data_10316 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of TBC1 domain family member 2 protein from human ; _BMRB_accession_number 10316 _BMRB_flat_file_name bmr10316.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Tochio N. . . 3 Koshiba S. . . 4 Harada T. . . 5 Watanabe S. . . 6 Kigawa T. . . 7 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" 675 "13C chemical shifts" 508 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 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 TBC1 domain family member 2 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 Tochio N. . . 3 Koshiba S. . . 4 Harada T. . . 5 Watanabe S. . . 6 Kigawa T. . . 7 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 'TBC1 domain family member 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 119 _Mol_residue_sequence ; GSSGSSGKKLCGYLSKFGGK GPIRGWKSRWFFYDERKCQL YYSRTAQDANPLDSIDLSSA VFDCKADAEEGIFEIKTPSR VITLKAATKQAMLYWLQQLQ MKRWEFHNSPPAPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 LYS 10 LEU 11 CYS 12 GLY 13 TYR 14 LEU 15 SER 16 LYS 17 PHE 18 GLY 19 GLY 20 LYS 21 GLY 22 PRO 23 ILE 24 ARG 25 GLY 26 TRP 27 LYS 28 SER 29 ARG 30 TRP 31 PHE 32 PHE 33 TYR 34 ASP 35 GLU 36 ARG 37 LYS 38 CYS 39 GLN 40 LEU 41 TYR 42 TYR 43 SER 44 ARG 45 THR 46 ALA 47 GLN 48 ASP 49 ALA 50 ASN 51 PRO 52 LEU 53 ASP 54 SER 55 ILE 56 ASP 57 LEU 58 SER 59 SER 60 ALA 61 VAL 62 PHE 63 ASP 64 CYS 65 LYS 66 ALA 67 ASP 68 ALA 69 GLU 70 GLU 71 GLY 72 ILE 73 PHE 74 GLU 75 ILE 76 LYS 77 THR 78 PRO 79 SER 80 ARG 81 VAL 82 ILE 83 THR 84 LEU 85 LYS 86 ALA 87 ALA 88 THR 89 LYS 90 GLN 91 ALA 92 MET 93 LEU 94 TYR 95 TRP 96 LEU 97 GLN 98 GLN 99 LEU 100 GLN 101 MET 102 LYS 103 ARG 104 TRP 105 GLU 106 PHE 107 HIS 108 ASN 109 SER 110 PRO 111 PRO 112 ALA 113 PRO 114 SER 115 GLY 116 PRO 117 SER 118 SER 119 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DHK "Solution Structure Of The Ph Domain Of Tbc1 Domain Family Member 2 Protein From Human" 100.00 119 100.00 100.00 1.65e-81 DBJ BAD92958 "Hypothetical protein pp8997 variant [Homo sapiens]" 89.08 452 100.00 100.00 3.73e-72 DBJ BAG54761 "unnamed protein product [Homo sapiens]" 89.08 787 99.06 100.00 6.56e-68 DBJ BAH16625 "TBC1 domain family, member 2A [Homo sapiens]" 89.08 928 100.00 100.00 5.49e-68 EMBL CAH92074 "hypothetical protein [Pongo abelii]" 89.08 171 99.06 100.00 1.38e-72 GB AAK07684 "prostate antigen PARIS-1 [Homo sapiens]" 89.08 917 100.00 100.00 6.87e-68 GB AAL55877 "unknown [Homo sapiens]" 89.08 860 100.00 100.00 3.14e-68 GB EAW58882 "TBC1 domain family, member 2, isoform CRA_a [Homo sapiens]" 89.08 917 100.00 100.00 7.29e-68 GB EAW58883 "TBC1 domain family, member 2, isoform CRA_b [Homo sapiens]" 89.08 943 100.00 100.00 4.93e-68 GB EAW58884 "TBC1 domain family, member 2, isoform CRA_c [Homo sapiens]" 89.08 928 100.00 100.00 5.49e-68 REF NP_001254500 "TBC1 domain family member 2A isoform 1 [Homo sapiens]" 89.08 928 100.00 100.00 5.49e-68 REF NP_060891 "TBC1 domain family member 2A isoform 2 [Homo sapiens]" 89.08 917 100.00 100.00 7.29e-68 REF XP_001158356 "PREDICTED: TBC1 domain family member 2A isoform X1 [Pan troglodytes]" 89.08 928 99.06 99.06 2.24e-67 REF XP_003260594 "PREDICTED: TBC1 domain family member 2A isoform X1 [Nomascus leucogenys]" 89.08 928 100.00 100.00 3.81e-68 REF XP_003260595 "PREDICTED: TBC1 domain family member 2A isoform X2 [Nomascus leucogenys]" 89.08 917 100.00 100.00 4.72e-68 SP Q9BYX2 "RecName: Full=TBC1 domain family member 2A; AltName: Full=Armus; AltName: Full=Prostate antigen recognized and identified by SE" 89.08 928 100.00 100.00 5.49e-68 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 P051205-24 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 1.31 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 900 _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 HA2 H 4.007 0.030 2 2 7 7 GLY HA3 H 3.967 0.030 2 3 7 7 GLY C C 174.142 0.300 1 4 7 7 GLY CA C 45.446 0.300 1 5 8 8 LYS H H 8.194 0.030 1 6 8 8 LYS HA H 4.368 0.030 1 7 8 8 LYS HB2 H 1.847 0.030 2 8 8 8 LYS HB3 H 1.747 0.030 2 9 8 8 LYS HE2 H 2.994 0.030 2 10 8 8 LYS HG2 H 1.439 0.030 2 11 8 8 LYS C C 176.784 0.300 1 12 8 8 LYS CA C 56.048 0.300 1 13 8 8 LYS CB C 33.108 0.300 1 14 8 8 LYS CD C 28.979 0.300 1 15 8 8 LYS CE C 42.298 0.300 1 16 8 8 LYS CG C 24.786 0.300 1 17 8 8 LYS N N 120.946 0.300 1 18 9 9 LYS H H 8.389 0.030 1 19 9 9 LYS HA H 4.387 0.030 1 20 9 9 LYS HB2 H 1.885 0.030 1 21 9 9 LYS HB3 H 1.885 0.030 1 22 9 9 LYS HD2 H 1.816 0.030 1 23 9 9 LYS HD3 H 1.816 0.030 1 24 9 9 LYS HE2 H 3.106 0.030 2 25 9 9 LYS HE3 H 3.074 0.030 2 26 9 9 LYS HG2 H 1.610 0.030 2 27 9 9 LYS HG3 H 1.497 0.030 2 28 9 9 LYS C C 176.010 0.300 1 29 9 9 LYS CA C 56.224 0.300 1 30 9 9 LYS CB C 33.337 0.300 1 31 9 9 LYS CD C 29.201 0.300 1 32 9 9 LYS CE C 42.216 0.300 1 33 9 9 LYS CG C 24.929 0.300 1 34 9 9 LYS N N 123.734 0.300 1 35 10 10 LEU H H 9.217 0.030 1 36 10 10 LEU HA H 4.426 0.030 1 37 10 10 LEU HB2 H 1.847 0.030 2 38 10 10 LEU HB3 H 1.127 0.030 2 39 10 10 LEU HD1 H -0.203 0.030 1 40 10 10 LEU HD2 H 0.311 0.030 1 41 10 10 LEU HG H 0.907 0.030 1 42 10 10 LEU C C 173.651 0.300 1 43 10 10 LEU CA C 54.538 0.300 1 44 10 10 LEU CB C 41.640 0.300 1 45 10 10 LEU CD1 C 21.519 0.300 2 46 10 10 LEU CD2 C 25.975 0.300 2 47 10 10 LEU CG C 26.860 0.300 1 48 10 10 LEU N N 127.619 0.300 1 49 11 11 CYS H H 7.847 0.030 1 50 11 11 CYS HA H 5.480 0.030 1 51 11 11 CYS HB2 H 3.267 0.030 2 52 11 11 CYS HB3 H 2.637 0.030 2 53 11 11 CYS C C 172.608 0.300 1 54 11 11 CYS CA C 55.166 0.300 1 55 11 11 CYS CB C 30.521 0.300 1 56 11 11 CYS N N 120.450 0.300 1 57 12 12 GLY H H 8.102 0.030 1 58 12 12 GLY HA2 H 4.585 0.030 2 59 12 12 GLY HA3 H 3.737 0.030 2 60 12 12 GLY C C 171.678 0.300 1 61 12 12 GLY CA C 45.730 0.300 1 62 12 12 GLY N N 107.688 0.300 1 63 13 13 TYR H H 8.967 0.030 1 64 13 13 TYR HA H 5.684 0.030 1 65 13 13 TYR HB2 H 3.108 0.030 2 66 13 13 TYR HB3 H 2.998 0.030 2 67 13 13 TYR HD1 H 7.482 0.030 1 68 13 13 TYR HD2 H 7.482 0.030 1 69 13 13 TYR HE1 H 7.075 0.030 1 70 13 13 TYR HE2 H 7.075 0.030 1 71 13 13 TYR C C 177.677 0.300 1 72 13 13 TYR CA C 59.826 0.300 1 73 13 13 TYR CB C 39.503 0.300 1 74 13 13 TYR CD1 C 133.845 0.300 1 75 13 13 TYR CD2 C 133.845 0.300 1 76 13 13 TYR CE1 C 119.230 0.300 1 77 13 13 TYR CE2 C 119.230 0.300 1 78 13 13 TYR N N 118.349 0.300 1 79 14 14 LEU H H 9.283 0.030 1 80 14 14 LEU HA H 4.539 0.030 1 81 14 14 LEU HB2 H 1.145 0.030 2 82 14 14 LEU HB3 H 0.525 0.030 2 83 14 14 LEU HD1 H -1.202 0.030 1 84 14 14 LEU HD2 H 0.296 0.030 1 85 14 14 LEU HG H 0.695 0.030 1 86 14 14 LEU C C 175.931 0.300 1 87 14 14 LEU CA C 54.114 0.300 1 88 14 14 LEU CB C 47.334 0.300 1 89 14 14 LEU CD1 C 23.823 0.300 2 90 14 14 LEU CD2 C 23.434 0.300 2 91 14 14 LEU CG C 26.141 0.300 1 92 14 14 LEU N N 122.915 0.300 1 93 15 15 SER H H 8.306 0.030 1 94 15 15 SER HA H 5.587 0.030 1 95 15 15 SER HB2 H 3.866 0.030 2 96 15 15 SER HB3 H 3.668 0.030 2 97 15 15 SER C C 172.611 0.300 1 98 15 15 SER CA C 57.736 0.300 1 99 15 15 SER CB C 64.415 0.300 1 100 15 15 SER N N 114.390 0.300 1 101 16 16 LYS H H 9.399 0.030 1 102 16 16 LYS HA H 5.187 0.030 1 103 16 16 LYS HB2 H 1.708 0.030 2 104 16 16 LYS HB3 H 1.373 0.030 2 105 16 16 LYS HD2 H 1.198 0.030 2 106 16 16 LYS HD3 H 1.328 0.030 2 107 16 16 LYS HE2 H 2.845 0.030 2 108 16 16 LYS HE3 H 2.997 0.030 2 109 16 16 LYS HG2 H 1.245 0.030 2 110 16 16 LYS HG3 H 1.287 0.030 2 111 16 16 LYS C C 175.957 0.300 1 112 16 16 LYS CA C 54.467 0.300 1 113 16 16 LYS CB C 36.132 0.300 1 114 16 16 LYS CD C 29.712 0.300 1 115 16 16 LYS CE C 41.902 0.300 1 116 16 16 LYS CG C 24.691 0.300 1 117 16 16 LYS N N 125.186 0.300 1 118 17 17 PHE H H 8.489 0.030 1 119 17 17 PHE HA H 4.068 0.030 1 120 17 17 PHE HB2 H 1.305 0.030 2 121 17 17 PHE HB3 H 2.259 0.030 2 122 17 17 PHE HD1 H 5.753 0.030 1 123 17 17 PHE HD2 H 5.753 0.030 1 124 17 17 PHE HE1 H 6.912 0.030 1 125 17 17 PHE HE2 H 6.912 0.030 1 126 17 17 PHE HZ H 6.997 0.030 1 127 17 17 PHE C C 175.712 0.300 1 128 17 17 PHE CA C 57.698 0.300 1 129 17 17 PHE CB C 38.944 0.300 1 130 17 17 PHE CD1 C 130.823 0.300 1 131 17 17 PHE CD2 C 130.823 0.300 1 132 17 17 PHE CE1 C 130.818 0.300 1 133 17 17 PHE CE2 C 130.818 0.300 1 134 17 17 PHE CZ C 129.821 0.300 1 135 17 17 PHE N N 131.338 0.300 1 136 18 18 GLY H H 7.997 0.030 1 137 18 18 GLY HA2 H 3.866 0.030 2 138 18 18 GLY HA3 H 3.787 0.030 2 139 18 18 GLY C C 172.195 0.300 1 140 18 18 GLY CA C 45.491 0.300 1 141 18 18 GLY N N 116.150 0.300 1 142 20 20 LYS HA H 4.437 0.030 1 143 20 20 LYS HB2 H 1.789 0.030 2 144 20 20 LYS HB3 H 1.671 0.030 2 145 20 20 LYS HE2 H 2.956 0.030 2 146 20 20 LYS HG2 H 1.395 0.030 2 147 20 20 LYS C C 175.401 0.300 1 148 20 20 LYS CA C 55.561 0.300 1 149 20 20 LYS CB C 34.221 0.300 1 150 20 20 LYS CD C 29.174 0.300 1 151 20 20 LYS CE C 41.979 0.300 1 152 20 20 LYS CG C 24.838 0.300 1 153 21 21 GLY HA2 H 4.207 0.030 2 154 21 21 GLY HA3 H 3.848 0.030 2 155 21 21 GLY CA C 44.793 0.300 1 156 22 22 PRO HA H 4.367 0.030 1 157 22 22 PRO HB2 H 2.278 0.030 2 158 22 22 PRO HB3 H 1.976 0.030 2 159 22 22 PRO HD2 H 3.597 0.030 2 160 22 22 PRO HD3 H 3.816 0.030 2 161 22 22 PRO HG2 H 2.036 0.030 2 162 22 22 PRO HG3 H 1.952 0.030 2 163 22 22 PRO C C 176.937 0.300 1 164 22 22 PRO CA C 64.224 0.300 1 165 22 22 PRO CB C 32.268 0.300 1 166 22 22 PRO CD C 50.088 0.300 1 167 22 22 PRO CG C 27.006 0.300 1 168 23 23 ILE H H 7.516 0.030 1 169 23 23 ILE HA H 4.197 0.030 1 170 23 23 ILE HB H 1.896 0.030 1 171 23 23 ILE HD1 H 0.827 0.030 1 172 23 23 ILE HG12 H 1.377 0.030 2 173 23 23 ILE HG13 H 1.127 0.030 2 174 23 23 ILE HG2 H 0.817 0.030 1 175 23 23 ILE C C 175.408 0.300 1 176 23 23 ILE CA C 60.246 0.300 1 177 23 23 ILE CB C 37.817 0.300 1 178 23 23 ILE CD1 C 12.552 0.300 1 179 23 23 ILE CG1 C 27.167 0.300 1 180 23 23 ILE CG2 C 17.615 0.300 1 181 23 23 ILE N N 117.395 0.300 1 182 24 24 ARG H H 7.997 0.030 1 183 24 24 ARG HA H 4.266 0.030 1 184 24 24 ARG HB2 H 1.417 0.030 2 185 24 24 ARG HB3 H 1.295 0.030 2 186 24 24 ARG HD2 H 3.019 0.030 2 187 24 24 ARG HG2 H 1.357 0.030 2 188 24 24 ARG HG3 H 1.256 0.030 2 189 24 24 ARG C C 175.606 0.300 1 190 24 24 ARG CA C 55.024 0.300 1 191 24 24 ARG CB C 31.516 0.300 1 192 24 24 ARG CD C 43.450 0.300 1 193 24 24 ARG CG C 26.923 0.300 1 194 24 24 ARG N N 125.820 0.300 1 195 25 25 GLY H H 7.801 0.030 1 196 25 25 GLY HA2 H 3.942 0.030 2 197 25 25 GLY HA3 H 3.665 0.030 2 198 25 25 GLY C C 171.855 0.300 1 199 25 25 GLY CA C 44.901 0.300 1 200 25 25 GLY N N 109.031 0.300 1 201 26 26 TRP H H 8.588 0.030 1 202 26 26 TRP HA H 4.878 0.030 1 203 26 26 TRP HB2 H 3.084 0.030 1 204 26 26 TRP HB3 H 3.084 0.030 1 205 26 26 TRP HD1 H 7.438 0.030 1 206 26 26 TRP HE1 H 10.358 0.030 1 207 26 26 TRP HE3 H 7.017 0.030 1 208 26 26 TRP HH2 H 6.726 0.030 1 209 26 26 TRP HZ2 H 7.226 0.030 1 210 26 26 TRP HZ3 H 6.768 0.030 1 211 26 26 TRP C C 177.082 0.300 1 212 26 26 TRP CA C 56.542 0.300 1 213 26 26 TRP CB C 30.976 0.300 1 214 26 26 TRP CD1 C 128.243 0.300 1 215 26 26 TRP CE3 C 119.647 0.300 1 216 26 26 TRP CH2 C 124.324 0.300 1 217 26 26 TRP CZ2 C 114.836 0.300 1 218 26 26 TRP CZ3 C 123.570 0.300 1 219 26 26 TRP N N 120.869 0.300 1 220 26 26 TRP NE1 N 130.333 0.300 1 221 27 27 LYS H H 8.695 0.030 1 222 27 27 LYS HA H 4.799 0.030 1 223 27 27 LYS HB2 H 1.786 0.030 2 224 27 27 LYS HB3 H 1.738 0.030 2 225 27 27 LYS HE2 H 2.934 0.030 2 226 27 27 LYS HG2 H 1.405 0.030 1 227 27 27 LYS HG3 H 1.405 0.030 1 228 27 27 LYS C C 175.877 0.300 1 229 27 27 LYS CA C 54.672 0.300 1 230 27 27 LYS CB C 35.228 0.300 1 231 27 27 LYS CD C 29.081 0.300 1 232 27 27 LYS CE C 42.271 0.300 1 233 27 27 LYS CG C 24.755 0.300 1 234 27 27 LYS N N 122.547 0.300 1 235 28 28 SER H H 8.988 0.030 1 236 28 28 SER HA H 4.878 0.030 1 237 28 28 SER HB2 H 3.847 0.030 1 238 28 28 SER HB3 H 3.847 0.030 1 239 28 28 SER C C 175.515 0.300 1 240 28 28 SER CA C 59.188 0.300 1 241 28 28 SER CB C 62.900 0.300 1 242 29 29 ARG H H 9.550 0.030 1 243 29 29 ARG HA H 5.078 0.030 1 244 29 29 ARG HB2 H 1.826 0.030 2 245 29 29 ARG HB3 H 1.987 0.030 2 246 29 29 ARG HD2 H 2.946 0.030 2 247 29 29 ARG HD3 H 3.767 0.030 2 248 29 29 ARG HG2 H 1.735 0.030 2 249 29 29 ARG HG3 H 1.427 0.030 2 250 29 29 ARG C C 173.051 0.300 1 251 29 29 ARG CA C 53.652 0.300 1 252 29 29 ARG CB C 34.981 0.300 1 253 29 29 ARG CD C 43.983 0.300 1 254 29 29 ARG CG C 26.775 0.300 1 255 29 29 ARG N N 127.944 0.300 1 256 30 30 TRP H H 8.378 0.030 1 257 30 30 TRP HA H 4.614 0.030 1 258 30 30 TRP HB2 H 2.906 0.030 2 259 30 30 TRP HB3 H 2.468 0.030 2 260 30 30 TRP HD1 H 6.917 0.030 1 261 30 30 TRP HE1 H 9.867 0.030 1 262 30 30 TRP HE3 H 7.069 0.030 1 263 30 30 TRP HH2 H 7.155 0.030 1 264 30 30 TRP HZ2 H 7.404 0.030 1 265 30 30 TRP HZ3 H 6.895 0.030 1 266 30 30 TRP C C 174.229 0.300 1 267 30 30 TRP CA C 56.312 0.300 1 268 30 30 TRP CB C 30.130 0.300 1 269 30 30 TRP CH2 C 123.598 0.300 1 270 30 30 TRP CZ2 C 114.220 0.300 1 271 30 30 TRP CZ3 C 121.830 0.300 1 272 30 30 TRP N N 122.552 0.300 1 273 30 30 TRP NE1 N 127.612 0.300 1 274 31 31 PHE H H 8.706 0.030 1 275 31 31 PHE HA H 5.347 0.030 1 276 31 31 PHE HB2 H 3.026 0.030 2 277 31 31 PHE HB3 H 2.567 0.030 2 278 31 31 PHE HD1 H 7.077 0.030 1 279 31 31 PHE HD2 H 7.077 0.030 1 280 31 31 PHE HE1 H 6.718 0.030 1 281 31 31 PHE HE2 H 6.718 0.030 1 282 31 31 PHE HZ H 6.135 0.030 1 283 31 31 PHE C C 175.647 0.300 1 284 31 31 PHE CA C 56.392 0.300 1 285 31 31 PHE CB C 42.719 0.300 1 286 31 31 PHE CD1 C 132.202 0.300 1 287 31 31 PHE CD2 C 132.202 0.300 1 288 31 31 PHE CE1 C 130.697 0.300 1 289 31 31 PHE CE2 C 130.697 0.300 1 290 31 31 PHE CZ C 128.964 0.300 1 291 31 31 PHE N N 126.462 0.300 1 292 32 32 PHE H H 8.751 0.030 1 293 32 32 PHE HA H 5.267 0.030 1 294 32 32 PHE HB2 H 2.932 0.030 2 295 32 32 PHE HB3 H 3.105 0.030 2 296 32 32 PHE HD1 H 7.065 0.030 1 297 32 32 PHE HD2 H 7.065 0.030 1 298 32 32 PHE HE1 H 7.202 0.030 1 299 32 32 PHE HE2 H 7.202 0.030 1 300 32 32 PHE HZ H 6.927 0.030 1 301 32 32 PHE C C 172.902 0.300 1 302 32 32 PHE CA C 56.338 0.300 1 303 32 32 PHE CB C 40.175 0.300 1 304 32 32 PHE CD1 C 133.402 0.300 1 305 32 32 PHE CD2 C 133.402 0.300 1 306 32 32 PHE CE1 C 130.907 0.300 1 307 32 32 PHE CE2 C 130.907 0.300 1 308 32 32 PHE CZ C 129.489 0.300 1 309 32 32 PHE N N 113.396 0.300 1 310 33 33 TYR H H 8.358 0.030 1 311 33 33 TYR HA H 5.096 0.030 1 312 33 33 TYR HB2 H 3.159 0.030 2 313 33 33 TYR HB3 H 2.807 0.030 2 314 33 33 TYR HD1 H 6.925 0.030 1 315 33 33 TYR HD2 H 6.925 0.030 1 316 33 33 TYR HE1 H 6.629 0.030 1 317 33 33 TYR HE2 H 6.629 0.030 1 318 33 33 TYR C C 173.969 0.300 1 319 33 33 TYR CA C 57.199 0.300 1 320 33 33 TYR CB C 41.284 0.300 1 321 33 33 TYR CD1 C 132.651 0.300 1 322 33 33 TYR CD2 C 132.651 0.300 1 323 33 33 TYR CE1 C 118.240 0.300 1 324 33 33 TYR CE2 C 118.240 0.300 1 325 33 33 TYR N N 123.329 0.300 1 326 34 34 ASP H H 8.487 0.030 1 327 34 34 ASP HA H 4.825 0.030 1 328 34 34 ASP HB2 H 2.824 0.030 2 329 34 34 ASP HB3 H 2.577 0.030 2 330 34 34 ASP C C 175.023 0.300 1 331 34 34 ASP CA C 52.943 0.300 1 332 34 34 ASP CB C 43.766 0.300 1 333 34 34 ASP N N 128.854 0.300 1 334 35 35 GLU H H 9.056 0.030 1 335 35 35 GLU HA H 4.095 0.030 1 336 35 35 GLU HB2 H 2.264 0.030 1 337 35 35 GLU HB3 H 2.264 0.030 1 338 35 35 GLU HG2 H 2.488 0.030 1 339 35 35 GLU HG3 H 2.488 0.030 1 340 35 35 GLU C C 177.553 0.300 1 341 35 35 GLU CA C 57.655 0.300 1 342 35 35 GLU CB C 29.564 0.300 1 343 35 35 GLU CG C 35.798 0.300 1 344 35 35 GLU N N 125.229 0.300 1 345 36 36 ARG H H 8.307 0.030 1 346 36 36 ARG HA H 4.268 0.030 1 347 36 36 ARG HB2 H 2.065 0.030 2 348 36 36 ARG HB3 H 1.952 0.030 2 349 36 36 ARG HD2 H 3.276 0.030 1 350 36 36 ARG HD3 H 3.276 0.030 1 351 36 36 ARG HG2 H 1.798 0.030 2 352 36 36 ARG HG3 H 1.719 0.030 2 353 36 36 ARG C C 178.117 0.300 1 354 36 36 ARG CA C 58.527 0.300 1 355 36 36 ARG CB C 29.760 0.300 1 356 36 36 ARG CD C 43.231 0.300 1 357 36 36 ARG CG C 27.691 0.300 1 358 36 36 ARG N N 119.001 0.300 1 359 37 37 LYS H H 7.347 0.030 1 360 37 37 LYS HA H 4.437 0.030 1 361 37 37 LYS HB2 H 1.927 0.030 2 362 37 37 LYS HB3 H 1.294 0.030 2 363 37 37 LYS HD2 H 1.663 0.030 1 364 37 37 LYS HD3 H 1.663 0.030 1 365 37 37 LYS HE2 H 2.837 0.030 2 366 37 37 LYS HE3 H 2.955 0.030 2 367 37 37 LYS HG2 H 1.397 0.030 2 368 37 37 LYS HG3 H 1.296 0.030 2 369 37 37 LYS C C 175.472 0.300 1 370 37 37 LYS CA C 54.848 0.300 1 371 37 37 LYS CB C 34.199 0.300 1 372 37 37 LYS CD C 28.979 0.300 1 373 37 37 LYS CE C 41.987 0.300 1 374 37 37 LYS CG C 25.161 0.300 1 375 37 37 LYS N N 113.821 0.300 1 376 38 38 CYS H H 7.618 0.030 1 377 38 38 CYS HA H 3.867 0.030 1 378 38 38 CYS HB2 H 2.527 0.030 2 379 38 38 CYS HB3 H 0.807 0.030 2 380 38 38 CYS C C 172.612 0.300 1 381 38 38 CYS CA C 59.251 0.300 1 382 38 38 CYS CB C 24.358 0.300 1 383 38 38 CYS N N 122.290 0.300 1 384 39 39 GLN H H 6.809 0.030 1 385 39 39 GLN HA H 4.894 0.030 1 386 39 39 GLN HB2 H 1.319 0.030 1 387 39 39 GLN HB3 H 1.319 0.030 1 388 39 39 GLN HE21 H 7.057 0.030 2 389 39 39 GLN HE22 H 6.557 0.030 2 390 39 39 GLN HG2 H 1.956 0.030 2 391 39 39 GLN HG3 H 1.921 0.030 2 392 39 39 GLN C C 172.856 0.300 1 393 39 39 GLN CA C 53.402 0.300 1 394 39 39 GLN CB C 32.802 0.300 1 395 39 39 GLN CG C 33.441 0.300 1 396 39 39 GLN N N 114.452 0.300 1 397 39 39 GLN NE2 N 110.691 0.300 1 398 40 40 LEU H H 9.075 0.030 1 399 40 40 LEU HA H 4.932 0.030 1 400 40 40 LEU HB2 H 2.186 0.030 2 401 40 40 LEU HB3 H 1.346 0.030 2 402 40 40 LEU HD1 H 1.178 0.030 1 403 40 40 LEU HD2 H 0.858 0.030 1 404 40 40 LEU HG H 1.787 0.030 1 405 40 40 LEU C C 174.381 0.300 1 406 40 40 LEU CA C 53.119 0.300 1 407 40 40 LEU CB C 45.232 0.300 1 408 40 40 LEU CD1 C 23.581 0.300 2 409 40 40 LEU CD2 C 25.941 0.300 2 410 40 40 LEU CG C 27.141 0.300 1 411 40 40 LEU N N 124.347 0.300 1 412 41 41 TYR H H 8.703 0.030 1 413 41 41 TYR HA H 4.771 0.030 1 414 41 41 TYR HB2 H 2.164 0.030 2 415 41 41 TYR HB3 H 1.307 0.030 2 416 41 41 TYR HD1 H 6.818 0.030 1 417 41 41 TYR HD2 H 6.818 0.030 1 418 41 41 TYR HE1 H 6.735 0.030 1 419 41 41 TYR HE2 H 6.735 0.030 1 420 41 41 TYR C C 175.580 0.300 1 421 41 41 TYR CA C 57.159 0.300 1 422 41 41 TYR CB C 41.600 0.300 1 423 41 41 TYR CD1 C 133.133 0.300 1 424 41 41 TYR CD2 C 133.133 0.300 1 425 41 41 TYR CE1 C 118.304 0.300 1 426 41 41 TYR CE2 C 118.304 0.300 1 427 41 41 TYR N N 126.247 0.300 1 428 42 42 TYR H H 7.207 0.030 1 429 42 42 TYR HA H 5.779 0.030 1 430 42 42 TYR HB2 H 1.797 0.030 2 431 42 42 TYR HB3 H 1.389 0.030 2 432 42 42 TYR HD1 H 6.396 0.030 1 433 42 42 TYR HD2 H 6.396 0.030 1 434 42 42 TYR HE1 H 6.618 0.030 1 435 42 42 TYR HE2 H 6.618 0.030 1 436 42 42 TYR C C 174.229 0.300 1 437 42 42 TYR CA C 55.686 0.300 1 438 42 42 TYR CB C 39.060 0.300 1 439 42 42 TYR CD1 C 133.439 0.300 1 440 42 42 TYR CD2 C 133.439 0.300 1 441 42 42 TYR CE1 C 118.561 0.300 1 442 42 42 TYR CE2 C 118.561 0.300 1 443 42 42 TYR N N 109.501 0.300 1 444 43 43 SER H H 10.012 0.030 1 445 43 43 SER HA H 4.892 0.030 1 446 43 43 SER HB2 H 4.422 0.030 2 447 43 43 SER HB3 H 3.955 0.030 2 448 43 43 SER C C 174.327 0.300 1 449 43 43 SER CA C 56.991 0.300 1 450 43 43 SER CB C 67.630 0.300 1 451 43 43 SER N N 117.281 0.300 1 452 44 44 ARG H H 9.267 0.030 1 453 44 44 ARG HA H 4.306 0.030 1 454 44 44 ARG HB2 H 2.186 0.030 2 455 44 44 ARG HB3 H 2.137 0.030 2 456 44 44 ARG HD2 H 3.370 0.030 1 457 44 44 ARG HD3 H 3.370 0.030 1 458 44 44 ARG HG2 H 1.920 0.030 2 459 44 44 ARG HG3 H 1.728 0.030 2 460 44 44 ARG C C 177.082 0.300 1 461 44 44 ARG CA C 61.287 0.300 1 462 44 44 ARG CB C 30.870 0.300 1 463 44 44 ARG CD C 43.287 0.300 1 464 44 44 ARG CG C 29.348 0.300 1 465 44 44 ARG N N 120.961 0.300 1 466 45 45 THR H H 7.828 0.030 1 467 45 45 THR HA H 4.969 0.030 1 468 45 45 THR HB H 4.463 0.030 1 469 45 45 THR HG2 H 1.284 0.030 1 470 45 45 THR C C 173.627 0.300 1 471 45 45 THR CA C 59.539 0.300 1 472 45 45 THR CB C 73.479 0.300 1 473 45 45 THR CG2 C 21.532 0.300 1 474 45 45 THR N N 104.099 0.300 1 475 46 46 ALA H H 7.617 0.030 1 476 46 46 ALA HA H 2.167 0.030 1 477 46 46 ALA HB H -0.063 0.030 1 478 46 46 ALA C C 177.722 0.300 1 479 46 46 ALA CA C 53.426 0.300 1 480 46 46 ALA CB C 16.646 0.300 1 481 46 46 ALA N N 121.238 0.300 1 482 47 47 GLN H H 7.446 0.030 1 483 47 47 GLN HA H 4.008 0.030 1 484 47 47 GLN HB2 H 2.025 0.030 2 485 47 47 GLN HB3 H 1.817 0.030 2 486 47 47 GLN HE21 H 6.747 0.030 2 487 47 47 GLN HE22 H 7.437 0.030 2 488 47 47 GLN HG2 H 2.300 0.030 2 489 47 47 GLN HG3 H 2.147 0.030 2 490 47 47 GLN C C 175.455 0.300 1 491 47 47 GLN CA C 56.374 0.300 1 492 47 47 GLN CB C 28.609 0.300 1 493 47 47 GLN CG C 34.570 0.300 1 494 47 47 GLN N N 113.626 0.300 1 495 47 47 GLN NE2 N 112.267 0.300 1 496 48 48 ASP H H 7.183 0.030 1 497 48 48 ASP HA H 4.477 0.030 1 498 48 48 ASP HB2 H 2.598 0.030 2 499 48 48 ASP HB3 H 2.902 0.030 2 500 48 48 ASP C C 175.925 0.300 1 501 48 48 ASP CA C 54.142 0.300 1 502 48 48 ASP CB C 41.302 0.300 1 503 48 48 ASP N N 121.363 0.300 1 504 49 49 ALA H H 8.428 0.030 1 505 49 49 ALA HA H 4.175 0.030 1 506 49 49 ALA HB H 1.274 0.030 1 507 49 49 ALA CA C 53.063 0.300 1 508 49 49 ALA CB C 18.873 0.300 1 509 49 49 ALA N N 125.538 0.300 1 510 50 50 ASN H H 8.027 0.030 1 511 50 50 ASN HA H 5.067 0.030 1 512 50 50 ASN HB2 H 2.696 0.030 1 513 50 50 ASN HB3 H 2.696 0.030 1 514 50 50 ASN HD21 H 7.708 0.030 2 515 50 50 ASN HD22 H 6.936 0.030 2 516 50 50 ASN CA C 50.520 0.300 1 517 50 50 ASN CB C 39.585 0.300 1 518 50 50 ASN N N 116.758 0.300 1 519 50 50 ASN ND2 N 114.500 0.300 1 520 51 51 PRO HA H 4.566 0.030 1 521 51 51 PRO HB2 H 2.136 0.030 2 522 51 51 PRO HB3 H 1.956 0.030 2 523 51 51 PRO HD2 H 3.666 0.030 2 524 51 51 PRO HD3 H 3.986 0.030 2 525 51 51 PRO HG2 H 1.852 0.030 2 526 51 51 PRO HG3 H 1.713 0.030 2 527 51 51 PRO C C 177.357 0.300 1 528 51 51 PRO CA C 62.604 0.300 1 529 51 51 PRO CB C 32.679 0.300 1 530 51 51 PRO CD C 50.834 0.300 1 531 51 51 PRO CG C 27.531 0.300 1 532 52 52 LEU H H 9.526 0.030 1 533 52 52 LEU HA H 4.169 0.030 1 534 52 52 LEU HB2 H 1.328 0.030 2 535 52 52 LEU HB3 H 1.288 0.030 2 536 52 52 LEU HD1 H 0.928 0.030 1 537 52 52 LEU HD2 H 0.949 0.030 1 538 52 52 LEU HG H 1.835 0.030 1 539 52 52 LEU C C 176.962 0.300 1 540 52 52 LEU CA C 55.985 0.300 1 541 52 52 LEU CB C 43.408 0.300 1 542 52 52 LEU CD1 C 25.456 0.300 2 543 52 52 LEU CD2 C 23.052 0.300 2 544 52 52 LEU CG C 27.355 0.300 1 545 52 52 LEU N N 122.181 0.300 1 546 53 53 ASP H H 7.207 0.030 1 547 53 53 ASP HA H 4.460 0.030 1 548 53 53 ASP HB2 H 2.488 0.030 2 549 53 53 ASP HB3 H 1.845 0.030 2 550 53 53 ASP C C 172.859 0.300 1 551 53 53 ASP CA C 52.061 0.300 1 552 53 53 ASP CB C 42.820 0.300 1 553 53 53 ASP N N 113.985 0.300 1 554 54 54 SER H H 8.584 0.030 1 555 54 54 SER HA H 4.838 0.030 1 556 54 54 SER HB2 H 3.418 0.030 2 557 54 54 SER HB3 H 3.088 0.030 2 558 54 54 SER C C 172.632 0.300 1 559 54 54 SER CA C 56.762 0.300 1 560 54 54 SER CB C 66.265 0.300 1 561 54 54 SER N N 112.130 0.300 1 562 55 55 ILE H H 8.774 0.030 1 563 55 55 ILE HA H 4.249 0.030 1 564 55 55 ILE HB H 1.837 0.030 1 565 55 55 ILE HD1 H 0.916 0.030 1 566 55 55 ILE HG12 H 1.575 0.030 2 567 55 55 ILE HG13 H 1.017 0.030 2 568 55 55 ILE HG2 H 0.777 0.030 1 569 55 55 ILE C C 174.669 0.300 1 570 55 55 ILE CA C 59.841 0.300 1 571 55 55 ILE CB C 41.512 0.300 1 572 55 55 ILE CD1 C 14.934 0.300 1 573 55 55 ILE CG1 C 27.558 0.300 1 574 55 55 ILE CG2 C 18.348 0.300 1 575 55 55 ILE N N 121.816 0.300 1 576 56 56 ASP H H 8.634 0.030 1 577 56 56 ASP HA H 4.528 0.030 1 578 56 56 ASP HB2 H 2.886 0.030 2 579 56 56 ASP HB3 H 2.727 0.030 2 580 56 56 ASP C C 176.973 0.300 1 581 56 56 ASP CA C 54.231 0.300 1 582 56 56 ASP CB C 40.901 0.300 1 583 56 56 ASP N N 127.909 0.300 1 584 57 57 LEU H H 8.547 0.030 1 585 57 57 LEU HA H 4.477 0.030 1 586 57 57 LEU HB2 H 2.216 0.030 2 587 57 57 LEU HB3 H 1.697 0.030 2 588 57 57 LEU HD1 H 1.018 0.030 1 589 57 57 LEU HD2 H 0.835 0.030 1 590 57 57 LEU HG H 1.857 0.030 1 591 57 57 LEU C C 178.551 0.300 1 592 57 57 LEU CA C 54.379 0.300 1 593 57 57 LEU CB C 41.970 0.300 1 594 57 57 LEU CD1 C 27.740 0.300 2 595 57 57 LEU CD2 C 23.838 0.300 2 596 57 57 LEU CG C 26.698 0.300 1 597 57 57 LEU N N 125.532 0.300 1 598 58 58 SER H H 8.775 0.030 1 599 58 58 SER HA H 4.058 0.030 1 600 58 58 SER HB2 H 4.069 0.030 2 601 58 58 SER HB3 H 3.969 0.030 2 602 58 58 SER C C 176.507 0.300 1 603 58 58 SER CA C 63.433 0.300 1 604 58 58 SER CB C 62.709 0.300 1 605 58 58 SER N N 117.470 0.300 1 606 59 59 SER H H 8.476 0.030 1 607 59 59 SER HA H 4.811 0.030 1 608 59 59 SER HB2 H 4.007 0.030 2 609 59 59 SER HB3 H 3.686 0.030 2 610 59 59 SER C C 173.543 0.300 1 611 59 59 SER CA C 56.665 0.300 1 612 59 59 SER CB C 63.758 0.300 1 613 59 59 SER N N 117.179 0.300 1 614 60 60 ALA H H 7.006 0.030 1 615 60 60 ALA HA H 4.664 0.030 1 616 60 60 ALA HB H 1.085 0.030 1 617 60 60 ALA C C 176.188 0.300 1 618 60 60 ALA CA C 51.414 0.300 1 619 60 60 ALA CB C 21.661 0.300 1 620 60 60 ALA N N 122.497 0.300 1 621 61 61 VAL H H 8.427 0.030 1 622 61 61 VAL HA H 3.995 0.030 1 623 61 61 VAL HB H 1.908 0.030 1 624 61 61 VAL HG1 H 0.843 0.030 1 625 61 61 VAL HG2 H 0.878 0.030 1 626 61 61 VAL C C 174.132 0.300 1 627 61 61 VAL CA C 60.793 0.300 1 628 61 61 VAL CB C 34.693 0.300 1 629 61 61 VAL CG1 C 20.573 0.300 2 630 61 61 VAL CG2 C 21.392 0.300 2 631 61 61 VAL N N 117.761 0.300 1 632 62 62 PHE H H 8.436 0.030 1 633 62 62 PHE HA H 5.587 0.030 1 634 62 62 PHE HB2 H 3.037 0.030 2 635 62 62 PHE HB3 H 2.929 0.030 2 636 62 62 PHE HD1 H 7.216 0.030 1 637 62 62 PHE HD2 H 7.216 0.030 1 638 62 62 PHE HE1 H 7.084 0.030 1 639 62 62 PHE HE2 H 7.084 0.030 1 640 62 62 PHE HZ H 6.972 0.030 1 641 62 62 PHE C C 174.998 0.300 1 642 62 62 PHE CA C 55.235 0.300 1 643 62 62 PHE CB C 41.312 0.300 1 644 62 62 PHE CD1 C 132.443 0.300 1 645 62 62 PHE CD2 C 132.443 0.300 1 646 62 62 PHE CE1 C 130.660 0.300 1 647 62 62 PHE CE2 C 130.660 0.300 1 648 62 62 PHE CZ C 128.588 0.300 1 649 62 62 PHE N N 123.476 0.300 1 650 63 63 ASP H H 8.891 0.030 1 651 63 63 ASP HA H 5.117 0.030 1 652 63 63 ASP HB2 H 2.676 0.030 2 653 63 63 ASP HB3 H 2.539 0.030 2 654 63 63 ASP C C 174.931 0.300 1 655 63 63 ASP CA C 53.497 0.300 1 656 63 63 ASP CB C 45.026 0.300 1 657 63 63 ASP N N 121.406 0.300 1 658 64 64 CYS H H 8.817 0.030 1 659 64 64 CYS HA H 4.771 0.030 1 660 64 64 CYS HB2 H 2.946 0.030 1 661 64 64 CYS HB3 H 2.946 0.030 1 662 64 64 CYS C C 173.888 0.300 1 663 64 64 CYS CA C 58.015 0.300 1 664 64 64 CYS CB C 29.020 0.300 1 665 64 64 CYS N N 120.441 0.300 1 666 65 65 LYS H H 8.558 0.030 1 667 65 65 LYS HA H 4.437 0.030 1 668 65 65 LYS HB2 H 1.828 0.030 2 669 65 65 LYS HB3 H 1.560 0.030 2 670 65 65 LYS HD2 H 1.569 0.030 1 671 65 65 LYS HD3 H 1.569 0.030 1 672 65 65 LYS HE2 H 2.895 0.030 1 673 65 65 LYS HE3 H 2.895 0.030 1 674 65 65 LYS HG2 H 1.390 0.030 2 675 65 65 LYS HG3 H 1.317 0.030 2 676 65 65 LYS C C 176.434 0.300 1 677 65 65 LYS CA C 55.554 0.300 1 678 65 65 LYS CB C 32.884 0.300 1 679 65 65 LYS CD C 28.732 0.300 1 680 65 65 LYS CE C 42.161 0.300 1 681 65 65 LYS CG C 24.903 0.300 1 682 65 65 LYS N N 125.525 0.300 1 683 66 66 ALA H H 8.583 0.030 1 684 66 66 ALA HA H 4.195 0.030 1 685 66 66 ALA HB H 1.386 0.030 1 686 66 66 ALA C C 177.510 0.300 1 687 66 66 ALA CA C 53.779 0.300 1 688 66 66 ALA CB C 18.838 0.300 1 689 66 66 ALA N N 127.351 0.300 1 690 67 67 ASP H H 8.388 0.030 1 691 67 67 ASP HA H 4.527 0.030 1 692 67 67 ASP HB2 H 2.728 0.030 2 693 67 67 ASP HB3 H 2.677 0.030 2 694 67 67 ASP C C 175.599 0.300 1 695 67 67 ASP CA C 54.002 0.300 1 696 67 67 ASP CB C 40.581 0.300 1 697 67 67 ASP N N 116.951 0.300 1 698 68 68 ALA H H 7.820 0.030 1 699 68 68 ALA HA H 4.379 0.030 1 700 68 68 ALA HB H 1.454 0.030 1 701 68 68 ALA C C 177.875 0.300 1 702 68 68 ALA CA C 52.614 0.300 1 703 68 68 ALA CB C 20.303 0.300 1 704 68 68 ALA N N 123.702 0.300 1 705 69 69 GLU H H 8.387 0.030 1 706 69 69 GLU HA H 4.177 0.030 1 707 69 69 GLU HB2 H 2.057 0.030 2 708 69 69 GLU HB3 H 1.927 0.030 2 709 69 69 GLU HG2 H 2.317 0.030 2 710 69 69 GLU HG3 H 2.267 0.030 2 711 69 69 GLU C C 176.365 0.300 1 712 69 69 GLU CA C 57.021 0.300 1 713 69 69 GLU CB C 30.171 0.300 1 714 69 69 GLU CG C 36.461 0.300 1 715 69 69 GLU N N 118.495 0.300 1 716 70 70 GLU H H 8.108 0.030 1 717 70 70 GLU HA H 4.178 0.030 1 718 70 70 GLU HB2 H 1.937 0.030 1 719 70 70 GLU HB3 H 1.937 0.030 1 720 70 70 GLU HG2 H 2.257 0.030 2 721 70 70 GLU HG3 H 2.141 0.030 2 722 70 70 GLU C C 177.174 0.300 1 723 70 70 GLU CA C 56.965 0.300 1 724 70 70 GLU CB C 30.752 0.300 1 725 70 70 GLU CG C 36.700 0.300 1 726 70 70 GLU N N 118.878 0.300 1 727 71 71 GLY H H 8.787 0.030 1 728 71 71 GLY HA2 H 3.879 0.030 2 729 71 71 GLY HA3 H 3.718 0.030 2 730 71 71 GLY C C 173.900 0.300 1 731 71 71 GLY CA C 46.524 0.300 1 732 71 71 GLY N N 109.191 0.300 1 733 72 72 ILE H H 7.517 0.030 1 734 72 72 ILE HA H 5.018 0.030 1 735 72 72 ILE HB H 1.678 0.030 1 736 72 72 ILE HD1 H 0.897 0.030 1 737 72 72 ILE HG12 H 1.445 0.030 2 738 72 72 ILE HG13 H 0.615 0.030 2 739 72 72 ILE HG2 H 0.925 0.030 1 740 72 72 ILE C C 175.474 0.300 1 741 72 72 ILE CA C 61.269 0.300 1 742 72 72 ILE CB C 38.683 0.300 1 743 72 72 ILE CD1 C 14.533 0.300 1 744 72 72 ILE CG1 C 28.523 0.300 1 745 72 72 ILE CG2 C 17.715 0.300 1 746 72 72 ILE N N 121.477 0.300 1 747 73 73 PHE H H 9.546 0.030 1 748 73 73 PHE HA H 5.235 0.030 1 749 73 73 PHE HB2 H 3.197 0.030 2 750 73 73 PHE HB3 H 3.055 0.030 2 751 73 73 PHE HD1 H 7.063 0.030 1 752 73 73 PHE HD2 H 7.063 0.030 1 753 73 73 PHE HE1 H 6.636 0.030 1 754 73 73 PHE HE2 H 6.636 0.030 1 755 73 73 PHE HZ H 6.348 0.030 1 756 73 73 PHE C C 171.192 0.300 1 757 73 73 PHE CA C 55.226 0.300 1 758 73 73 PHE CB C 41.641 0.300 1 759 73 73 PHE CD1 C 133.197 0.300 1 760 73 73 PHE CD2 C 133.197 0.300 1 761 73 73 PHE CE1 C 129.471 0.300 1 762 73 73 PHE CE2 C 129.471 0.300 1 763 73 73 PHE CZ C 129.250 0.300 1 764 73 73 PHE N N 125.775 0.300 1 765 74 74 GLU H H 9.050 0.030 1 766 74 74 GLU HA H 5.305 0.030 1 767 74 74 GLU HB2 H 1.840 0.030 2 768 74 74 GLU HB3 H 1.752 0.030 2 769 74 74 GLU HG2 H 2.063 0.030 1 770 74 74 GLU HG3 H 2.063 0.030 1 771 74 74 GLU C C 175.622 0.300 1 772 74 74 GLU CA C 54.114 0.300 1 773 74 74 GLU CB C 34.570 0.300 1 774 74 74 GLU CG C 37.447 0.300 1 775 74 74 GLU N N 117.191 0.300 1 776 75 75 ILE H H 8.816 0.030 1 777 75 75 ILE HA H 4.522 0.030 1 778 75 75 ILE HB H 1.689 0.030 1 779 75 75 ILE HD1 H 0.707 0.030 1 780 75 75 ILE HG12 H 1.109 0.030 2 781 75 75 ILE HG13 H 1.637 0.030 2 782 75 75 ILE HG2 H 0.664 0.030 1 783 75 75 ILE C C 174.429 0.300 1 784 75 75 ILE CA C 60.969 0.300 1 785 75 75 ILE CB C 39.873 0.300 1 786 75 75 ILE CD1 C 14.686 0.300 1 787 75 75 ILE CG1 C 26.537 0.300 1 788 75 75 ILE CG2 C 17.623 0.300 1 789 75 75 ILE N N 120.799 0.300 1 790 76 76 LYS H H 9.116 0.030 1 791 76 76 LYS HA H 4.999 0.030 1 792 76 76 LYS HB2 H 1.697 0.030 2 793 76 76 LYS HB3 H 1.767 0.030 2 794 76 76 LYS HD2 H 1.575 0.030 1 795 76 76 LYS HD3 H 1.575 0.030 1 796 76 76 LYS HE2 H 2.807 0.030 1 797 76 76 LYS HE3 H 2.807 0.030 1 798 76 76 LYS HG2 H 1.329 0.030 2 799 76 76 LYS HG3 H 1.246 0.030 2 800 76 76 LYS C C 175.914 0.300 1 801 76 76 LYS CA C 55.421 0.300 1 802 76 76 LYS CB C 33.661 0.300 1 803 76 76 LYS CD C 29.091 0.300 1 804 76 76 LYS CE C 42.052 0.300 1 805 76 76 LYS CG C 25.115 0.300 1 806 76 76 LYS N N 127.242 0.300 1 807 77 77 THR H H 8.960 0.030 1 808 77 77 THR HA H 4.957 0.030 1 809 77 77 THR HB H 4.794 0.030 1 810 77 77 THR HG2 H 1.138 0.030 1 811 77 77 THR C C 172.679 0.300 1 812 77 77 THR CA C 59.012 0.300 1 813 77 77 THR CB C 68.444 0.300 1 814 77 77 THR CG2 C 22.071 0.300 1 815 77 77 THR N N 119.501 0.300 1 816 78 78 PRO HA H 4.311 0.030 1 817 78 78 PRO HB2 H 2.428 0.030 2 818 78 78 PRO HB3 H 1.875 0.030 2 819 78 78 PRO HD2 H 3.746 0.030 2 820 78 78 PRO HD3 H 3.815 0.030 2 821 78 78 PRO HG2 H 2.156 0.030 2 822 78 78 PRO HG3 H 1.965 0.030 2 823 78 78 PRO CA C 65.402 0.300 1 824 78 78 PRO CB C 31.858 0.300 1 825 78 78 PRO CD C 50.751 0.300 1 826 78 78 PRO CG C 28.239 0.300 1 827 79 79 SER H H 7.817 0.030 1 828 79 79 SER HA H 4.677 0.030 1 829 79 79 SER HB2 H 3.907 0.030 2 830 79 79 SER HB3 H 3.756 0.030 2 831 79 79 SER C C 174.035 0.300 1 832 79 79 SER CA C 58.007 0.300 1 833 79 79 SER CB C 65.238 0.300 1 834 79 79 SER N N 106.794 0.300 1 835 80 80 ARG H H 7.666 0.030 1 836 80 80 ARG HA H 4.758 0.030 1 837 80 80 ARG HB2 H 1.937 0.030 2 838 80 80 ARG HB3 H 1.697 0.030 2 839 80 80 ARG HD2 H 3.168 0.030 2 840 80 80 ARG HD3 H 3.068 0.030 2 841 80 80 ARG HG2 H 1.556 0.030 2 842 80 80 ARG HG3 H 1.437 0.030 2 843 80 80 ARG C C 173.574 0.300 1 844 80 80 ARG CA C 55.897 0.300 1 845 80 80 ARG CB C 33.419 0.300 1 846 80 80 ARG CD C 43.939 0.300 1 847 80 80 ARG CG C 25.608 0.300 1 848 80 80 ARG N N 120.211 0.300 1 849 81 81 VAL H H 8.484 0.030 1 850 81 81 VAL HA H 4.857 0.030 1 851 81 81 VAL HB H 1.921 0.030 1 852 81 81 VAL HG1 H 0.771 0.030 1 853 81 81 VAL HG2 H 0.932 0.030 1 854 81 81 VAL C C 175.446 0.300 1 855 81 81 VAL CA C 61.622 0.300 1 856 81 81 VAL CB C 33.830 0.300 1 857 81 81 VAL CG1 C 20.932 0.300 2 858 81 81 VAL CG2 C 21.666 0.300 2 859 81 81 VAL N N 121.395 0.300 1 860 82 82 ILE H H 9.197 0.030 1 861 82 82 ILE HA H 4.457 0.030 1 862 82 82 ILE HB H 1.787 0.030 1 863 82 82 ILE HD1 H 0.791 0.030 1 864 82 82 ILE HG12 H 1.194 0.030 2 865 82 82 ILE HG13 H 1.410 0.030 2 866 82 82 ILE HG2 H 0.773 0.030 1 867 82 82 ILE C C 173.533 0.300 1 868 82 82 ILE CA C 59.858 0.300 1 869 82 82 ILE CB C 40.350 0.300 1 870 82 82 ILE CD1 C 14.071 0.300 1 871 82 82 ILE CG1 C 27.921 0.300 1 872 82 82 ILE CG2 C 17.874 0.300 1 873 82 82 ILE N N 128.927 0.300 1 874 83 83 THR H H 8.924 0.030 1 875 83 83 THR HA H 4.575 0.030 1 876 83 83 THR HB H 3.815 0.030 1 877 83 83 THR HG2 H 1.156 0.030 1 878 83 83 THR C C 172.719 0.300 1 879 83 83 THR CA C 63.422 0.300 1 880 83 83 THR CB C 69.166 0.300 1 881 83 83 THR CG2 C 21.990 0.300 1 882 83 83 THR N N 125.893 0.300 1 883 84 84 LEU H H 8.708 0.030 1 884 84 84 LEU HA H 5.338 0.030 1 885 84 84 LEU HB2 H 0.316 0.030 2 886 84 84 LEU HB3 H 0.008 0.030 2 887 84 84 LEU HD1 H -0.101 0.030 1 888 84 84 LEU HD2 H 0.288 0.030 1 889 84 84 LEU HG H 0.898 0.030 1 890 84 84 LEU C C 174.565 0.300 1 891 84 84 LEU CA C 52.544 0.300 1 892 84 84 LEU CB C 45.710 0.300 1 893 84 84 LEU CD1 C 25.311 0.300 2 894 84 84 LEU CD2 C 25.032 0.300 2 895 84 84 LEU CG C 26.691 0.300 1 896 84 84 LEU N N 127.352 0.300 1 897 85 85 LYS H H 8.706 0.030 1 898 85 85 LYS HA H 4.825 0.030 1 899 85 85 LYS HB2 H 0.769 0.030 2 900 85 85 LYS HB3 H 0.687 0.030 2 901 85 85 LYS HD2 H 0.710 0.030 2 902 85 85 LYS HD3 H 0.546 0.030 2 903 85 85 LYS HE2 H 1.888 0.030 2 904 85 85 LYS HE3 H 1.988 0.030 2 905 85 85 LYS HG2 H 0.947 0.030 2 906 85 85 LYS HG3 H 0.785 0.030 2 907 85 85 LYS C C 176.469 0.300 1 908 85 85 LYS CA C 55.050 0.300 1 909 85 85 LYS CB C 36.352 0.300 1 910 85 85 LYS CD C 28.829 0.300 1 911 85 85 LYS CE C 41.476 0.300 1 912 85 85 LYS CG C 24.441 0.300 1 913 85 85 LYS N N 117.945 0.300 1 914 86 86 ALA H H 8.868 0.030 1 915 86 86 ALA HA H 4.771 0.030 1 916 86 86 ALA HB H 1.524 0.030 1 917 86 86 ALA C C 176.818 0.300 1 918 86 86 ALA CA C 50.090 0.300 1 919 86 86 ALA CB C 20.724 0.300 1 920 86 86 ALA N N 131.171 0.300 1 921 87 87 ALA H H 8.757 0.030 1 922 87 87 ALA HA H 3.956 0.030 1 923 87 87 ALA HB H 1.520 0.030 1 924 87 87 ALA C C 177.699 0.300 1 925 87 87 ALA CA C 55.209 0.300 1 926 87 87 ALA CB C 19.830 0.300 1 927 87 87 ALA N N 119.616 0.300 1 928 88 88 THR H H 7.108 0.030 1 929 88 88 THR HA H 4.638 0.030 1 930 88 88 THR HB H 4.638 0.030 1 931 88 88 THR HG2 H 1.236 0.030 1 932 88 88 THR C C 174.955 0.300 1 933 88 88 THR CA C 58.217 0.300 1 934 88 88 THR CB C 74.381 0.300 1 935 88 88 THR CG2 C 22.161 0.300 1 936 88 88 THR N N 100.305 0.300 1 937 89 89 LYS H H 9.418 0.030 1 938 89 89 LYS HA H 3.916 0.030 1 939 89 89 LYS HB2 H 1.896 0.030 2 940 89 89 LYS HB3 H 1.809 0.030 2 941 89 89 LYS HD2 H 1.647 0.030 2 942 89 89 LYS HD3 H 1.677 0.030 2 943 89 89 LYS HE2 H 2.903 0.030 1 944 89 89 LYS HE3 H 2.903 0.030 1 945 89 89 LYS HG2 H 1.445 0.030 2 946 89 89 LYS HG3 H 1.279 0.030 2 947 89 89 LYS C C 177.872 0.300 1 948 89 89 LYS CA C 60.005 0.300 1 949 89 89 LYS CB C 32.350 0.300 1 950 89 89 LYS CD C 29.554 0.300 1 951 89 89 LYS CE C 42.216 0.300 1 952 89 89 LYS CG C 25.191 0.300 1 953 89 89 LYS N N 122.656 0.300 1 954 90 90 GLN H H 8.474 0.030 1 955 90 90 GLN HA H 3.918 0.030 1 956 90 90 GLN HB2 H 2.108 0.030 2 957 90 90 GLN HB3 H 2.002 0.030 2 958 90 90 GLN HE21 H 6.950 0.030 2 959 90 90 GLN HE22 H 7.566 0.030 2 960 90 90 GLN HG2 H 2.477 0.030 2 961 90 90 GLN HG3 H 2.418 0.030 2 962 90 90 GLN C C 178.711 0.300 1 963 90 90 GLN CA C 59.893 0.300 1 964 90 90 GLN CB C 27.832 0.300 1 965 90 90 GLN CG C 34.176 0.300 1 966 90 90 GLN N N 117.385 0.300 1 967 90 90 GLN NE2 N 112.561 0.300 1 968 91 91 ALA H H 8.279 0.030 1 969 91 91 ALA HA H 4.362 0.030 1 970 91 91 ALA HB H 1.673 0.030 1 971 91 91 ALA C C 179.479 0.300 1 972 91 91 ALA CA C 54.761 0.300 1 973 91 91 ALA CB C 18.847 0.300 1 974 91 91 ALA N N 123.200 0.300 1 975 92 92 MET H H 7.895 0.030 1 976 92 92 MET HA H 3.578 0.030 1 977 92 92 MET HB2 H 2.227 0.030 2 978 92 92 MET HB3 H 1.853 0.030 2 979 92 92 MET HE H 2.110 0.030 1 980 92 92 MET HG2 H 2.535 0.030 2 981 92 92 MET HG3 H 2.093 0.030 2 982 92 92 MET C C 176.729 0.300 1 983 92 92 MET CA C 59.639 0.300 1 984 92 92 MET CB C 31.403 0.300 1 985 92 92 MET CE C 17.772 0.300 1 986 92 92 MET CG C 31.408 0.300 1 987 92 92 MET N N 119.966 0.300 1 988 93 93 LEU H H 8.349 0.030 1 989 93 93 LEU HA H 3.823 0.030 1 990 93 93 LEU HB2 H 1.855 0.030 2 991 93 93 LEU HB3 H 1.416 0.030 2 992 93 93 LEU HD1 H 0.805 0.030 1 993 93 93 LEU HD2 H 0.845 0.030 1 994 93 93 LEU HG H 1.784 0.030 1 995 93 93 LEU C C 179.353 0.300 1 996 93 93 LEU CA C 57.980 0.300 1 997 93 93 LEU CB C 41.229 0.300 1 998 93 93 LEU CD1 C 22.559 0.300 2 999 93 93 LEU CD2 C 25.622 0.300 2 1000 93 93 LEU CG C 26.683 0.300 1 1001 93 93 LEU N N 118.712 0.300 1 1002 94 94 TYR H H 7.847 0.030 1 1003 94 94 TYR HA H 4.137 0.030 1 1004 94 94 TYR HB2 H 3.195 0.030 2 1005 94 94 TYR HB3 H 3.060 0.030 2 1006 94 94 TYR HD1 H 6.808 0.030 1 1007 94 94 TYR HD2 H 6.808 0.030 1 1008 94 94 TYR HE1 H 6.346 0.030 1 1009 94 94 TYR HE2 H 6.346 0.030 1 1010 94 94 TYR C C 176.806 0.300 1 1011 94 94 TYR CA C 61.563 0.300 1 1012 94 94 TYR CB C 37.735 0.300 1 1013 94 94 TYR CD1 C 133.246 0.300 1 1014 94 94 TYR CD2 C 133.246 0.300 1 1015 94 94 TYR CE1 C 117.829 0.300 1 1016 94 94 TYR CE2 C 117.829 0.300 1 1017 94 94 TYR N N 120.793 0.300 1 1018 95 95 TRP H H 8.108 0.030 1 1019 95 95 TRP HA H 3.377 0.030 1 1020 95 95 TRP HB2 H 2.898 0.030 2 1021 95 95 TRP HB3 H 2.617 0.030 2 1022 95 95 TRP HD1 H 7.437 0.030 1 1023 95 95 TRP HE1 H 10.586 0.030 1 1024 95 95 TRP HE3 H 7.125 0.030 1 1025 95 95 TRP HH2 H 6.557 0.030 1 1026 95 95 TRP HZ2 H 6.756 0.030 1 1027 95 95 TRP HZ3 H 6.575 0.030 1 1028 95 95 TRP C C 178.313 0.300 1 1029 95 95 TRP CA C 63.028 0.300 1 1030 95 95 TRP CB C 28.626 0.300 1 1031 95 95 TRP CD1 C 126.307 0.300 1 1032 95 95 TRP CE3 C 118.790 0.300 1 1033 95 95 TRP CH2 C 123.250 0.300 1 1034 95 95 TRP CZ2 C 113.554 0.300 1 1035 95 95 TRP CZ3 C 120.578 0.300 1 1036 95 95 TRP N N 120.379 0.300 1 1037 95 95 TRP NE1 N 129.190 0.300 1 1038 96 96 LEU H H 8.273 0.030 1 1039 96 96 LEU HA H 3.406 0.030 1 1040 96 96 LEU HB2 H 1.520 0.030 2 1041 96 96 LEU HB3 H 1.208 0.030 2 1042 96 96 LEU HD1 H 0.653 0.030 1 1043 96 96 LEU HD2 H 0.555 0.030 1 1044 96 96 LEU HG H 1.127 0.030 1 1045 96 96 LEU C C 179.257 0.300 1 1046 96 96 LEU CA C 58.527 0.300 1 1047 96 96 LEU CB C 42.052 0.300 1 1048 96 96 LEU CD1 C 26.183 0.300 2 1049 96 96 LEU CD2 C 24.041 0.300 2 1050 96 96 LEU CG C 26.671 0.300 1 1051 96 96 LEU N N 116.891 0.300 1 1052 97 97 GLN H H 7.986 0.030 1 1053 97 97 GLN HA H 3.839 0.030 1 1054 97 97 GLN HB2 H 2.076 0.030 2 1055 97 97 GLN HB3 H 1.988 0.030 2 1056 97 97 GLN HE21 H 7.328 0.030 2 1057 97 97 GLN HE22 H 6.733 0.030 2 1058 97 97 GLN HG2 H 2.147 0.030 2 1059 97 97 GLN HG3 H 2.394 0.030 2 1060 97 97 GLN C C 179.296 0.300 1 1061 97 97 GLN CA C 58.845 0.300 1 1062 97 97 GLN CB C 28.445 0.300 1 1063 97 97 GLN CG C 33.912 0.300 1 1064 97 97 GLN N N 118.052 0.300 1 1065 97 97 GLN NE2 N 110.895 0.300 1 1066 98 98 GLN H H 8.296 0.030 1 1067 98 98 GLN HA H 3.590 0.030 1 1068 98 98 GLN HB2 H 1.606 0.030 2 1069 98 98 GLN HB3 H 1.283 0.030 2 1070 98 98 GLN HE21 H 6.626 0.030 2 1071 98 98 GLN HE22 H 6.888 0.030 2 1072 98 98 GLN HG2 H 1.547 0.030 2 1073 98 98 GLN HG3 H 1.095 0.030 2 1074 98 98 GLN C C 178.288 0.300 1 1075 98 98 GLN CA C 57.921 0.300 1 1076 98 98 GLN CB C 29.089 0.300 1 1077 98 98 GLN CG C 33.201 0.300 1 1078 98 98 GLN N N 117.618 0.300 1 1079 98 98 GLN NE2 N 114.047 0.300 1 1080 99 99 LEU H H 8.613 0.030 1 1081 99 99 LEU HA H 3.338 0.030 1 1082 99 99 LEU HB2 H 1.206 0.030 2 1083 99 99 LEU HB3 H 0.428 0.030 2 1084 99 99 LEU HD1 H 0.708 0.030 1 1085 99 99 LEU HD2 H 0.574 0.030 1 1086 99 99 LEU HG H 1.877 0.030 1 1087 99 99 LEU C C 178.376 0.300 1 1088 99 99 LEU CA C 58.007 0.300 1 1089 99 99 LEU CB C 40.613 0.300 1 1090 99 99 LEU CD1 C 25.983 0.300 2 1091 99 99 LEU CD2 C 23.239 0.300 2 1092 99 99 LEU CG C 26.619 0.300 1 1093 99 99 LEU N N 118.965 0.300 1 1094 100 100 GLN H H 7.276 0.030 1 1095 100 100 GLN HA H 3.984 0.030 1 1096 100 100 GLN HB2 H 2.089 0.030 2 1097 100 100 GLN HB3 H 1.996 0.030 2 1098 100 100 GLN HE21 H 7.110 0.030 2 1099 100 100 GLN HE22 H 6.975 0.030 2 1100 100 100 GLN HG2 H 2.255 0.030 2 1101 100 100 GLN HG3 H 2.310 0.030 2 1102 100 100 GLN C C 178.864 0.300 1 1103 100 100 GLN CA C 59.268 0.300 1 1104 100 100 GLN CB C 28.949 0.300 1 1105 100 100 GLN CG C 34.734 0.300 1 1106 100 100 GLN N N 115.698 0.300 1 1107 100 100 GLN NE2 N 110.808 0.300 1 1108 101 101 MET H H 7.856 0.030 1 1109 101 101 MET HA H 4.267 0.030 1 1110 101 101 MET HB2 H 2.075 0.030 1 1111 101 101 MET HB3 H 2.075 0.030 1 1112 101 101 MET HE H 1.968 0.030 1 1113 101 101 MET HG2 H 2.607 0.030 2 1114 101 101 MET HG3 H 2.498 0.030 2 1115 101 101 MET C C 178.543 0.300 1 1116 101 101 MET CA C 58.704 0.300 1 1117 101 101 MET CB C 32.528 0.300 1 1118 101 101 MET CE C 16.936 0.300 1 1119 101 101 MET CG C 31.939 0.300 1 1120 101 101 MET N N 119.742 0.300 1 1121 102 102 LYS H H 8.606 0.030 1 1122 102 102 LYS HA H 4.103 0.030 1 1123 102 102 LYS HB2 H 1.568 0.030 2 1124 102 102 LYS HB3 H 1.444 0.030 2 1125 102 102 LYS HD2 H 1.575 0.030 2 1126 102 102 LYS HD3 H 1.428 0.030 2 1127 102 102 LYS HE2 H 2.767 0.030 2 1128 102 102 LYS HE3 H 2.855 0.030 2 1129 102 102 LYS HG2 H 0.707 0.030 2 1130 102 102 LYS HG3 H 1.477 0.030 2 1131 102 102 LYS C C 180.174 0.300 1 1132 102 102 LYS CA C 57.874 0.300 1 1133 102 102 LYS CB C 30.747 0.300 1 1134 102 102 LYS CD C 27.790 0.300 1 1135 102 102 LYS CE C 42.733 0.300 1 1136 102 102 LYS CG C 24.686 0.300 1 1137 102 102 LYS N N 118.613 0.300 1 1138 103 103 ARG H H 8.119 0.030 1 1139 103 103 ARG HA H 3.987 0.030 1 1140 103 103 ARG HB2 H 2.095 0.030 2 1141 103 103 ARG HB3 H 1.909 0.030 2 1142 103 103 ARG HD2 H 3.467 0.030 2 1143 103 103 ARG HD3 H 3.326 0.030 2 1144 103 103 ARG HG2 H 1.682 0.030 2 1145 103 103 ARG HG3 H 1.962 0.030 2 1146 103 103 ARG C C 177.807 0.300 1 1147 103 103 ARG CA C 60.222 0.300 1 1148 103 103 ARG CB C 29.691 0.300 1 1149 103 103 ARG CD C 43.941 0.300 1 1150 103 103 ARG CG C 28.135 0.300 1 1151 103 103 ARG N N 120.699 0.300 1 1152 104 104 TRP H H 8.108 0.030 1 1153 104 104 TRP HA H 4.397 0.030 1 1154 104 104 TRP HB2 H 3.627 0.030 2 1155 104 104 TRP HB3 H 3.446 0.030 2 1156 104 104 TRP HD1 H 7.315 0.030 1 1157 104 104 TRP HE1 H 10.175 0.030 1 1158 104 104 TRP HE3 H 7.577 0.030 1 1159 104 104 TRP HH2 H 7.180 0.030 1 1160 104 104 TRP HZ2 H 7.417 0.030 1 1161 104 104 TRP HZ3 H 7.105 0.030 1 1162 104 104 TRP C C 179.472 0.300 1 1163 104 104 TRP CA C 61.634 0.300 1 1164 104 104 TRP CB C 28.749 0.300 1 1165 104 104 TRP CD1 C 127.059 0.300 1 1166 104 104 TRP CE3 C 120.746 0.300 1 1167 104 104 TRP CH2 C 124.797 0.300 1 1168 104 104 TRP CZ2 C 114.504 0.300 1 1169 104 104 TRP CZ3 C 121.962 0.300 1 1170 104 104 TRP N N 120.094 0.300 1 1171 104 104 TRP NE1 N 129.777 0.300 1 1172 105 105 GLU H H 8.837 0.030 1 1173 105 105 GLU HA H 3.806 0.030 1 1174 105 105 GLU HB2 H 2.336 0.030 2 1175 105 105 GLU HB3 H 2.116 0.030 2 1176 105 105 GLU HG2 H 2.779 0.030 2 1177 105 105 GLU HG3 H 2.404 0.030 2 1178 105 105 GLU C C 178.744 0.300 1 1179 105 105 GLU CA C 59.409 0.300 1 1180 105 105 GLU CB C 30.083 0.300 1 1181 105 105 GLU CG C 37.022 0.300 1 1182 105 105 GLU N N 119.766 0.300 1 1183 106 106 PHE H H 8.157 0.030 1 1184 106 106 PHE HA H 4.236 0.030 1 1185 106 106 PHE HB2 H 3.398 0.030 2 1186 106 106 PHE HB3 H 3.157 0.030 2 1187 106 106 PHE HD1 H 6.820 0.030 1 1188 106 106 PHE HD2 H 6.820 0.030 1 1189 106 106 PHE HE1 H 7.197 0.030 1 1190 106 106 PHE HE2 H 7.197 0.030 1 1191 106 106 PHE HZ H 7.175 0.030 1 1192 106 106 PHE C C 177.227 0.300 1 1193 106 106 PHE CA C 61.299 0.300 1 1194 106 106 PHE CB C 39.630 0.300 1 1195 106 106 PHE CD1 C 132.048 0.300 1 1196 106 106 PHE CD2 C 132.048 0.300 1 1197 106 106 PHE CE1 C 131.351 0.300 1 1198 106 106 PHE CE2 C 131.351 0.300 1 1199 106 106 PHE CZ C 129.751 0.300 1 1200 106 106 PHE N N 120.094 0.300 1 1201 107 107 HIS H H 7.558 0.030 1 1202 107 107 HIS HA H 4.343 0.030 1 1203 107 107 HIS HB2 H 3.112 0.030 2 1204 107 107 HIS HB3 H 2.920 0.030 2 1205 107 107 HIS HD2 H 7.184 0.030 1 1206 107 107 HIS HE1 H 8.003 0.030 1 1207 107 107 HIS C C 176.105 0.300 1 1208 107 107 HIS CA C 57.980 0.300 1 1209 107 107 HIS CB C 31.651 0.300 1 1210 107 107 HIS CD2 C 119.973 0.300 1 1211 107 107 HIS CE1 C 138.587 0.300 1 1212 107 107 HIS N N 115.117 0.300 1 1213 108 108 ASN H H 7.767 0.030 1 1214 108 108 ASN HA H 4.544 0.030 1 1215 108 108 ASN HB2 H 2.197 0.030 2 1216 108 108 ASN HB3 H 1.537 0.030 2 1217 108 108 ASN HD21 H 6.482 0.030 2 1218 108 108 ASN HD22 H 6.858 0.030 2 1219 108 108 ASN C C 174.337 0.300 1 1220 108 108 ASN CA C 53.814 0.300 1 1221 108 108 ASN CB C 39.493 0.300 1 1222 108 108 ASN N N 117.203 0.300 1 1223 108 108 ASN ND2 N 114.753 0.300 1 1224 109 109 SER H H 7.878 0.030 1 1225 109 109 SER HA H 4.669 0.030 1 1226 109 109 SER HB2 H 3.825 0.030 2 1227 109 109 SER HB3 H 3.717 0.030 2 1228 109 109 SER C C 171.444 0.300 1 1229 109 109 SER CA C 56.542 0.300 1 1230 109 109 SER CB C 63.264 0.300 1 1231 109 109 SER N N 116.371 0.300 1 1232 110 110 PRO HA H 4.596 0.030 1 1233 110 110 PRO HB2 H 2.258 0.030 2 1234 110 110 PRO HB3 H 1.825 0.030 2 1235 110 110 PRO HD2 H 3.655 0.030 2 1236 110 110 PRO HD3 H 3.581 0.030 2 1237 110 110 PRO HG2 H 2.009 0.030 2 1238 110 110 PRO HG3 H 1.963 0.030 2 1239 110 110 PRO CA C 61.559 0.300 1 1240 110 110 PRO CB C 30.742 0.300 1 1241 110 110 PRO CD C 50.573 0.300 1 1242 110 110 PRO CG C 27.329 0.300 1 1243 111 111 PRO HA H 4.362 0.030 1 1244 111 111 PRO HB2 H 2.249 0.030 2 1245 111 111 PRO HB3 H 1.868 0.030 2 1246 111 111 PRO HD2 H 3.737 0.030 2 1247 111 111 PRO HD3 H 3.551 0.030 2 1248 111 111 PRO HG2 H 2.019 0.030 1 1249 111 111 PRO HG3 H 2.019 0.030 1 1250 111 111 PRO C C 176.382 0.300 1 1251 111 111 PRO CA C 62.702 0.300 1 1252 111 111 PRO CB C 31.939 0.300 1 1253 111 111 PRO CD C 50.520 0.300 1 1254 111 111 PRO CG C 27.252 0.300 1 1255 112 112 ALA H H 8.389 0.030 1 1256 112 112 ALA HA H 4.555 0.030 1 1257 112 112 ALA HB H 1.352 0.030 1 1258 112 112 ALA C C 175.756 0.300 1 1259 112 112 ALA CA C 50.332 0.300 1 1260 112 112 ALA CB C 18.037 0.300 1 1261 112 112 ALA N N 125.671 0.300 1 1262 113 113 PRO HA H 4.450 0.030 1 1263 113 113 PRO HB2 H 2.297 0.030 2 1264 113 113 PRO HB3 H 1.941 0.030 2 1265 113 113 PRO HD2 H 3.637 0.030 2 1266 113 113 PRO HD3 H 3.797 0.030 2 1267 113 113 PRO HG2 H 2.020 0.030 1 1268 113 113 PRO HG3 H 2.020 0.030 1 1269 113 113 PRO C C 177.059 0.300 1 1270 113 113 PRO CA C 63.129 0.300 1 1271 113 113 PRO CB C 32.221 0.300 1 1272 113 113 PRO CD C 50.485 0.300 1 1273 113 113 PRO CG C 27.052 0.300 1 1274 114 114 SER H H 8.440 0.030 1 1275 114 114 SER HA H 4.466 0.030 1 1276 114 114 SER C C 174.647 0.300 1 1277 114 114 SER CA C 58.323 0.300 1 1278 114 114 SER CB C 64.128 0.300 1 1279 114 114 SER N N 116.196 0.300 1 1280 115 115 GLY H H 8.236 0.030 1 1281 115 115 GLY HA2 H 4.156 0.030 2 1282 115 115 GLY HA3 H 4.088 0.030 2 1283 115 115 GLY C C 171.783 0.300 1 1284 115 115 GLY CA C 44.651 0.300 1 1285 115 115 GLY N N 110.607 0.300 1 1286 116 116 PRO HD2 H 3.617 0.030 1 1287 116 116 PRO HD3 H 3.617 0.030 1 1288 116 116 PRO HG2 H 1.959 0.030 2 1289 116 116 PRO HG3 H 2.021 0.030 2 1290 116 116 PRO CA C 63.301 0.300 1 1291 116 116 PRO CB C 32.217 0.300 1 1292 116 116 PRO CD C 49.773 0.300 1 1293 116 116 PRO CG C 27.418 0.300 1 stop_ save_