0.030 1 867 83 83 LYS HE3 H 3.045 0.030 1 868 83 83 LYS HG2 H 1.515 0.030 1 869 83 83 LYS HG3 H 1.515 0.030 1 870 83 83 LYS C C 176.665 0.300 1 871 83 83 LYS CA C 54.694 0.300 1 872 83 83 LYS CB C 34.775 0.300 1 873 83 83 LYS CD C 29.226 0.300 1 874 83 83 LYS CE C 42.215 0.300 1 875 83 83 LYS CG C 24.951 0.300 1 876 83 83 LYS N N 115.778 0.300 1 877 84 84 GLU H H 9.150 0.030 1 878 84 84 GLU HA H 3.953 0.030 1 879 84 84 GLU HB2 H 2.217 0.030 2 880 84 84 GLU HB3 H 1.984 0.030 2 881 84 84 GLU HG2 H 2.434 0.030 2 882 84 84 GLU HG3 H 2.254 0.030 2 883 84 84 GLU C C 178.243 0.300 1 884 84 84 GLU CA C 60.217 0.300 1 885 84 84 GLU CB C 29.843 0.300 1 886 84 84 GLU CG C 35.885 0.300 1 887 84 84 GLU N N 127.798 0.300 1 888 85 85 GLU H H 9.626 0.030 1 889 85 85 GLU HA H 4.100 0.030 1 890 85 85 GLU HB2 H 2.055 0.030 1 891 85 85 GLU HB3 H 2.055 0.030 1 892 85 85 GLU HG2 H 2.355 0.030 1 893 85 85 GLU HG3 H 2.355 0.030 1 894 85 85 GLU C C 178.948 0.300 1 895 85 85 GLU CA C 59.847 0.300 1 896 85 85 GLU CB C 28.897 0.300 1 897 85 85 GLU CG C 36.543 0.300 1 898 85 85 GLU N N 117.844 0.300 1 899 86 86 GLU H H 7.257 0.030 1 900 86 86 GLU HA H 4.365 0.030 1 901 86 86 GLU HB2 H 2.328 0.030 1 902 86 86 GLU HB3 H 2.328 0.030 1 903 86 86 GLU HG2 H 2.517 0.030 2 904 86 86 GLU HG3 H 2.446 0.030 2 905 86 86 GLU C C 178.607 0.300 1 906 86 86 GLU CA C 58.089 0.300 1 907 86 86 GLU CB C 30.212 0.300 1 908 86 86 GLU CG C 36.460 0.300 1 909 86 86 GLU N N 118.075 0.300 1 910 87 87 ARG H H 7.919 0.030 1 911 87 87 ARG HA H 3.838 0.030 1 912 87 87 ARG HB2 H 2.443 0.030 2 913 87 87 ARG HB3 H 1.735 0.030 2 914 87 87 ARG HD2 H 3.255 0.030 2 915 87 87 ARG HD3 H 3.067 0.030 2 916 87 87 ARG HG2 H 1.619 0.030 1 917 87 87 ARG HG3 H 1.619 0.030 1 918 87 87 ARG C C 177.977 0.300 1 919 87 87 ARG CA C 60.815 0.300 1 920 87 87 ARG CB C 28.856 0.300 1 921 87 87 ARG CD C 42.749 0.300 1 922 87 87 ARG CG C 27.204 0.300 1 923 87 87 ARG N N 121.287 0.300 1 924 88 88 ASN H H 8.421 0.030 1 925 88 88 ASN HA H 4.295 0.030 1 926 88 88 ASN HB2 H 2.903 0.030 1 927 88 88 ASN HB3 H 2.903 0.030 1 928 88 88 ASN HD21 H 7.857 0.030 2 929 88 88 ASN HD22 H 7.454 0.030 2 930 88 88 ASN C C 177.423 0.300 1 931 88 88 ASN CA C 55.627 0.300 1 932 88 88 ASN CB C 37.136 0.300 1 933 88 88 ASN N N 116.926 0.300 1 934 88 88 ASN ND2 N 113.741 0.300 1 935 89 89 ASP H H 7.790 0.030 1 936 89 89 ASP HA H 4.389 0.030 1 937 89 89 ASP HB2 H 2.727 0.030 2 938 89 89 ASP HB3 H 2.335 0.030 2 939 89 89 ASP C C 177.683 0.300 1 940 89 89 ASP CA C 57.737 0.300 1 941 89 89 ASP CB C 41.352 0.300 1 942 89 89 ASP N N 121.867 0.300 1 943 90 90 TRP H H 7.690 0.030 1 944 90 90 TRP HA H 3.666 0.030 1 945 90 90 TRP HB2 H 2.663 0.030 2 946 90 90 TRP HB3 H 2.181 0.030 2 947 90 90 TRP HD1 H 7.162 0.030 1 948 90 90 TRP HE1 H 10.915 0.030 1 949 90 90 TRP HE3 H 6.946 0.030 1 950 90 90 TRP HH2 H 6.656 0.030 1 951 90 90 TRP HZ2 H 6.739 0.030 1 952 90 90 TRP HZ3 H 6.542 0.030 1 953 90 90 TRP C C 177.880 0.300 1 954 90 90 TRP CA C 61.704 0.300 1 955 90 90 TRP CB C 29.594 0.300 1 956 90 90 TRP CD1 C 126.273 0.300 1 957 90 90 TRP CE3 C 118.626 0.300 1 958 90 90 TRP CH2 C 124.713 0.300 1 959 90 90 TRP CZ2 C 113.872 0.300 1 960 90 90 TRP CZ3 C 120.375 0.300 1 961 90 90 TRP N N 117.617 0.300 1 962 90 90 TRP NE1 N 130.716 0.300 1 963 91 91 ILE H H 7.654 0.030 1 964 91 91 ILE HA H 3.275 0.030 1 965 91 91 ILE HB H 1.744 0.030 1 966 91 91 ILE HD1 H 0.635 0.030 1 967 91 91 ILE HG12 H 1.325 0.030 2 968 91 91 ILE HG13 H 0.807 0.030 2 969 91 91 ILE HG2 H 0.734 0.030 1 970 91 91 ILE C C 177.138 0.300 1 971 91 91 ILE CA C 65.001 0.300 1 972 91 91 ILE CB C 36.913 0.300 1 973 91 91 ILE CD1 C 13.524 0.300 1 974 91 91 ILE CG1 C 27.911 0.300 1 975 91 91 ILE CG2 C 17.306 0.300 1 976 91 91 ILE N N 114.248 0.300 1 977 92 92 SER H H 8.055 0.030 1 978 92 92 SER HA H 4.045 0.030 1 979 92 92 SER HB2 H 3.906 0.030 1 980 92 92 SER HB3 H 3.906 0.030 1 981 92 92 SER C C 177.204 0.300 1 982 92 92 SER CA C 61.923 0.300 1 983 92 92 SER CB C 62.767 0.300 1 984 92 92 SER N N 114.018 0.300 1 985 93 93 ILE H H 7.926 0.030 1 986 93 93 ILE HA H 3.795 0.030 1 987 93 93 ILE HB H 1.678 0.030 1 988 93 93 ILE HD1 H 0.516 0.030 1 989 93 93 ILE HG12 H 1.054 0.030 2 990 93 93 ILE HG13 H 1.546 0.030 2 991 93 93 ILE HG2 H 0.702 0.030 1 992 93 93 ILE C C 178.947 0.300 1 993 93 93 ILE CA C 64.825 0.300 1 994 93 93 ILE CB C 37.693 0.300 1 995 93 93 ILE CD1 C 14.528 0.300 1 996 93 93 ILE CG1 C 29.390 0.300 1 997 93 93 ILE CG2 C 16.995 0.300 1 998 93 93 ILE N N 120.974 0.300 1 999 94 94 LEU H H 7.678 0.030 1 1000 94 94 LEU HA H 3.634 0.030 1 1001 94 94 LEU HB2 H 1.836 0.030 2 1002 94 94 LEU HB3 H 0.965 0.030 2 1003 94 94 LEU HD1 H 0.606 0.030 1 1004 94 94 LEU HD2 H -0.085 0.030 1 1005 94 94 LEU HG H 1.645 0.030 1 1006 94 94 LEU C C 178.551 0.300 1 1007 94 94 LEU CA C 57.861 0.300 1 1008 94 94 LEU CB C 42.356 0.300 1 1009 94 94 LEU CD1 C 26.102 0.300 2 1010 94 94 LEU CD2 C 21.416 0.300 2 1011 94 94 LEU CG C 27.130 0.300 1 1012 94 94 LEU N N 121.223 0.300 1 1013 95 95 LEU H H 8.954 0.030 1 1014 95 95 LEU HA H 4.037 0.030 1 1015 95 95 LEU HB2 H 1.895 0.030 2 1016 95 95 LEU HB3 H 1.383 0.030 2 1017 95 95 LEU HD1 H 0.852 0.030 1 1018 95 95 LEU HD2 H 0.942 0.030 1 1019 95 95 LEU HG H 1.764 0.030 1 1020 95 95 LEU C C 180.858 0.300 1 1021 95 95 LEU CA C 58.194 0.300 1 1022 95 95 LEU CB C 41.286 0.300 1 1023 95 95 LEU CD1 C 26.020 0.300 2 1024 95 95 LEU CD2 C 22.721 0.300 2 1025 95 95 LEU CG C 26.911 0.300 1 1026 95 95 LEU N N 118.177 0.300 1 1027 96 96 ASN H H 8.235 0.030 1 1028 96 96 ASN HA H 4.445 0.030 1 1029 96 96 ASN HB2 H 2.915 0.030 2 1030 96 96 ASN HB3 H 2.764 0.030 2 1031 96 96 ASN HD21 H 7.686 0.030 2 1032 96 96 ASN HD22 H 6.941 0.030 2 1033 96 96 ASN C C 177.901 0.300 1 1034 96 96 ASN CA C 56.347 0.300 1 1035 96 96 ASN CB C 38.105 0.300 1 1036 96 96 ASN N N 117.502 0.300 1 1037 96 96 ASN ND2 N 113.164 0.300 1 1038 97 97 ALA H H 7.756 0.030 1 1039 97 97 ALA HA H 4.305 0.030 1 1040 97 97 ALA HB H 1.785 0.030 1 1041 97 97 ALA C C 180.315 0.300 1 1042 97 97 ALA CA C 54.906 0.300 1 1043 97 97 ALA CB C 19.214 0.300 1 1044 97 97 ALA N N 123.457 0.300 1 1045 98 98 LEU H H 8.335 0.030 1 1046 98 98 LEU HA H 4.055 0.030 1 1047 98 98 LEU HB2 H 1.897 0.030 2 1048 98 98 LEU HB3 H 1.651 0.030 2 1049 98 98 LEU HD1 H 0.819 0.030 1 1050 98 98 LEU HD2 H 0.859 0.030 1 1051 98 98 LEU HG H 1.812 0.030 1 1052 98 98 LEU C C 179.542 0.300 1 1053 98 98 LEU CA C 57.578 0.300 1 1054 98 98 LEU CB C 42.174 0.300 1 1055 98 98 LEU CD1 C 25.691 0.300 2 1056 98 98 LEU CD2 C 24.073 0.300 2 1057 98 98 LEU CG C 26.905 0.300 1 1058 98 98 LEU N N 119.610 0.300 1 1059 99 99 LYS H H 7.969 0.030 1 1060 99 99 LYS HA H 4.203 0.030 1 1061 99 99 LYS HB2 H 1.978 0.030 1 1062 99 99 LYS HB3 H 1.978 0.030 1 1063 99 99 LYS HD2 H 1.715 0.030 1 1064 99 99 LYS HD3 H 1.715 0.030 1 1065 99 99 LYS HE2 H 2.978 0.030 1 1066 99 99 LYS HE3 H 2.978 0.030 1 1067 99 99 LYS HG2 H 1.603 0.030 2 1068 99 99 LYS HG3 H 1.515 0.030 2 1069 99 99 LYS C C 178.392 0.300 1 1070 99 99 LYS CA C 58.563 0.300 1 1071 99 99 LYS CB C 32.267 0.300 1 1072 99 99 LYS CD C 29.344 0.300 1 1073 99 99 LYS CE C 42.051 0.300 1 1074 99 99 LYS CG C 24.869 0.300 1 1075 99 99 LYS N N 119.323 0.300 1 1076 100 100 SER H H 7.854 0.030 1 1077 100 100 SER HA H 4.404 0.030 1 1078 100 100 SER HB2 H 4.015 0.030 1 1079 100 100 SER HB3 H 4.015 0.030 1 1080 100 100 SER C C 175.449 0.300 1 1081 100 100 SER CA C 60.076 0.300 1 1082 100 100 SER CB C 63.600 0.300 1 1083 100 100 SER N N 114.116 0.300 1 1084 101 101 GLN H H 7.863 0.030 1 1085 101 101 GLN HA H 4.294 0.030 1 1086 101 101 GLN HB2 H 2.236 0.030 2 1087 101 101 GLN HB3 H 2.134 0.030 2 1088 101 101 GLN HE21 H 6.911 0.030 2 1089 101 101 GLN HE22 H 7.579 0.030 2 1090 101 101 GLN HG2 H 2.416 0.030 1 1091 101 101 GLN HG3 H 2.416 0.030 1 1092 101 101 GLN C C 176.613 0.300 1 1093 101 101 GLN CA C 57.121 0.300 1 1094 101 101 GLN CB C 29.761 0.300 1 1095 101 101 GLN CG C 34.241 0.300 1 1096 101 101 GLN N N 120.923 0.300 1 1097 101 101 GLN NE2 N 111.506 0.300 1 1098 102 102 SER H H 8.170 0.030 1 1099 102 102 SER HA H 4.445 0.030 1 1100 102 102 SER HB2 H 3.948 0.030 1 1101 102 102 SER HB3 H 3.948 0.030 1 1102 102 102 SER C C 175.030 0.300 1 1103 102 102 SER CA C 59.162 0.300 1 1104 102 102 SER CB C 63.466 0.300 1 1105 102 102 SER N N 115.689 0.300 1 1106 103 103 LEU H H 8.111 0.030 1 1107 103 103 LEU HA H 4.400 0.030 1 1108 103 103 LEU HB2 H 1.654 0.030 2 1109 103 103 LEU HB3 H 1.766 0.030 2 1110 103 103 LEU HD1 H 0.942 0.030 1 1111 103 103 LEU HD2 H 0.886 0.030 1 1112 103 103 LEU HG H 1.715 0.030 1 1113 103 103 LEU C C 178.263 0.300 1 1114 103 103 LEU CA C 55.908 0.300 1 1115 103 103 LEU CB C 42.215 0.300 1 1116 103 103 LEU CD1 C 25.115 0.300 2 1117 103 103 LEU CD2 C 23.215 0.300 2 1118 103 103 LEU CG C 27.006 0.300 1 1119 103 103 LEU N N 123.252 0.300 1 1120 104 104 THR H H 8.064 0.030 1 1121 104 104 THR HA H 4.354 0.030 1 1122 104 104 THR HB H 4.294 0.030 1 1123 104 104 THR HG2 H 1.230 0.030 1 1124 104 104 THR C C 175.092 0.300 1 1125 104 104 THR CA C 62.368 0.300 1 1126 104 104 THR CB C 69.673 0.300 1 1127 104 104 THR CG2 C 21.611 0.300 1 1128 104 104 THR N N 113.441 0.300 1 1129 105 105 SER H H 8.231 0.030 1 1130 105 105 SER C C 177.959 0.300 1 1131 105 105 SER CA C 58.406 0.300 1 1132 105 105 SER CB C 63.507 0.300 1 1133 105 105 SER N N 117.638 0.300 1 1134 106 106 GLN HA H 4.365 0.030 1 1135 106 106 GLN HB2 H 2.109 0.030 1 1136 106 106 GLN HB3 H 2.109 0.030 1 1137 106 106 GLN C C 176.322 0.300 1 1138 106 106 GLN CA C 56.189 0.300 1 1139 106 106 GLN CB C 29.226 0.300 1 1140 106 106 GLN CG C 33.912 0.300 1 1141 107 107 SER H H 8.287 0.030 1 1142 107 107 SER HA H 4.404 0.030 1 1143 107 107 SER HB2 H 3.879 0.030 2 1144 107 107 SER C C 174.687 0.300 1 1145 107 107 SER CA C 58.722 0.300 1 1146 107 107 SER CB C 63.713 0.300 1 1147 107 107 SER N N 116.578 0.300 1 1148 108 108 GLN H H 8.354 0.030 1 1149 108 108 GLN HA H 4.349 0.030 1 1150 108 108 GLN HB2 H 2.163 0.030 2 1151 108 108 GLN HB3 H 2.006 0.030 2 1152 108 108 GLN HE21 H 6.855 0.030 2 1153 108 108 GLN HE22 H 7.518 0.030 2 1154 108 108 GLN HG2 H 1.972 0.030 1 1155 108 108 GLN HG3 H 1.972 0.030 1 1156 108 108 GLN C C 175.798 0.300 1 1157 108 108 GLN CA C 55.820 0.300 1 1158 108 108 GLN CB C 29.432 0.300 1 1159 108 108 GLN CG C 33.665 0.300 1 1160 108 108 GLN N N 122.015 0.300 1 1161 108 108 GLN NE2 N 112.553 0.300 1 1162 109 109 ALA H H 8.301 0.030 1 1163 109 109 ALA HA H 4.345 0.030 1 1164 109 109 ALA HB H 1.409 0.030 1 1165 109 109 ALA C C 177.749 0.300 1 1166 109 109 ALA CA C 52.672 0.300 1 1167 109 109 ALA CB C 19.237 0.300 1 1168 109 109 ALA N N 125.243 0.300 1 1169 110 110 SER H H 8.290 0.030 1 1170 110 110 SER HA H 4.459 0.030 1 1171 110 110 SER HB2 H 3.879 0.030 1 1172 110 110 SER HB3 H 3.879 0.030 1 1173 110 110 SER C C 174.593 0.300 1 1174 110 110 SER CA C 58.248 0.300 1 1175 110 110 SER CB C 63.918 0.300 1 1176 110 110 SER N N 115.148 0.300 1 1177 111 111 GLY H H 8.199 0.030 1 1178 111 111 GLY HA2 H 4.167 0.030 2 1179 111 111 GLY HA3 H 4.094 0.030 2 1180 111 111 GLY C C 171.782 0.300 1 1181 111 111 GLY CA C 44.652 0.300 1 1182 111 111 GLY N N 110.586 0.300 1 1183 112 112 PRO HA H 4.471 0.030 1 1184 112 112 PRO HB2 H 2.001 0.030 1 1185 112 112 PRO HB3 H 2.001 0.030 1 1186 112 112 PRO HD2 H 3.627 0.030 1 1187 112 112 PRO HD3 H 3.627 0.030 1 1188 112 112 PRO HG2 H 2.014 0.030 1 1189 112 112 PRO HG3 H 2.014 0.030 1 1190 112 112 PRO CA C 63.154 0.300 1 1191 112 112 PRO CB C 32.314 0.300 1 1192 112 112 PRO CD C 49.737 0.300 1 1193 112 112 PRO CG C 27.141 0.300 1 stop_ save_