data_10279 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Docking protein 2 from human ; _BMRB_accession_number 10279 _BMRB_flat_file_name bmr10279.str _Entry_type new _Submission_date 2008-12-15 _Accession_date 2008-12-15 _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" 686 "13C chemical shifts" 512 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-14 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PH domain of Docking protein 2 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 'Docking protein 2' _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 127 _Mol_residue_sequence ; GSSGSSGMGDGAVKQGFLYL QQQQTFGKKWRRFGASLYGG SDCALARLELQEGPEKPRRC EAARKVIRLSDCLRVAEAGG EASSPRDTSAFFLETKERLY LLAAPAAERGDWVQAICLLA FSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLY 10 ASP 11 GLY 12 ALA 13 VAL 14 LYS 15 GLN 16 GLY 17 PHE 18 LEU 19 TYR 20 LEU 21 GLN 22 GLN 23 GLN 24 GLN 25 THR 26 PHE 27 GLY 28 LYS 29 LYS 30 TRP 31 ARG 32 ARG 33 PHE 34 GLY 35 ALA 36 SER 37 LEU 38 TYR 39 GLY 40 GLY 41 SER 42 ASP 43 CYS 44 ALA 45 LEU 46 ALA 47 ARG 48 LEU 49 GLU 50 LEU 51 GLN 52 GLU 53 GLY 54 PRO 55 GLU 56 LYS 57 PRO 58 ARG 59 ARG 60 CYS 61 GLU 62 ALA 63 ALA 64 ARG 65 LYS 66 VAL 67 ILE 68 ARG 69 LEU 70 SER 71 ASP 72 CYS 73 LEU 74 ARG 75 VAL 76 ALA 77 GLU 78 ALA 79 GLY 80 GLY 81 GLU 82 ALA 83 SER 84 SER 85 PRO 86 ARG 87 ASP 88 THR 89 SER 90 ALA 91 PHE 92 PHE 93 LEU 94 GLU 95 THR 96 LYS 97 GLU 98 ARG 99 LEU 100 TYR 101 LEU 102 LEU 103 ALA 104 ALA 105 PRO 106 ALA 107 ALA 108 GLU 109 ARG 110 GLY 111 ASP 112 TRP 113 VAL 114 GLN 115 ALA 116 ILE 117 CYS 118 LEU 119 LEU 120 ALA 121 PHE 122 SER 123 GLY 124 PRO 125 SER 126 SER 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2D9W "Solution Structure Of The Ph Domain Of Docking Protein 2 From Human" 100.00 127 100.00 100.00 1.41e-83 DBJ BAF84815 "unnamed protein product [Homo sapiens]" 91.34 412 99.14 99.14 6.47e-73 DBJ BAI47087 "docking protein 2, 56kDa [synthetic construct]" 91.34 412 99.14 99.14 7.52e-73 GB AAC13265 "docking protein [Homo sapiens]" 91.34 412 99.14 99.14 5.22e-73 GB AAH32623 "Docking protein 2, 56kDa [Homo sapiens]" 91.34 412 99.14 99.14 7.52e-73 GB ABM87807 "docking protein 2, 56kDa [synthetic construct]" 91.34 412 99.14 99.14 7.52e-73 GB ABM92167 "docking protein 2, 56kDa [synthetic construct]" 91.34 412 99.14 99.14 7.52e-73 GB AIC55516 "DOK2, partial [synthetic construct]" 91.34 412 99.14 99.14 7.52e-73 REF NP_003965 "docking protein 2 [Homo sapiens]" 91.34 412 99.14 99.14 7.52e-73 REF XP_002818909 "PREDICTED: docking protein 2 [Pongo abelii]" 91.34 412 99.14 99.14 5.10e-73 REF XP_003823668 "PREDICTED: docking protein 2 [Pan paniscus]" 91.34 412 99.14 99.14 5.81e-73 REF XP_004046784 "PREDICTED: docking protein 2 [Gorilla gorilla gorilla]" 91.34 412 99.14 99.14 5.56e-73 REF XP_009453218 "PREDICTED: docking protein 2 isoform X1 [Pan troglodytes]" 91.34 424 99.14 99.14 1.37e-72 SP O60496 "RecName: Full=Docking protein 2; AltName: Full=Downstream of tyrosine kinase 2; AltName: Full=p56(dok-2)" 91.34 412 99.14 99.14 7.52e-73 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 P050302-66 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 0.93 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.932 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 'Guntert, 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 6 6 SER HA H 4.458 0.030 1 2 6 6 SER HB2 H 3.893 0.030 2 3 6 6 SER C C 175.108 0.300 1 4 6 6 SER CA C 58.689 0.300 1 5 6 6 SER CB C 63.678 0.300 1 6 7 7 GLY H H 8.449 0.030 1 7 7 7 GLY HA2 H 3.965 0.030 1 8 7 7 GLY HA3 H 3.965 0.030 1 9 7 7 GLY C C 174.380 0.300 1 10 7 7 GLY CA C 45.435 0.300 1 11 7 7 GLY N N 110.792 0.300 1 12 8 8 MET H H 8.259 0.030 1 13 8 8 MET HA H 4.487 0.030 1 14 8 8 MET HB2 H 2.102 0.030 2 15 8 8 MET HB3 H 1.973 0.030 2 16 8 8 MET HE H 2.052 0.030 1 17 8 8 MET HG2 H 2.483 0.030 2 18 8 8 MET HG3 H 2.576 0.030 2 19 8 8 MET C C 176.961 0.300 1 20 8 8 MET CA C 55.565 0.300 1 21 8 8 MET CB C 32.835 0.300 1 22 8 8 MET CE C 16.952 0.300 1 23 8 8 MET CG C 32.341 0.300 1 24 8 8 MET N N 119.639 0.300 1 25 9 9 GLY H H 8.472 0.030 1 26 9 9 GLY HA2 H 3.946 0.030 1 27 9 9 GLY HA3 H 3.946 0.030 1 28 9 9 GLY C C 174.005 0.300 1 29 9 9 GLY CA C 45.488 0.300 1 30 9 9 GLY N N 110.107 0.300 1 31 10 10 ASP H H 8.292 0.030 1 32 10 10 ASP HA H 4.636 0.030 1 33 10 10 ASP HB2 H 2.694 0.030 1 34 10 10 ASP HB3 H 2.694 0.030 1 35 10 10 ASP C C 176.768 0.300 1 36 10 10 ASP CA C 54.206 0.300 1 37 10 10 ASP CB C 41.306 0.300 1 38 10 10 ASP N N 120.370 0.300 1 39 11 11 GLY H H 8.452 0.030 1 40 11 11 GLY HA2 H 3.980 0.030 2 41 11 11 GLY HA3 H 4.022 0.030 2 42 11 11 GLY C C 174.102 0.300 1 43 11 11 GLY CA C 45.170 0.300 1 44 11 11 GLY N N 108.391 0.300 1 45 12 12 ALA H H 8.293 0.030 1 46 12 12 ALA HA H 3.777 0.030 1 47 12 12 ALA HB H 0.865 0.030 1 48 12 12 ALA C C 178.193 0.300 1 49 12 12 ALA CA C 52.759 0.300 1 50 12 12 ALA CB C 17.855 0.300 1 51 12 12 ALA N N 124.185 0.300 1 52 13 13 VAL H H 8.822 0.030 1 53 13 13 VAL HA H 3.912 0.030 1 54 13 13 VAL HB H 1.742 0.030 1 55 13 13 VAL HG1 H 0.862 0.030 1 56 13 13 VAL HG2 H 0.862 0.030 1 57 13 13 VAL C C 176.073 0.300 1 58 13 13 VAL CA C 63.100 0.300 1 59 13 13 VAL CB C 32.711 0.300 1 60 13 13 VAL CG1 C 20.990 0.300 2 61 13 13 VAL CG2 C 20.990 0.300 2 62 13 13 VAL N N 120.877 0.300 1 63 14 14 LYS H H 7.093 0.030 1 64 14 14 LYS HA H 4.169 0.030 1 65 14 14 LYS HB2 H 1.133 0.030 2 66 14 14 LYS HB3 H 0.865 0.030 2 67 14 14 LYS HD2 H -0.318 0.030 2 68 14 14 LYS HD3 H 0.702 0.030 2 69 14 14 LYS HE2 H 1.532 0.030 2 70 14 14 LYS HE3 H 1.212 0.030 2 71 14 14 LYS HG2 H 0.062 0.030 2 72 14 14 LYS HG3 H 0.842 0.030 2 73 14 14 LYS C C 173.291 0.300 1 74 14 14 LYS CA C 56.465 0.300 1 75 14 14 LYS CB C 35.960 0.300 1 76 14 14 LYS CD C 28.329 0.300 1 77 14 14 LYS CE C 39.826 0.300 1 78 14 14 LYS CG C 24.848 0.300 1 79 14 14 LYS N N 118.693 0.300 1 80 15 15 GLN H H 8.522 0.030 1 81 15 15 GLN HA H 5.542 0.030 1 82 15 15 GLN HB2 H 2.031 0.030 2 83 15 15 GLN HB3 H 1.881 0.030 2 84 15 15 GLN HE21 H 7.522 0.030 2 85 15 15 GLN HE22 H 6.828 0.030 2 86 15 15 GLN HG2 H 2.292 0.030 2 87 15 15 GLN HG3 H 2.172 0.030 2 88 15 15 GLN C C 174.992 0.300 1 89 15 15 GLN CA C 54.312 0.300 1 90 15 15 GLN CB C 33.585 0.300 1 91 15 15 GLN CG C 34.233 0.300 1 92 15 15 GLN N N 124.024 0.300 1 93 15 15 GLN NE2 N 112.354 0.300 1 94 16 16 GLY H H 8.740 0.030 1 95 16 16 GLY HA2 H 4.511 0.030 2 96 16 16 GLY HA3 H 4.064 0.030 2 97 16 16 GLY C C 171.431 0.300 1 98 16 16 GLY CA C 46.106 0.300 1 99 16 16 GLY N N 109.611 0.300 1 100 17 17 PHE H H 8.886 0.030 1 101 17 17 PHE HA H 5.466 0.030 1 102 17 17 PHE HB2 H 2.852 0.030 2 103 17 17 PHE HB3 H 2.713 0.030 2 104 17 17 PHE HD1 H 7.109 0.030 1 105 17 17 PHE HD2 H 7.109 0.030 1 106 17 17 PHE C C 174.795 0.300 1 107 17 17 PHE CA C 57.788 0.300 1 108 17 17 PHE CB C 41.315 0.300 1 109 17 17 PHE CD1 C 131.882 0.300 1 110 17 17 PHE CD2 C 131.882 0.300 1 111 17 17 PHE N N 122.684 0.300 1 112 18 18 LEU H H 8.762 0.030 1 113 18 18 LEU HA H 4.946 0.030 1 114 18 18 LEU HB2 H 1.152 0.030 2 115 18 18 LEU HB3 H 1.122 0.030 2 116 18 18 LEU HD1 H -0.178 0.030 1 117 18 18 LEU HD2 H 0.105 0.030 1 118 18 18 LEU HG H 0.621 0.030 1 119 18 18 LEU C C 175.461 0.300 1 120 18 18 LEU CA C 52.970 0.300 1 121 18 18 LEU CB C 47.945 0.300 1 122 18 18 LEU CD1 C 25.596 0.300 2 123 18 18 LEU CD2 C 22.964 0.300 2 124 18 18 LEU CG C 26.614 0.300 1 125 18 18 LEU N N 119.045 0.300 1 126 19 19 TYR H H 9.272 0.030 1 127 19 19 TYR HA H 5.682 0.030 1 128 19 19 TYR HB2 H 3.032 0.030 2 129 19 19 TYR HB3 H 2.822 0.030 2 130 19 19 TYR HD1 H 6.831 0.030 1 131 19 19 TYR HD2 H 6.831 0.030 1 132 19 19 TYR HE1 H 6.736 0.030 1 133 19 19 TYR HE2 H 6.736 0.030 1 134 19 19 TYR C C 174.829 0.300 1 135 19 19 TYR CA C 56.482 0.300 1 136 19 19 TYR CB C 41.717 0.300 1 137 19 19 TYR CD1 C 132.673 0.300 1 138 19 19 TYR CD2 C 132.673 0.300 1 139 19 19 TYR CE1 C 118.341 0.300 1 140 19 19 TYR CE2 C 118.341 0.300 1 141 19 19 TYR N N 118.024 0.300 1 142 20 20 LEU H H 9.441 0.030 1 143 20 20 LEU HA H 5.283 0.030 1 144 20 20 LEU HB2 H 1.052 0.030 2 145 20 20 LEU HB3 H 2.009 0.030 2 146 20 20 LEU HD1 H 0.932 0.030 1 147 20 20 LEU HD2 H 0.567 0.030 1 148 20 20 LEU HG H 1.424 0.030 1 149 20 20 LEU C C 175.935 0.300 1 150 20 20 LEU CA C 53.464 0.300 1 151 20 20 LEU CB C 46.570 0.300 1 152 20 20 LEU CD1 C 23.705 0.300 2 153 20 20 LEU CD2 C 25.925 0.300 2 154 20 20 LEU CG C 27.539 0.300 1 155 20 20 LEU N N 122.838 0.300 1 156 21 21 GLN H H 8.391 0.030 1 157 21 21 GLN HA H 3.791 0.030 1 158 21 21 GLN HB2 H -0.378 0.030 2 159 21 21 GLN HB3 H 1.412 0.030 2 160 21 21 GLN HE21 H 6.446 0.030 2 161 21 21 GLN HE22 H 6.863 0.030 2 162 21 21 GLN HG2 H 1.362 0.030 2 163 21 21 GLN HG3 H 0.673 0.030 2 164 21 21 GLN C C 175.157 0.300 1 165 21 21 GLN CA C 56.094 0.300 1 166 21 21 GLN CB C 28.434 0.300 1 167 21 21 GLN CG C 34.808 0.300 1 168 21 21 GLN N N 129.943 0.300 1 169 21 21 GLN NE2 N 111.984 0.300 1 170 22 22 GLN H H 8.829 0.030 1 171 22 22 GLN HA H 4.553 0.030 1 172 22 22 GLN HB2 H 1.962 0.030 1 173 22 22 GLN HB3 H 1.962 0.030 1 174 22 22 GLN HE21 H 7.039 0.030 2 175 22 22 GLN HE22 H 7.515 0.030 2 176 22 22 GLN HG2 H 2.240 0.030 2 177 22 22 GLN HG3 H 2.340 0.030 2 178 22 22 GLN C C 174.998 0.300 1 179 22 22 GLN CA C 54.912 0.300 1 180 22 22 GLN CB C 31.930 0.300 1 181 22 22 GLN CG C 34.615 0.300 1 182 22 22 GLN N N 127.199 0.300 1 183 22 22 GLN NE2 N 111.680 0.300 1 184 23 23 GLN HA H 4.142 0.030 1 185 23 23 GLN HB2 H 1.944 0.030 2 186 23 23 GLN HB3 H 2.033 0.030 2 187 23 23 GLN HE21 H 6.842 0.030 2 188 23 23 GLN HE22 H 7.552 0.030 2 189 23 23 GLN HG2 H 2.272 0.030 2 190 23 23 GLN HG3 H 2.243 0.030 2 191 23 23 GLN CA C 56.427 0.300 1 192 23 23 GLN CB C 29.227 0.300 1 193 23 23 GLN CG C 33.844 0.300 1 194 23 23 GLN NE2 N 113.071 0.300 1 195 24 24 GLN HA H 4.523 0.030 1 196 24 24 GLN HB2 H 2.142 0.030 2 197 24 24 GLN HB3 H 1.862 0.030 2 198 24 24 GLN HE21 H 7.322 0.030 2 199 24 24 GLN HE22 H 6.899 0.030 2 200 24 24 GLN HG2 H 2.233 0.030 1 201 24 24 GLN HG3 H 2.233 0.030 1 202 24 24 GLN CB C 29.759 0.300 1 203 24 24 GLN CG C 34.105 0.300 1 204 24 24 GLN NE2 N 111.731 0.300 1 205 25 25 THR HA H 3.870 0.030 1 206 25 25 THR HB H 3.872 0.030 1 207 25 25 THR HG2 H 0.875 0.030 1 208 25 25 THR CA C 65.096 0.300 1 209 25 25 THR CB C 68.924 0.300 1 210 25 25 THR CG2 C 21.804 0.300 1 211 26 26 PHE HA H 4.690 0.030 1 212 26 26 PHE HB2 H 3.231 0.030 2 213 26 26 PHE HB3 H 2.984 0.030 2 214 26 26 PHE HD1 H 7.232 0.030 1 215 26 26 PHE HD2 H 7.232 0.030 1 216 26 26 PHE HE1 H 7.330 0.030 1 217 26 26 PHE HE2 H 7.330 0.030 1 218 26 26 PHE C C 175.523 0.300 1 219 26 26 PHE CA C 57.312 0.300 1 220 26 26 PHE CB C 39.003 0.300 1 221 26 26 PHE CD1 C 131.845 0.300 1 222 26 26 PHE CD2 C 131.845 0.300 1 223 26 26 PHE CE1 C 131.571 0.300 1 224 26 26 PHE CE2 C 131.571 0.300 1 225 27 27 GLY H H 7.755 0.030 1 226 27 27 GLY HA2 H 4.172 0.030 2 227 27 27 GLY HA3 H 3.783 0.030 2 228 27 27 GLY C C 172.557 0.300 1 229 27 27 GLY CA C 44.924 0.300 1 230 27 27 GLY N N 109.216 0.300 1 231 28 28 LYS H H 8.241 0.030 1 232 28 28 LYS HA H 4.530 0.030 1 233 28 28 LYS HB2 H 1.602 0.030 2 234 28 28 LYS HB3 H 1.440 0.030 2 235 28 28 LYS HD2 H 1.472 0.030 1 236 28 28 LYS HD3 H 1.472 0.030 1 237 28 28 LYS HE2 H 2.888 0.030 1 238 28 28 LYS HE3 H 2.888 0.030 1 239 28 28 LYS HG2 H 1.166 0.030 2 240 28 28 LYS HG3 H 1.340 0.030 2 241 28 28 LYS C C 176.204 0.300 1 242 28 28 LYS CA C 55.741 0.300 1 243 28 28 LYS CB C 33.904 0.300 1 244 28 28 LYS CD C 29.297 0.300 1 245 28 28 LYS CE C 42.375 0.300 1 246 28 28 LYS CG C 25.215 0.300 1 247 28 28 LYS N N 118.743 0.300 1 248 29 29 LYS H H 8.356 0.030 1 249 29 29 LYS HA H 4.559 0.030 1 250 29 29 LYS HB2 H 1.683 0.030 2 251 29 29 LYS HB3 H 1.783 0.030 2 252 29 29 LYS HD2 H 1.702 0.030 1 253 29 29 LYS HD3 H 1.702 0.030 1 254 29 29 LYS HG2 H 1.342 0.030 2 255 29 29 LYS HG3 H 1.422 0.030 2 256 29 29 LYS C C 175.420 0.300 1 257 29 29 LYS CA C 55.406 0.300 1 258 29 29 LYS CB C 35.618 0.300 1 259 29 29 LYS CD C 29.095 0.300 1 260 29 29 LYS CE C 42.129 0.300 1 261 29 29 LYS CG C 24.938 0.300 1 262 29 29 LYS N N 121.198 0.300 1 263 30 30 TRP H H 8.891 0.030 1 264 30 30 TRP HA H 4.951 0.030 1 265 30 30 TRP HB2 H 3.072 0.030 2 266 30 30 TRP HB3 H 2.859 0.030 2 267 30 30 TRP HD1 H 7.282 0.030 1 268 30 30 TRP HE1 H 9.874 0.030 1 269 30 30 TRP HE3 H 7.143 0.030 1 270 30 30 TRP HH2 H 6.642 0.030 1 271 30 30 TRP HZ2 H 7.289 0.030 1 272 30 30 TRP HZ3 H 6.766 0.030 1 273 30 30 TRP C C 175.902 0.300 1 274 30 30 TRP CA C 56.677 0.300 1 275 30 30 TRP CB C 30.614 0.300 1 276 30 30 TRP CD1 C 128.264 0.300 1 277 30 30 TRP CE3 C 119.536 0.300 1 278 30 30 TRP CH2 C 123.696 0.300 1 279 30 30 TRP CZ2 C 114.845 0.300 1 280 30 30 TRP CZ3 C 123.581 0.300 1 281 30 30 TRP N N 123.304 0.300 1 282 30 30 TRP NE1 N 130.566 0.300 1 283 31 31 ARG H H 8.712 0.030 1 284 31 31 ARG HA H 4.820 0.030 1 285 31 31 ARG HB2 H 1.811 0.030 1 286 31 31 ARG HB3 H 1.811 0.030 1 287 31 31 ARG HD2 H 3.120 0.030 1 288 31 31 ARG HD3 H 3.120 0.030 1 289 31 31 ARG HG2 H 1.301 0.030 2 290 31 31 ARG HG3 H 1.562 0.030 2 291 31 31 ARG C C 174.026 0.300 1 292 31 31 ARG CA C 54.895 0.300 1 293 31 31 ARG CB C 34.045 0.300 1 294 31 31 ARG CD C 43.445 0.300 1 295 31 31 ARG CG C 27.406 0.300 1 296 31 31 ARG N N 123.973 0.300 1 297 32 32 ARG H H 8.820 0.030 1 298 32 32 ARG HA H 3.965 0.030 1 299 32 32 ARG HB2 H 1.617 0.030 2 300 32 32 ARG HB3 H 1.238 0.030 2 301 32 32 ARG HD2 H 2.692 0.030 2 302 32 32 ARG HD3 H 2.593 0.030 2 303 32 32 ARG HG2 H 0.523 0.030 2 304 32 32 ARG HG3 H 1.104 0.030 2 305 32 32 ARG C C 174.785 0.300 1 306 32 32 ARG CA C 56.924 0.300 1 307 32 32 ARG CB C 31.806 0.300 1 308 32 32 ARG CD C 43.362 0.300 1 309 32 32 ARG CG C 27.929 0.300 1 310 32 32 ARG N N 127.041 0.300 1 311 33 33 PHE H H 9.372 0.030 1 312 33 33 PHE HA H 4.863 0.030 1 313 33 33 PHE HB2 H 2.651 0.030 2 314 33 33 PHE HB3 H 2.932 0.030 2 315 33 33 PHE HD1 H 7.063 0.030 1 316 33 33 PHE HD2 H 7.063 0.030 1 317 33 33 PHE HE1 H 7.222 0.030 1 318 33 33 PHE HE2 H 7.222 0.030 1 319 33 33 PHE HZ H 7.169 0.030 1 320 33 33 PHE C C 176.359 0.300 1 321 33 33 PHE CA C 57.224 0.300 1 322 33 33 PHE CB C 43.385 0.300 1 323 33 33 PHE CD1 C 132.198 0.300 1 324 33 33 PHE CD2 C 132.198 0.300 1 325 33 33 PHE CE1 C 131.267 0.300 1 326 33 33 PHE CE2 C 131.267 0.300 1 327 33 33 PHE CZ C 128.943 0.300 1 328 33 33 PHE N N 125.882 0.300 1 329 34 34 GLY H H 9.160 0.030 1 330 34 34 GLY HA2 H 4.182 0.030 2 331 34 34 GLY HA3 H 3.714 0.030 2 332 34 34 GLY C C 172.920 0.300 1 333 34 34 GLY CA C 46.247 0.300 1 334 34 34 GLY N N 108.654 0.300 1 335 35 35 ALA H H 8.982 0.030 1 336 35 35 ALA HA H 5.660 0.030 1 337 35 35 ALA HB H 0.982 0.030 1 338 35 35 ALA C C 176.547 0.300 1 339 35 35 ALA CA C 50.500 0.300 1 340 35 35 ALA CB C 24.034 0.300 1 341 35 35 ALA N N 130.076 0.300 1 342 36 36 SER H H 8.852 0.030 1 343 36 36 SER HA H 5.203 0.030 1 344 36 36 SER HB2 H 3.739 0.030 2 345 36 36 SER HB3 H 3.435 0.030 2 346 36 36 SER C C 170.939 0.300 1 347 36 36 SER CA C 57.806 0.300 1 348 36 36 SER CB C 66.986 0.300 1 349 36 36 SER N N 116.620 0.300 1 350 37 37 LEU H H 8.862 0.030 1 351 37 37 LEU HA H 5.163 0.030 1 352 37 37 LEU HB2 H 1.842 0.030 2 353 37 37 LEU HB3 H 1.333 0.030 2 354 37 37 LEU HD1 H 0.977 0.030 1 355 37 37 LEU HD2 H 0.690 0.030 1 356 37 37 LEU HG H 1.292 0.030 1 357 37 37 LEU C C 173.525 0.300 1 358 37 37 LEU CA C 53.112 0.300 1 359 37 37 LEU CB C 46.077 0.300 1 360 37 37 LEU CD1 C 24.692 0.300 2 361 37 37 LEU CD2 C 27.395 0.300 2 362 37 37 LEU CG C 27.154 0.300 1 363 37 37 LEU N N 127.638 0.300 1 364 38 38 TYR H H 9.280 0.030 1 365 38 38 TYR HA H 4.820 0.030 1 366 38 38 TYR HB2 H 3.243 0.030 2 367 38 38 TYR HB3 H 2.723 0.030 2 368 38 38 TYR HD1 H 6.912 0.030 1 369 38 38 TYR HD2 H 6.912 0.030 1 370 38 38 TYR HE1 H 6.584 0.030 1 371 38 38 TYR HE2 H 6.584 0.030 1 372 38 38 TYR C C 175.430 0.300 1 373 38 38 TYR CA C 57.436 0.300 1 374 38 38 TYR CB C 42.128 0.300 1 375 38 38 TYR CD1 C 133.163 0.300 1 376 38 38 TYR CD2 C 133.163 0.300 1 377 38 38 TYR CE1 C 117.934 0.300 1 378 38 38 TYR CE2 C 117.934 0.300 1 379 38 38 TYR N N 125.215 0.300 1 380 39 39 GLY H H 8.532 0.030 1 381 39 39 GLY HA2 H 4.220 0.030 2 382 39 39 GLY HA3 H 3.941 0.030 2 383 39 39 GLY C C 172.950 0.300 1 384 39 39 GLY CA C 44.817 0.300 1 385 39 39 GLY N N 106.424 0.300 1 386 40 40 GLY H H 8.477 0.030 1 387 40 40 GLY HA2 H 4.102 0.030 2 388 40 40 GLY HA3 H 3.927 0.030 2 389 40 40 GLY C C 174.002 0.300 1 390 40 40 GLY CA C 44.694 0.300 1 391 40 40 GLY N N 106.881 0.300 1 392 41 41 SER H H 8.600 0.030 1 393 41 41 SER HA H 4.520 0.030 1 394 41 41 SER HB2 H 4.053 0.030 2 395 41 41 SER HB3 H 3.872 0.030 2 396 41 41 SER C C 174.355 0.300 1 397 41 41 SER CA C 58.565 0.300 1 398 41 41 SER CB C 64.413 0.300 1 399 41 41 SER N N 115.751 0.300 1 400 42 42 ASP H H 8.533 0.030 1 401 42 42 ASP HA H 4.560 0.030 1 402 42 42 ASP HB2 H 2.738 0.030 2 403 42 42 ASP HB3 H 2.672 0.030 2 404 42 42 ASP CA C 55.230 0.300 1 405 42 42 ASP CB C 40.648 0.300 1 406 42 42 ASP N N 119.037 0.300 1 407 43 43 CYS H H 8.152 0.030 1 408 43 43 CYS HA H 4.541 0.030 1 409 43 43 CYS HB2 H 2.893 0.030 2 410 43 43 CYS HB3 H 2.863 0.030 2 411 43 43 CYS C C 173.975 0.300 1 412 43 43 CYS CA C 58.265 0.300 1 413 43 43 CYS CB C 28.393 0.300 1 414 43 43 CYS N N 116.881 0.300 1 415 44 44 ALA H H 8.047 0.030 1 416 44 44 ALA HA H 4.395 0.030 1 417 44 44 ALA HB H 1.323 0.030 1 418 44 44 ALA C C 176.472 0.300 1 419 44 44 ALA CA C 52.688 0.300 1 420 44 44 ALA CB C 20.579 0.300 1 421 44 44 ALA N N 125.989 0.300 1 422 45 45 LEU H H 8.052 0.030 1 423 45 45 LEU HA H 4.452 0.030 1 424 45 45 LEU HB2 H 1.581 0.030 2 425 45 45 LEU HB3 H 1.532 0.030 2 426 45 45 LEU HD1 H 0.826 0.030 1 427 45 45 LEU HD2 H 0.892 0.030 1 428 45 45 LEU HG H 1.532 0.030 1 429 45 45 LEU C C 176.196 0.300 1 430 45 45 LEU CA C 53.771 0.300 1 431 45 45 LEU CB C 43.116 0.300 1 432 45 45 LEU CD1 C 23.540 0.300 2 433 45 45 LEU CD2 C 25.015 0.300 2 434 45 45 LEU CG C 27.077 0.300 1 435 45 45 LEU N N 119.889 0.300 1 436 46 46 ALA H H 8.381 0.030 1 437 46 46 ALA HA H 4.449 0.030 1 438 46 46 ALA HB H 1.461 0.030 1 439 46 46 ALA C C 179.093 0.300 1 440 46 46 ALA CA C 52.829 0.300 1 441 46 46 ALA CB C 18.687 0.300 1 442 46 46 ALA N N 125.635 0.300 1 443 47 47 ARG H H 9.012 0.030 1 444 47 47 ARG HA H 5.192 0.030 1 445 47 47 ARG HB2 H 1.490 0.030 2 446 47 47 ARG HB3 H 1.640 0.030 2 447 47 47 ARG HD2 H 3.060 0.030 2 448 47 47 ARG HD3 H 2.802 0.030 2 449 47 47 ARG HE H 8.042 0.030 1 450 47 47 ARG HG2 H 1.957 0.030 2 451 47 47 ARG HG3 H 1.302 0.030 2 452 47 47 ARG C C 171.524 0.300 1 453 47 47 ARG CA C 55.265 0.300 1 454 47 47 ARG CB C 30.970 0.300 1 455 47 47 ARG CD C 43.198 0.300 1 456 47 47 ARG CG C 27.324 0.300 1 457 47 47 ARG N N 120.048 0.300 1 458 47 47 ARG NE N 85.674 0.300 1 459 48 48 LEU H H 9.029 0.030 1 460 48 48 LEU HA H 5.221 0.030 1 461 48 48 LEU HB2 H 1.745 0.030 2 462 48 48 LEU HB3 H 1.091 0.030 2 463 48 48 LEU HD1 H 0.828 0.030 1 464 48 48 LEU HD2 H 0.559 0.030 1 465 48 48 LEU HG H 1.226 0.030 1 466 48 48 LEU C C 174.348 0.300 1 467 48 48 LEU CA C 53.253 0.300 1 468 48 48 LEU CB C 45.419 0.300 1 469 48 48 LEU CD1 C 23.869 0.300 2 470 48 48 LEU CD2 C 25.925 0.300 2 471 48 48 LEU CG C 27.305 0.300 1 472 48 48 LEU N N 123.315 0.300 1 473 49 49 GLU H H 9.473 0.030 1 474 49 49 GLU HA H 5.222 0.030 1 475 49 49 GLU HB2 H 2.051 0.030 2 476 49 49 GLU HB3 H 2.174 0.030 2 477 49 49 GLU HG2 H 2.386 0.030 2 478 49 49 GLU HG3 H 2.162 0.030 2 479 49 49 GLU C C 175.507 0.300 1 480 49 49 GLU CA C 55.159 0.300 1 481 49 49 GLU CB C 32.341 0.300 1 482 49 49 GLU CG C 37.713 0.300 1 483 49 49 GLU N N 124.751 0.300 1 484 50 50 LEU H H 9.088 0.030 1 485 50 50 LEU HA H 5.382 0.030 1 486 50 50 LEU HB2 H 1.401 0.030 2 487 50 50 LEU HB3 H 0.850 0.030 2 488 50 50 LEU HD1 H 0.243 0.030 1 489 50 50 LEU HD2 H 0.513 0.030 1 490 50 50 LEU HG H 1.216 0.030 1 491 50 50 LEU C C 175.474 0.300 1 492 50 50 LEU CA C 52.865 0.300 1 493 50 50 LEU CB C 43.239 0.300 1 494 50 50 LEU CD1 C 25.595 0.300 2 495 50 50 LEU CD2 C 23.651 0.300 2 496 50 50 LEU CG C 26.614 0.300 1 497 50 50 LEU N N 124.221 0.300 1 498 51 51 GLN H H 9.602 0.030 1 499 51 51 GLN HA H 5.095 0.030 1 500 51 51 GLN HB2 H 2.067 0.030 2 501 51 51 GLN HB3 H 2.132 0.030 2 502 51 51 GLN HE21 H 7.622 0.030 2 503 51 51 GLN HE22 H 6.862 0.030 2 504 51 51 GLN HG2 H 2.282 0.030 2 505 51 51 GLN HG3 H 2.432 0.030 2 506 51 51 GLN C C 175.306 0.300 1 507 51 51 GLN CA C 54.576 0.300 1 508 51 51 GLN CB C 32.177 0.300 1 509 51 51 GLN CG C 33.739 0.300 1 510 51 51 GLN N N 123.268 0.300 1 511 51 51 GLN NE2 N 112.561 0.300 1 512 52 52 GLU H H 9.172 0.030 1 513 52 52 GLU HA H 4.092 0.030 1 514 52 52 GLU HB2 H 2.061 0.030 2 515 52 52 GLU HB3 H 1.972 0.030 2 516 52 52 GLU HG2 H 2.175 0.030 1 517 52 52 GLU HG3 H 2.175 0.030 1 518 52 52 GLU C C 176.523 0.300 1 519 52 52 GLU CA C 57.500 0.300 1 520 52 52 GLU CB C 30.696 0.300 1 521 52 52 GLU CG C 36.865 0.300 1 522 52 52 GLU N N 128.982 0.300 1 523 53 53 GLY H H 8.644 0.030 1 524 53 53 GLY HA2 H 4.261 0.030 2 525 53 53 GLY HA3 H 3.993 0.030 2 526 53 53 GLY C C 172.550 0.300 1 527 53 53 GLY CA C 45.911 0.300 1 528 53 53 GLY N N 110.844 0.300 1 529 54 54 PRO HA H 4.392 0.030 1 530 54 54 PRO HB2 H 2.192 0.030 2 531 54 54 PRO HB3 H 2.027 0.030 2 532 54 54 PRO HD2 H 3.702 0.030 1 533 54 54 PRO HD3 H 3.702 0.030 1 534 54 54 PRO HG2 H 1.951 0.030 1 535 54 54 PRO HG3 H 1.951 0.030 1 536 54 54 PRO C C 176.828 0.300 1 537 54 54 PRO CA C 63.665 0.300 1 538 54 54 PRO CB C 32.012 0.300 1 539 54 54 PRO CD C 50.107 0.300 1 540 54 54 PRO CG C 27.159 0.300 1 541 55 55 GLU H H 8.934 0.030 1 542 55 55 GLU HA H 4.193 0.030 1 543 55 55 GLU HB2 H 2.003 0.030 1 544 55 55 GLU HB3 H 2.003 0.030 1 545 55 55 GLU HG2 H 2.202 0.030 1 546 55 55 GLU HG3 H 2.202 0.030 1 547 55 55 GLU C C 176.189 0.300 1 548 55 55 GLU CA C 57.383 0.300 1 549 55 55 GLU CB C 28.945 0.300 1 550 55 55 GLU CG C 36.207 0.300 1 551 55 55 GLU N N 120.312 0.300 1 552 56 56 LYS H H 7.937 0.030 1 553 56 56 LYS HA H 4.578 0.030 1 554 56 56 LYS HB2 H 1.822 0.030 2 555 56 56 LYS HB3 H 1.732 0.030 2 556 56 56 LYS HD2 H 1.702 0.030 1 557 56 56 LYS HD3 H 1.702 0.030 1 558 56 56 LYS HE2 H 2.985 0.030 1 559 56 56 LYS HE3 H 2.985 0.030 1 560 56 56 LYS HG2 H 1.419 0.030 2 561 56 56 LYS HG3 H 1.341 0.030 2 562 56 56 LYS C C 174.295 0.300 1 563 56 56 LYS CA C 54.171 0.300 1 564 56 56 LYS CB C 32.555 0.300 1 565 56 56 LYS CD C 29.119 0.300 1 566 56 56 LYS CE C 41.230 0.300 1 567 56 56 LYS CG C 24.579 0.300 1 568 56 56 LYS N N 122.008 0.300 1 569 57 57 PRO HA H 4.370 0.030 1 570 57 57 PRO HB2 H 2.286 0.030 2 571 57 57 PRO HB3 H 1.892 0.030 2 572 57 57 PRO HD2 H 3.622 0.030 2 573 57 57 PRO HD3 H 3.790 0.030 2 574 57 57 PRO HG2 H 2.000 0.030 1 575 57 57 PRO HG3 H 2.000 0.030 1 576 57 57 PRO CA C 63.431 0.300 1 577 57 57 PRO CB C 32.072 0.300 1 578 57 57 PRO CD C 50.622 0.300 1 579 57 57 PRO CG C 27.539 0.300 1 580 58 58 ARG H H 8.310 0.030 1 581 58 58 ARG HA H 4.295 0.030 1 582 58 58 ARG HB2 H 1.802 0.030 2 583 58 58 ARG HB3 H 1.882 0.030 2 584 58 58 ARG HD2 H 3.193 0.030 1 585 58 58 ARG HD3 H 3.193 0.030 1 586 58 58 ARG HG2 H 1.622 0.030 1 587 58 58 ARG HG3 H 1.622 0.030 1 588 58 58 ARG CA C 56.570 0.300 1 589 58 58 ARG CB C 30.860 0.300 1 590 58 58 ARG CD C 43.385 0.300 1 591 58 58 ARG CG C 27.153 0.300 1 592 58 58 ARG N N 120.045 0.300 1 593 60 60 CYS HA H 4.482 0.030 1 594 60 60 CYS HB2 H 2.966 0.030 1 595 60 60 CYS HB3 H 2.966 0.030 1 596 60 60 CYS CA C 58.621 0.300 1 597 60 60 CYS CB C 28.267 0.300 1 598 61 61 GLU HA H 4.226 0.030 1 599 61 61 GLU HB2 H 2.062 0.030 1 600 61 61 GLU HB3 H 2.062 0.030 1 601 61 61 GLU HG2 H 2.282 0.030 1 602 61 61 GLU HG3 H 2.282 0.030 1 603 61 61 GLU C C 176.299 0.300 1 604 61 61 GLU CA C 57.100 0.300 1 605 61 61 GLU CB C 29.873 0.300 1 606 61 61 GLU CG C 36.371 0.300 1 607 62 62 ALA H H 8.282 0.030 1 608 62 62 ALA HA H 4.302 0.030 1 609 62 62 ALA HB H 1.386 0.030 1 610 62 62 ALA C C 177.277 0.300 1 611 62 62 ALA CA C 52.512 0.300 1 612 62 62 ALA CB C 19.592 0.300 1 613 62 62 ALA N N 124.386 0.300 1 614 63 63 ALA H H 8.399 0.030 1 615 63 63 ALA HA H 4.375 0.030 1 616 63 63 ALA HB H 1.453 0.030 1 617 63 63 ALA C C 176.843 0.300 1 618 63 63 ALA CA C 52.658 0.300 1 619 63 63 ALA CB C 19.592 0.300 1 620 63 63 ALA N N 123.892 0.300 1 621 64 64 ARG H H 8.152 0.030 1 622 64 64 ARG HA H 5.008 0.030 1 623 64 64 ARG HB2 H 1.732 0.030 1 624 64 64 ARG HB3 H 1.732 0.030 1 625 64 64 ARG HD2 H 3.162 0.030 1 626 64 64 ARG HD3 H 3.162 0.030 1 627 64 64 ARG HG2 H 1.592 0.030 2 628 64 64 ARG HG3 H 1.472 0.030 2 629 64 64 ARG C C 175.594 0.300 1 630 64 64 ARG CA C 55.282 0.300 1 631 64 64 ARG CB C 32.506 0.300 1 632 64 64 ARG CD C 43.609 0.300 1 633 64 64 ARG CG C 27.305 0.300 1 634 64 64 ARG N N 119.787 0.300 1 635 65 65 LYS H H 8.945 0.030 1 636 65 65 LYS HA H 4.602 0.030 1 637 65 65 LYS HB2 H 1.575 0.030 2 638 65 65 LYS HB3 H 1.622 0.030 2 639 65 65 LYS HD2 H 1.542 0.030 2 640 65 65 LYS HD3 H 1.403 0.030 2 641 65 65 LYS HE2 H 2.917 0.030 1 642 65 65 LYS HE3 H 2.917 0.030 1 643 65 65 LYS HG2 H 1.266 0.030 1 644 65 65 LYS HG3 H 1.266 0.030 1 645 65 65 LYS C C 174.657 0.300 1 646 65 65 LYS CA C 54.948 0.300 1 647 65 65 LYS CB C 34.068 0.300 1 648 65 65 LYS CD C 28.640 0.300 1 649 65 65 LYS CE C 42.129 0.300 1 650 65 65 LYS CG C 24.363 0.300 1 651 65 65 LYS N N 124.171 0.300 1 652 66 66 VAL H H 8.672 0.030 1 653 66 66 VAL HA H 4.532 0.030 1 654 66 66 VAL HB H 1.961 0.030 1 655 66 66 VAL HG1 H 0.792 0.030 1 656 66 66 VAL HG2 H 0.834 0.030 1 657 66 66 VAL C C 175.078 0.300 1 658 66 66 VAL CA C 61.865 0.300 1 659 66 66 VAL CB C 33.835 0.300 1 660 66 66 VAL CG1 C 21.695 0.300 2 661 66 66 VAL CG2 C 20.955 0.300 2 662 66 66 VAL N N 124.380 0.300 1 663 67 67 ILE H H 9.071 0.030 1 664 67 67 ILE HA H 4.142 0.030 1 665 67 67 ILE HB H 1.552 0.030 1 666 67 67 ILE HD1 H -0.042 0.030 1 667 67 67 ILE HG12 H 0.405 0.030 2 668 67 67 ILE HG13 H 1.052 0.030 2 669 67 67 ILE HG2 H 0.532 0.030 1 670 67 67 ILE C C 175.819 0.300 1 671 67 67 ILE CA C 60.383 0.300 1 672 67 67 ILE CB C 39.908 0.300 1 673 67 67 ILE CD1 C 13.201 0.300 1 674 67 67 ILE CG1 C 27.112 0.300 1 675 67 67 ILE CG2 C 17.371 0.300 1 676 67 67 ILE N N 129.537 0.300 1 677 68 68 ARG H H 9.203 0.030 1 678 68 68 ARG HA H 4.198 0.030 1 679 68 68 ARG HB2 H 1.979 0.030 2 680 68 68 ARG HB3 H 1.882 0.030 2 681 68 68 ARG HD2 H 3.212 0.030 1 682 68 68 ARG HD3 H 3.212 0.030 1 683 68 68 ARG HG2 H 1.780 0.030 2 684 68 68 ARG HG3 H 1.512 0.030 2 685 68 68 ARG C C 177.769 0.300 1 686 68 68 ARG CA C 56.835 0.300 1 687 68 68 ARG CB C 29.832 0.300 1 688 68 68 ARG CD C 43.635 0.300 1 689 68 68 ARG CG C 27.685 0.300 1 690 68 68 ARG N N 128.484 0.300 1 691 69 69 LEU H H 8.212 0.030 1 692 69 69 LEU HA H 4.221 0.030 1 693 69 69 LEU HB2 H 1.572 0.030 2 694 69 69 LEU HB3 H 1.252 0.030 2 695 69 69 LEU HD1 H 0.852 0.030 1 696 69 69 LEU HD2 H 0.692 0.030 1 697 69 69 LEU HG H 1.492 0.030 1 698 69 69 LEU C C 178.996 0.300 1 699 69 69 LEU CA C 57.136 0.300 1 700 69 69 LEU CB C 39.455 0.300 1 701 69 69 LEU CD1 C 27.077 0.300 2 702 69 69 LEU CD2 C 22.137 0.300 2 703 69 69 LEU CG C 27.215 0.300 1 704 69 69 LEU N N 123.807 0.300 1 705 70 70 SER H H 8.823 0.030 1 706 70 70 SER HA H 4.331 0.030 1 707 70 70 SER HB2 H 4.053 0.030 2 708 70 70 SER HB3 H 3.883 0.030 2 709 70 70 SER C C 175.076 0.300 1 710 70 70 SER CA C 60.329 0.300 1 711 70 70 SER CB C 62.362 0.300 1 712 70 70 SER N N 115.162 0.300 1 713 71 71 ASP H H 7.602 0.030 1 714 71 71 ASP HA H 4.820 0.030 1 715 71 71 ASP HB2 H 2.972 0.030 2 716 71 71 ASP HB3 H 3.027 0.030 2 717 71 71 ASP C C 176.478 0.300 1 718 71 71 ASP CA C 54.241 0.300 1 719 71 71 ASP CB C 41.347 0.300 1 720 71 71 ASP N N 119.590 0.300 1 721 72 72 CYS H H 7.715 0.030 1 722 72 72 CYS HA H 4.372 0.030 1 723 72 72 CYS HB2 H 2.613 0.030 2 724 72 72 CYS HB3 H 2.881 0.030 2 725 72 72 CYS C C 173.690 0.300 1 726 72 72 CYS CA C 60.836 0.300 1 727 72 72 CYS CB C 27.655 0.300 1 728 72 72 CYS N N 118.346 0.300 1 729 73 73 LEU H H 9.472 0.030 1 730 73 73 LEU HA H 4.593 0.030 1 731 73 73 LEU HB2 H 1.550 0.030 2 732 73 73 LEU HB3 H 1.501 0.030 2 733 73 73 LEU HD1 H 0.802 0.030 1 734 73 73 LEU HD2 H 0.863 0.030 1 735 73 73 LEU HG H 1.632 0.030 1 736 73 73 LEU C C 177.562 0.300 1 737 73 73 LEU CA C 55.724 0.300 1 738 73 73 LEU CB C 43.774 0.300 1 739 73 73 LEU CD1 C 25.596 0.300 2 740 73 73 LEU CD2 C 22.764 0.300 2 741 73 73 LEU CG C 27.453 0.300 1 742 73 73 LEU N N 124.752 0.300 1 743 74 74 ARG H H 7.658 0.030 1 744 74 74 ARG HA H 4.592 0.030 1 745 74 74 ARG HB2 H 1.851 0.030 2 746 74 74 ARG HB3 H 1.902 0.030 2 747 74 74 ARG HD2 H 3.165 0.030 1 748 74 74 ARG HD3 H 3.165 0.030 1 749 74 74 ARG HG2 H 1.455 0.030 2 750 74 74 ARG HG3 H 1.562 0.030 2 751 74 74 ARG C C 173.605 0.300 1 752 74 74 ARG CA C 56.465 0.300 1 753 74 74 ARG CB C 34.068 0.300 1 754 74 74 ARG CD C 43.445 0.300 1 755 74 74 ARG CG C 27.588 0.300 1 756 74 74 ARG N N 115.565 0.300 1 757 75 75 VAL H H 8.622 0.030 1 758 75 75 VAL HA H 5.170 0.030 1 759 75 75 VAL HB H 2.212 0.030 1 760 75 75 VAL HG1 H 1.083 0.030 1 761 75 75 VAL HG2 H 1.042 0.030 1 762 75 75 VAL C C 173.985 0.300 1 763 75 75 VAL CA C 60.930 0.300 1 764 75 75 VAL CB C 35.073 0.300 1 765 75 75 VAL CG1 C 21.985 0.300 2 766 75 75 VAL CG2 C 21.329 0.300 2 767 75 75 VAL N N 124.278 0.300 1 768 76 76 ALA H H 8.272 0.030 1 769 76 76 ALA HA H 4.648 0.030 1 770 76 76 ALA HB H 1.362 0.030 1 771 76 76 ALA C C 175.630 0.300 1 772 76 76 ALA CA C 51.294 0.300 1 773 76 76 ALA CB C 22.759 0.300 1 774 76 76 ALA N N 126.015 0.300 1 775 77 77 GLU H H 9.184 0.030 1 776 77 77 GLU HA H 4.060 0.030 1 777 77 77 GLU HB2 H 2.061 0.030 2 778 77 77 GLU HB3 H 2.004 0.030 2 779 77 77 GLU HG2 H 2.322 0.030 2 780 77 77 GLU HG3 H 2.164 0.030 2 781 77 77 GLU C C 174.949 0.300 1 782 77 77 GLU CA C 58.424 0.300 1 783 77 77 GLU CB C 30.161 0.300 1 784 77 77 GLU CG C 37.111 0.300 1 785 77 77 GLU N N 120.223 0.300 1 786 78 78 ALA H H 7.985 0.030 1 787 78 78 ALA HA H 4.776 0.030 1 788 78 78 ALA HB H 1.148 0.030 1 789 78 78 ALA C C 177.250 0.300 1 790 78 78 ALA CA C 50.888 0.300 1 791 78 78 ALA CB C 20.851 0.300 1 792 78 78 ALA N N 125.143 0.300 1 793 79 79 GLY H H 8.604 0.030 1 794 79 79 GLY HA2 H 4.327 0.030 2 795 79 79 GLY HA3 H 3.963 0.030 2 796 79 79 GLY C C 175.360 0.300 1 797 79 79 GLY CA C 44.925 0.300 1 798 79 79 GLY N N 109.420 0.300 1 799 80 80 GLY H H 8.649 0.030 1 800 80 80 GLY HA2 H 3.962 0.030 1 801 80 80 GLY HA3 H 3.962 0.030 1 802 80 80 GLY C C 175.052 0.300 1 803 80 80 GLY CA C 45.955 0.300 1 804 80 80 GLY N N 108.295 0.300 1 805 81 81 GLU H H 8.921 0.030 1 806 81 81 GLU HA H 4.298 0.030 1 807 81 81 GLU HB2 H 2.133 0.030 2 808 81 81 GLU HB3 H 2.002 0.030 2 809 81 81 GLU HG2 H 2.341 0.030 1 810 81 81 GLU HG3 H 2.341 0.030 1 811 81 81 GLU C C 176.532 0.300 1 812 81 81 GLU CA C 57.118 0.300 1 813 81 81 GLU CB C 28.599 0.300 1 814 81 81 GLU CG C 35.878 0.300 1 815 81 81 GLU N N 121.170 0.300 1 816 82 82 ALA H H 8.032 0.030 1 817 82 82 ALA HA H 4.371 0.030 1 818 82 82 ALA HB H 1.382 0.030 1 819 82 82 ALA C C 177.160 0.300 1 820 82 82 ALA CA C 52.653 0.300 1 821 82 82 ALA CB C 19.304 0.300 1 822 82 82 ALA N N 124.988 0.300 1 823 83 83 SER H H 8.319 0.030 1 824 83 83 SER HA H 4.331 0.030 1 825 83 83 SER HB2 H 3.974 0.030 1 826 83 83 SER HB3 H 3.974 0.030 1 827 83 83 SER C C 174.045 0.300 1 828 83 83 SER CA C 58.053 0.300 1 829 83 83 SER CB C 63.184 0.300 1 830 83 83 SER N N 114.181 0.300 1 831 84 84 SER H H 7.823 0.030 1 832 84 84 SER HA H 3.194 0.030 1 833 84 84 SER HB2 H 2.846 0.030 2 834 84 84 SER HB3 H 2.703 0.030 2 835 84 84 SER C C 171.072 0.300 1 836 84 84 SER CA C 57.206 0.300 1 837 84 84 SER CB C 61.622 0.300 1 838 84 84 SER N N 117.302 0.300 1 839 85 85 PRO HA H 3.922 0.030 1 840 85 85 PRO HB2 H 0.813 0.030 2 841 85 85 PRO HB3 H 1.833 0.030 2 842 85 85 PRO HD2 H 1.895 0.030 2 843 85 85 PRO HD3 H 1.162 0.030 2 844 85 85 PRO HG2 H 0.382 0.030 2 845 85 85 PRO HG3 H 1.042 0.030 2 846 85 85 PRO CA C 62.691 0.300 1 847 85 85 PRO CB C 31.515 0.300 1 848 85 85 PRO CD C 48.683 0.300 1 849 85 85 PRO CG C 27.077 0.300 1 850 86 86 ARG HA H 3.882 0.030 1 851 86 86 ARG HB2 H 1.612 0.030 2 852 86 86 ARG HB3 H 1.715 0.030 2 853 86 86 ARG HD2 H 3.160 0.030 1 854 86 86 ARG HD3 H 3.160 0.030 1 855 86 86 ARG HG2 H 1.612 0.030 2 856 86 86 ARG HG3 H 1.562 0.030 2 857 86 86 ARG C C 175.712 0.300 1 858 86 86 ARG CA C 57.877 0.300 1 859 86 86 ARG CB C 29.791 0.300 1 860 86 86 ARG CD C 43.280 0.300 1 861 86 86 ARG CG C 26.583 0.300 1 862 87 87 ASP H H 8.903 0.030 1 863 87 87 ASP HA H 4.342 0.030 1 864 87 87 ASP HB2 H 2.992 0.030 2 865 87 87 ASP HB3 H 2.952 0.030 2 866 87 87 ASP C C 175.723 0.300 1 867 87 87 ASP CA C 56.377 0.300 1 868 87 87 ASP CB C 39.208 0.300 1 869 87 87 ASP N N 117.520 0.300 1 870 88 88 THR H H 7.776 0.030 1 871 88 88 THR HA H 5.101 0.030 1 872 88 88 THR HB H 3.603 0.030 1 873 88 88 THR HG2 H 0.602 0.030 1 874 88 88 THR C C 173.825 0.300 1 875 88 88 THR CA C 60.154 0.300 1 876 88 88 THR CB C 72.702 0.300 1 877 88 88 THR CG2 C 20.695 0.300 1 878 88 88 THR N N 108.770 0.300 1 879 89 89 SER H H 9.006 0.030 1 880 89 89 SER HA H 4.718 0.030 1 881 89 89 SER HB2 H 3.695 0.030 2 882 89 89 SER HB3 H 3.803 0.030 2 883 89 89 SER C C 173.728 0.300 1 884 89 89 SER CA C 57.453 0.300 1 885 89 89 SER CB C 65.611 0.300 1 886 89 89 SER N N 114.151 0.300 1 887 90 90 ALA H H 9.001 0.030 1 888 90 90 ALA HA H 5.660 0.030 1 889 90 90 ALA HB H 1.384 0.030 1 890 90 90 ALA C C 177.669 0.300 1 891 90 90 ALA CA C 51.670 0.300 1 892 90 90 ALA CB C 22.265 0.300 1 893 90 90 ALA N N 126.177 0.300 1 894 91 91 PHE H H 9.672 0.030 1 895 91 91 PHE HA H 5.039 0.030 1 896 91 91 PHE HB2 H 2.781 0.030 2 897 91 91 PHE HB3 H 2.895 0.030 2 898 91 91 PHE HD1 H 6.852 0.030 1 899 91 91 PHE HD2 H 6.852 0.030 1 900 91 91 PHE HE1 H 6.782 0.030 1 901 91 91 PHE HE2 H 6.782 0.030 1 902 91 91 PHE HZ H 6.595 0.030 1 903 91 91 PHE C C 170.731 0.300 1 904 91 91 PHE CA C 56.271 0.300 1 905 91 91 PHE CB C 41.553 0.300 1 906 91 91 PHE CD1 C 132.703 0.300 1 907 91 91 PHE CD2 C 132.703 0.300 1 908 91 91 PHE CE1 C 130.003 0.300 1 909 91 91 PHE CE2 C 130.003 0.300 1 910 91 91 PHE CZ C 128.965 0.300 1 911 91 91 PHE N N 118.968 0.300 1 912 92 92 PHE H H 9.422 0.030 1 913 92 92 PHE HA H 5.674 0.030 1 914 92 92 PHE HB2 H 2.942 0.030 1 915 92 92 PHE HB3 H 2.942 0.030 1 916 92 92 PHE HD1 H 7.048 0.030 1 917 92 92 PHE HD2 H 7.048 0.030 1 918 92 92 PHE HE1 H 7.342 0.030 1 919 92 92 PHE HE2 H 7.342 0.030 1 920 92 92 PHE HZ H 7.293 0.030 1 921 92 92 PHE C C 174.570 0.300 1 922 92 92 PHE CA C 55.917 0.300 1 923 92 92 PHE CB C 42.787 0.300 1 924 92 92 PHE CD1 C 132.151 0.300 1 925 92 92 PHE CD2 C 132.151 0.300 1 926 92 92 PHE CE1 C 131.666 0.300 1 927 92 92 PHE CE2 C 131.666 0.300 1 928 92 92 PHE CZ C 129.932 0.300 1 929 92 92 PHE N N 117.543 0.300 1 930 93 93 LEU H H 9.021 0.030 1 931 93 93 LEU HA H 5.122 0.030 1 932 93 93 LEU HB2 H 1.861 0.030 2 933 93 93 LEU HB3 H 1.592 0.030 2 934 93 93 LEU HD1 H 0.862 0.030 1 935 93 93 LEU HD2 H 0.854 0.030 1 936 93 93 LEU HG H 1.812 0.030 1 937 93 93 LEU C C 174.799 0.300 1 938 93 93 LEU CA C 54.912 0.300 1 939 93 93 LEU CB C 45.254 0.300 1 940 93 93 LEU CD1 C 26.221 0.300 2 941 93 93 LEU CD2 C 25.955 0.300 2 942 93 93 LEU CG C 28.585 0.300 1 943 93 93 LEU N N 121.719 0.300 1 944 94 94 GLU H H 9.294 0.030 1 945 94 94 GLU HA H 5.043 0.030 1 946 94 94 GLU HB2 H 1.892 0.030 2 947 94 94 GLU HB3 H 2.302 0.030 2 948 94 94 GLU HG2 H 2.212 0.030 1 949 94 94 GLU HG3 H 2.212 0.030 1 950 94 94 GLU C C 175.754 0.300 1 951 94 94 GLU CA C 56.018 0.300 1 952 94 94 GLU CB C 32.752 0.300 1 953 94 94 GLU CG C 36.700 0.300 1 954 94 94 GLU N N 127.032 0.300 1 955 95 95 THR H H 8.822 0.030 1 956 95 95 THR HA H 5.398 0.030 1 957 95 95 THR HB H 4.721 0.030 1 958 95 95 THR HG2 H 1.352 0.030 1 959 95 95 THR C C 173.860 0.300 1 960 95 95 THR CA C 59.588 0.300 1 961 95 95 THR CB C 72.191 0.300 1 962 95 95 THR CG2 C 21.977 0.300 1 963 95 95 THR N N 118.685 0.300 1 964 96 96 LYS H H 8.823 0.030 1 965 96 96 LYS HA H 4.022 0.030 1 966 96 96 LYS HB2 H 1.908 0.030 1 967 96 96 LYS HB3 H 1.908 0.030 1 968 96 96 LYS HD2 H 1.750 0.030 1 969 96 96 LYS HD3 H 1.750 0.030 1 970 96 96 LYS HE2 H 3.017 0.030 1 971 96 96 LYS HE3 H 3.017 0.030 1 972 96 96 LYS HG2 H 1.583 0.030 2 973 96 96 LYS HG3 H 1.513 0.030 2 974 96 96 LYS C C 177.330 0.300 1 975 96 96 LYS CA C 59.588 0.300 1 976 96 96 LYS CB C 32.588 0.300 1 977 96 96 LYS CD C 29.380 0.300 1 978 96 96 LYS CE C 42.211 0.300 1 979 96 96 LYS CG C 25.679 0.300 1 980 96 96 LYS N N 118.801 0.300 1 981 97 97 GLU H H 8.092 0.030 1 982 97 97 GLU HA H 4.282 0.030 1 983 97 97 GLU HB2 H 2.002 0.030 2 984 97 97 GLU HB3 H 1.942 0.030 2 985 97 97 GLU HG2 H 2.257 0.030 2 986 97 97 GLU HG3 H 2.212 0.030 2 987 97 97 GLU C C 176.290 0.300 1 988 97 97 GLU CA C 57.365 0.300 1 989 97 97 GLU CB C 31.559 0.300 1 990 97 97 GLU CG C 36.371 0.300 1 991 97 97 GLU N N 113.992 0.300 1 992 98 98 ARG H H 7.482 0.030 1 993 98 98 ARG HA H 4.397 0.030 1 994 98 98 ARG HB2 H 1.500 0.030 1 995 98 98 ARG HB3 H 1.500 0.030 1 996 98 98 ARG HD2 H 2.792 0.030 1 997 98 98 ARG HD3 H 2.792 0.030 1 998 98 98 ARG HG2 H 0.851 0.030 2 999 98 98 ARG HG3 H 0.740 0.030 2 1000 98 98 ARG C C 172.792 0.300 1 1001 98 98 ARG CA C 55.689 0.300 1 1002 98 98 ARG CB C 32.711 0.300 1 1003 98 98 ARG CD C 42.927 0.300 1 1004 98 98 ARG CG C 25.350 0.300 1 1005 98 98 ARG N N 116.022 0.300 1 1006 99 99 LEU H H 8.423 0.030 1 1007 99 99 LEU HA H 4.807 0.030 1 1008 99 99 LEU HB2 H 1.692 0.030 2 1009 99 99 LEU HB3 H 1.462 0.030 2 1010 99 99 LEU HD1 H 0.732 0.030 1 1011 99 99 LEU HD2 H 0.682 0.030 1 1012 99 99 LEU HG H 1.392 0.030 1 1013 99 99 LEU C C 175.903 0.300 1 1014 99 99 LEU CA C 54.383 0.300 1 1015 99 99 LEU CB C 43.362 0.300 1 1016 99 99 LEU CD1 C 24.447 0.300 2 1017 99 99 LEU CD2 C 25.267 0.300 2 1018 99 99 LEU CG C 27.735 0.300 1 1019 99 99 LEU N N 124.983 0.300 1 1020 100 100 TYR H H 9.144 0.030 1 1021 100 100 TYR HA H 4.542 0.030 1 1022 100 100 TYR HB2 H 3.163 0.030 2 1023 100 100 TYR HB3 H 2.492 0.030 2 1024 100 100 TYR HD1 H 7.112 0.030 1 1025 100 100 TYR HD2 H 7.112 0.030 1 1026 100 100 TYR HE1 H 6.654 0.030 1 1027 100 100 TYR HE2 H 6.654 0.030 1 1028 100 100 TYR C C 173.479 0.300 1 1029 100 100 TYR CA C 57.735 0.300 1 1030 100 100 TYR CB C 39.291 0.300 1 1031 100 100 TYR CD1 C 133.224 0.300 1 1032 100 100 TYR CD2 C 133.224 0.300 1 1033 100 100 TYR CE1 C 117.720 0.300 1 1034 100 100 TYR CE2 C 117.720 0.300 1 1035 100 100 TYR N N 126.679 0.300 1 1036 101 101 LEU H H 9.043 0.030 1 1037 101 101 LEU HA H 4.747 0.030 1 1038 101 101 LEU HB2 H 1.612 0.030 2 1039 101 101 LEU HB3 H 1.126 0.030 2 1040 101 101 LEU HD1 H 0.532 0.030 1 1041 101 101 LEU HD2 H 0.713 0.030 1 1042 101 101 LEU HG H 1.469 0.030 1 1043 101 101 LEU C C 173.530 0.300 1 1044 101 101 LEU CA C 54.524 0.300 1 1045 101 101 LEU CB C 42.499 0.300 1 1046 101 101 LEU CD1 C 22.928 0.300 2 1047 101 101 LEU CD2 C 25.679 0.300 2 1048 101 101 LEU CG C 27.406 0.300 1 1049 101 101 LEU N N 127.422 0.300 1 1050 102 102 LEU H H 8.493 0.030 1 1051 102 102 LEU HA H 5.612 0.030 1 1052 102 102 LEU HB2 H 0.722 0.030 2 1053 102 102 LEU HB3 H 0.062 0.030 2 1054 102 102 LEU HD1 H 0.402 0.030 1 1055 102 102 LEU HD2 H 0.602 0.030 1 1056 102 102 LEU HG H 1.252 0.030 1 1057 102 102 LEU C C 175.794 0.300 1 1058 102 102 LEU CA C 53.076 0.300 1 1059 102 102 LEU CB C 45.994 0.300 1 1060 102 102 LEU CD1 C 27.141 0.300 2 1061 102 102 LEU CD2 C 26.172 0.300 2 1062 102 102 LEU CG C 27.539 0.300 1 1063 102 102 LEU N N 126.021 0.300 1 1064 103 103 ALA H H 9.073 0.030 1 1065 103 103 ALA HA H 5.081 0.030 1 1066 103 103 ALA HB H 0.764 0.030 1 1067 103 103 ALA C C 175.133 0.300 1 1068 103 103 ALA CA C 51.688 0.300 1 1069 103 103 ALA CB C 21.689 0.300 1 1070 103 103 ALA N N 117.679 0.300 1 1071 104 104 ALA H H 8.582 0.030 1 1072 104 104 ALA HA H 5.220 0.030 1 1073 104 104 ALA HB H 1.314 0.030 1 1074 104 104 ALA C C 173.471 0.300 1 1075 104 104 ALA CA C 47.959 0.300 1 1076 104 104 ALA CB C 21.359 0.300 1 1077 104 104 ALA N N 123.419 0.300 1 1078 105 105 PRO HA H 4.542 0.030 1 1079 105 105 PRO HB2 H 2.632 0.030 2 1080 105 105 PRO HB3 H 1.893 0.030 2 1081 105 105 PRO HD2 H 3.742 0.030 2 1082 105 105 PRO HD3 H 3.933 0.030 2 1083 105 105 PRO HG2 H 2.407 0.030 2 1084 105 105 PRO HG3 H 2.211 0.030 2 1085 105 105 PRO C C 178.409 0.300 1 1086 105 105 PRO CA C 64.301 0.300 1 1087 105 105 PRO CB C 32.094 0.300 1 1088 105 105 PRO CD C 50.805 0.300 1 1089 105 105 PRO CG C 28.886 0.300 1 1090 106 106 ALA H H 8.302 0.030 1 1091 106 106 ALA HA H 4.022 0.030 1 1092 106 106 ALA HB H 1.285 0.030 1 1093 106 106 ALA C C 179.641 0.300 1 1094 106 106 ALA CA C 56.341 0.300 1 1095 106 106 ALA CB C 18.523 0.300 1 1096 106 106 ALA N N 127.733 0.300 1 1097 107 107 ALA H H 9.035 0.030 1 1098 107 107 ALA HA H 4.331 0.030 1 1099 107 107 ALA HB H 1.482 0.030 1 1100 107 107 ALA C C 178.586 0.300 1 1101 107 107 ALA CA C 53.765 0.300 1 1102 107 107 ALA CB C 18.728 0.300 1 1103 107 107 ALA N N 118.203 0.300 1 1104 108 108 GLU H H 8.399 0.030 1 1105 108 108 GLU HA H 4.631 0.030 1 1106 108 108 GLU HB2 H 2.592 0.030 2 1107 108 108 GLU HB3 H 2.067 0.030 2 1108 108 108 GLU HG2 H 2.333 0.030 2 1109 108 108 GLU HG3 H 2.292 0.030 2 1110 108 108 GLU C C 177.127 0.300 1 1111 108 108 GLU CA C 55.847 0.300 1 1112 108 108 GLU CB C 32.135 0.300 1 1113 108 108 GLU CG C 36.665 0.300 1 1114 108 108 GLU N N 114.661 0.300 1 1115 109 109 ARG H H 7.412 0.030 1 1116 109 109 ARG HA H 3.682 0.030 1 1117 109 109 ARG HB2 H 1.812 0.030 2 1118 109 109 ARG HB3 H 2.011 0.030 2 1119 109 109 ARG HD2 H 3.082 0.030 1 1120 109 109 ARG HD3 H 3.082 0.030 1 1121 109 109 ARG HG2 H 1.621 0.030 2 1122 109 109 ARG HG3 H 1.475 0.030 2 1123 109 109 ARG C C 176.917 0.300 1 1124 109 109 ARG CA C 61.600 0.300 1 1125 109 109 ARG CB C 28.845 0.300 1 1126 109 109 ARG CD C 43.280 0.300 1 1127 109 109 ARG CG C 26.355 0.300 1 1128 109 109 ARG N N 120.954 0.300 1 1129 110 110 GLY H H 8.833 0.030 1 1130 110 110 GLY HA2 H 3.872 0.030 2 1131 110 110 GLY HA3 H 3.685 0.030 2 1132 110 110 GLY C C 175.997 0.300 1 1133 110 110 GLY CA C 47.323 0.300 1 1134 110 110 GLY N N 106.563 0.300 1 1135 111 111 ASP H H 7.882 0.030 1 1136 111 111 ASP HA H 4.312 0.030 1 1137 111 111 ASP HB2 H 2.691 0.030 2 1138 111 111 ASP HB3 H 2.292 0.030 2 1139 111 111 ASP C C 179.467 0.300 1 1140 111 111 ASP CA C 56.976 0.300 1 1141 111 111 ASP CB C 40.648 0.300 1 1142 111 111 ASP N N 121.402 0.300 1 1143 112 112 TRP H H 7.804 0.030 1 1144 112 112 TRP HA H 3.831 0.030 1 1145 112 112 TRP HB2 H 2.937 0.030 2 1146 112 112 TRP HB3 H 2.738 0.030 2 1147 112 112 TRP HD1 H 7.055 0.030 1 1148 112 112 TRP HE1 H 11.264 0.030 1 1149 112 112 TRP HE3 H 7.306 0.030 1 1150 112 112 TRP HH2 H 6.572 0.030 1 1151 112 112 TRP HZ2 H 6.903 0.030 1 1152 112 112 TRP HZ3 H 6.674 0.030 1 1153 112 112 TRP C C 177.547 0.300 1 1154 112 112 TRP CA C 62.006 0.300 1 1155 112 112 TRP CB C 29.421 0.300 1 1156 112 112 TRP CD1 C 126.950 0.300 1 1157 112 112 TRP CE3 C 118.790 0.300 1 1158 112 112 TRP CH2 C 123.724 0.300 1 1159 112 112 TRP CZ2 C 114.196 0.300 1 1160 112 112 TRP CZ3 C 121.150 0.300 1 1161 112 112 TRP N N 119.904 0.300 1 1162 112 112 TRP NE1 N 131.126 0.300 1 1163 113 113 VAL H H 7.982 0.030 1 1164 113 113 VAL HA H 3.072 0.030 1 1165 113 113 VAL HB H 1.982 0.030 1 1166 113 113 VAL HG1 H 0.792 0.030 1 1167 113 113 VAL HG2 H 0.382 0.030 1 1168 113 113 VAL C C 178.015 0.300 1 1169 113 113 VAL CA C 67.407 0.300 1 1170 113 113 VAL CB C 31.724 0.300 1 1171 113 113 VAL CG1 C 21.402 0.300 2 1172 113 113 VAL CG2 C 22.775 0.300 2 1173 113 113 VAL N N 117.575 0.300 1 1174 114 114 GLN H H 8.268 0.030 1 1175 114 114 GLN HA H 3.994 0.030 1 1176 114 114 GLN HB2 H 2.062 0.030 2 1177 114 114 GLN HB3 H 2.012 0.030 2 1178 114 114 GLN HE21 H 7.372 0.030 2 1179 114 114 GLN HE22 H 6.799 0.030 2 1180 114 114 GLN HG2 H 2.412 0.030 2 1181 114 114 GLN HG3 H 2.340 0.030 2 1182 114 114 GLN C C 178.021 0.300 1 1183 114 114 GLN CA C 59.112 0.300 1 1184 114 114 GLN CB C 28.685 0.300 1 1185 114 114 GLN CG C 33.904 0.300 1 1186 114 114 GLN N N 117.479 0.300 1 1187 114 114 GLN NE2 N 111.681 0.300 1 1188 115 115 ALA H H 7.915 0.030 1 1189 115 115 ALA HA H 3.972 0.030 1 1190 115 115 ALA HB H 1.125 0.030 1 1191 115 115 ALA C C 180.030 0.300 1 1192 115 115 ALA CA C 55.142 0.300 1 1193 115 115 ALA CB C 18.152 0.300 1 1194 115 115 ALA N N 120.858 0.300 1 1195 116 116 ILE H H 8.172 0.030 1 1196 116 116 ILE HA H 3.482 0.030 1 1197 116 116 ILE HB H 1.908 0.030 1 1198 116 116 ILE HD1 H 1.018 0.030 1 1199 116 116 ILE HG12 H 2.299 0.030 2 1200 116 116 ILE HG13 H 0.912 0.030 2 1201 116 116 ILE HG2 H 0.892 0.030 1 1202 116 116 ILE C C 177.739 0.300 1 1203 116 116 ILE CA C 66.119 0.300 1 1204 116 116 ILE CB C 38.222 0.300 1 1205 116 116 ILE CD1 C 14.575 0.300 1 1206 116 116 ILE CG1 C 31.240 0.300 1 1207 116 116 ILE CG2 C 18.558 0.300 1 1208 116 116 ILE N N 115.977 0.300 1 1209 117 117 CYS H H 8.449 0.030 1 1210 117 117 CYS HA H 4.032 0.030 1 1211 117 117 CYS HB2 H 3.108 0.030 1 1212 117 117 CYS HB3 H 3.108 0.030 1 1213 117 117 CYS C C 177.321 0.300 1 1214 117 117 CYS CA C 64.777 0.300 1 1215 117 117 CYS CB C 26.871 0.300 1 1216 117 117 CYS N N 117.253 0.300 1 1217 118 118 LEU H H 8.182 0.030 1 1218 118 118 LEU HA H 4.052 0.030 1 1219 118 118 LEU HB2 H 1.752 0.030 2 1220 118 118 LEU HB3 H 1.611 0.030 2 1221 118 118 LEU HD1 H 0.850 0.030 1 1222 118 118 LEU HD2 H 0.850 0.030 1 1223 118 118 LEU HG H 1.642 0.030 1 1224 118 118 LEU C C 179.217 0.300 1 1225 118 118 LEU CA C 57.877 0.300 1 1226 118 118 LEU CB C 42.088 0.300 1 1227 118 118 LEU CD1 C 24.280 0.300 2 1228 118 118 LEU CD2 C 24.280 0.300 2 1229 118 118 LEU CG C 27.035 0.300 1 1230 118 118 LEU N N 119.665 0.300 1 1231 119 119 LEU H H 7.142 0.030 1 1232 119 119 LEU HA H 4.192 0.030 1 1233 119 119 LEU HB2 H 1.682 0.030 2 1234 119 119 LEU HB3 H 1.272 0.030 2 1235 119 119 LEU HD1 H 0.713 0.030 1 1236 119 119 LEU HD2 H 0.832 0.030 1 1237 119 119 LEU HG H 1.795 0.030 1 1238 119 119 LEU C C 178.492 0.300 1 1239 119 119 LEU CA C 56.259 0.300 1 1240 119 119 LEU CB C 43.568 0.300 1 1241 119 119 LEU CD1 C 25.596 0.300 2 1242 119 119 LEU CD2 C 23.015 0.300 2 1243 119 119 LEU CG C 26.959 0.300 1 1244 119 119 LEU N N 116.244 0.300 1 1245 120 120 ALA H H 8.513 0.030 1 1246 120 120 ALA HA H 3.878 0.030 1 1247 120 120 ALA HB H 0.577 0.030 1 1248 120 120 ALA C C 178.358 0.300 1 1249 120 120 ALA CA C 53.765 0.300 1 1250 120 120 ALA CB C 18.687 0.300 1 1251 120 120 ALA N N 120.009 0.300 1 1252 121 121 PHE H H 7.822 0.030 1 1253 121 121 PHE HA H 5.156 0.030 1 1254 121 121 PHE HB2 H 3.472 0.030 2 1255 121 121 PHE HB3 H 3.025 0.030 2 1256 121 121 PHE HD1 H 7.362 0.030 1 1257 121 121 PHE HD2 H 7.362 0.030 1 1258 121 121 PHE HE1 H 7.301 0.030 1 1259 121 121 PHE HE2 H 7.301 0.030 1 1260 121 121 PHE HZ H 6.814 0.030 1 1261 121 121 PHE C C 176.273 0.300 1 1262 121 121 PHE CA C 55.741 0.300 1 1263 121 121 PHE CB C 39.455 0.300 1 1264 121 121 PHE CD1 C 132.182 0.300 1 1265 121 121 PHE CD2 C 132.182 0.300 1 1266 121 121 PHE CE1 C 131.005 0.300 1 1267 121 121 PHE CE2 C 131.005 0.300 1 1268 121 121 PHE CZ C 128.566 0.300 1 1269 121 121 PHE N N 113.981 0.300 1 1270 122 122 SER H H 7.765 0.030 1 1271 122 122 SER HA H 4.579 0.030 1 1272 122 122 SER HB2 H 4.014 0.030 1 1273 122 122 SER HB3 H 4.014 0.030 1 1274 122 122 SER C C 174.595 0.300 1 1275 122 122 SER CA C 58.777 0.300 1 1276 122 122 SER CB C 63.719 0.300 1 1277 122 122 SER N N 115.069 0.300 1 1278 123 123 GLY H H 8.223 0.030 1 1279 123 123 GLY HA2 H 4.174 0.030 2 1280 123 123 GLY HA3 H 4.100 0.030 2 1281 123 123 GLY C C 171.678 0.300 1 1282 123 123 GLY CA C 44.815 0.300 1 1283 123 123 GLY N N 110.151 0.300 1 1284 124 124 PRO HA H 4.482 0.030 1 1285 124 124 PRO HB2 H 2.292 0.030 2 1286 124 124 PRO HB3 H 1.995 0.030 2 1287 124 124 PRO HD2 H 3.634 0.030 1 1288 124 124 PRO HD3 H 3.634 0.030 1 1289 124 124 PRO HG2 H 2.012 0.030 1 1290 124 124 PRO HG3 H 2.012 0.030 1 1291 124 124 PRO C C 177.314 0.300 1 1292 124 124 PRO CA C 63.206 0.300 1 1293 124 124 PRO CB C 32.176 0.300 1 1294 124 124 PRO CD C 49.786 0.300 1 1295 124 124 PRO CG C 27.165 0.300 1 1296 125 125 SER H H 8.485 0.030 1 1297 125 125 SER HA H 4.472 0.030 1 1298 125 125 SER HB2 H 3.878 0.030 1 1299 125 125 SER HB3 H 3.878 0.030 1 1300 125 125 SER C C 174.728 0.300 1 1301 125 125 SER CA C 58.353 0.300 1 1302 125 125 SER CB C 64.048 0.300 1 1303 125 125 SER N N 116.081 0.300 1 1304 126 126 SER H H 8.332 0.030 1 1305 126 126 SER HA H 4.464 0.030 1 1306 126 126 SER HB2 H 3.891 0.030 1 1307 126 126 SER HB3 H 3.891 0.030 1 1308 126 126 SER C C 173.980 0.300 1 1309 126 126 SER CA C 58.336 0.300 1 1310 126 126 SER CB C 63.925 0.300 1 1311 126 126 SER N N 118.037 0.300 1 1312 127 127 GLY H H 8.032 0.030 1 1313 127 127 GLY HA2 H 3.776 0.030 1 1314 127 127 GLY HA3 H 3.776 0.030 1 1315 127 127 GLY CA C 46.241 0.300 1 1316 127 127 GLY N N 116.861 0.300 1 stop_ save_