data_10144 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RhoGAP domain from human Rho GTPase activating protein 5 variant ; _BMRB_accession_number 10144 _BMRB_flat_file_name bmr10144.str _Entry_type new _Submission_date 2007-12-04 _Accession_date 2007-12-05 _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 Tomizawa T. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 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" 1270 "13C chemical shifts" 955 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RhoGAP domain from human Rho GTPase activating protein 5 variant ; _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 Tomizawa T. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Rho GTPase activating protein 5 variant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rho GTPase activating protein 5 variant' $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 'RhoGAP domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 209 _Mol_residue_sequence ; GSSGSSGWESNYFGMPLQDL VTAEKPIPLFVEKCVEFIED TGLCTEGLYRVSGNKTDQDN IQKQFDQDHNINLVSMEVTV NAVAGALKAFFADLPDPLIP YSLHPELLEAAKIPDKTERL HALKEIVKKFHPVNYDVFRY VITHLNRVSQQHKINLMTAD NLSICFWPTLMRPDFENREF LSTTKIHQSVVETFIQQCQF FFYNGEIVE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TRP 9 GLU 10 SER 11 ASN 12 TYR 13 PHE 14 GLY 15 MET 16 PRO 17 LEU 18 GLN 19 ASP 20 LEU 21 VAL 22 THR 23 ALA 24 GLU 25 LYS 26 PRO 27 ILE 28 PRO 29 LEU 30 PHE 31 VAL 32 GLU 33 LYS 34 CYS 35 VAL 36 GLU 37 PHE 38 ILE 39 GLU 40 ASP 41 THR 42 GLY 43 LEU 44 CYS 45 THR 46 GLU 47 GLY 48 LEU 49 TYR 50 ARG 51 VAL 52 SER 53 GLY 54 ASN 55 LYS 56 THR 57 ASP 58 GLN 59 ASP 60 ASN 61 ILE 62 GLN 63 LYS 64 GLN 65 PHE 66 ASP 67 GLN 68 ASP 69 HIS 70 ASN 71 ILE 72 ASN 73 LEU 74 VAL 75 SER 76 MET 77 GLU 78 VAL 79 THR 80 VAL 81 ASN 82 ALA 83 VAL 84 ALA 85 GLY 86 ALA 87 LEU 88 LYS 89 ALA 90 PHE 91 PHE 92 ALA 93 ASP 94 LEU 95 PRO 96 ASP 97 PRO 98 LEU 99 ILE 100 PRO 101 TYR 102 SER 103 LEU 104 HIS 105 PRO 106 GLU 107 LEU 108 LEU 109 GLU 110 ALA 111 ALA 112 LYS 113 ILE 114 PRO 115 ASP 116 LYS 117 THR 118 GLU 119 ARG 120 LEU 121 HIS 122 ALA 123 LEU 124 LYS 125 GLU 126 ILE 127 VAL 128 LYS 129 LYS 130 PHE 131 HIS 132 PRO 133 VAL 134 ASN 135 TYR 136 ASP 137 VAL 138 PHE 139 ARG 140 TYR 141 VAL 142 ILE 143 THR 144 HIS 145 LEU 146 ASN 147 ARG 148 VAL 149 SER 150 GLN 151 GLN 152 HIS 153 LYS 154 ILE 155 ASN 156 LEU 157 MET 158 THR 159 ALA 160 ASP 161 ASN 162 LEU 163 SER 164 ILE 165 CYS 166 PHE 167 TRP 168 PRO 169 THR 170 LEU 171 MET 172 ARG 173 PRO 174 ASP 175 PHE 176 GLU 177 ASN 178 ARG 179 GLU 180 PHE 181 LEU 182 SER 183 THR 184 THR 185 LYS 186 ILE 187 HIS 188 GLN 189 SER 190 VAL 191 VAL 192 GLU 193 THR 194 PHE 195 ILE 196 GLN 197 GLN 198 CYS 199 GLN 200 PHE 201 PHE 202 PHE 203 TYR 204 ASN 205 GLY 206 GLU 207 ILE 208 VAL 209 GLU 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 2EE4 "Solution Structure Of The Rhogap Domain From Human Rho Gtpase Activating Protein 5 Variant" 100.00 209 100.00 100.00 6.33e-154 DBJ BAD92988 "Rho GTPase activating protein 5 variant [Homo sapiens]" 97.13 1138 99.51 99.51 1.80e-138 GB AAH50059 "ARHGAP5 protein [Homo sapiens]" 97.13 1502 99.01 99.01 5.95e-135 GB AAH75799 "ARHGAP5 protein [Homo sapiens]" 80.38 237 100.00 100.00 2.37e-120 GB AAI29929 "ARHGAP5 protein [Homo sapiens]" 93.30 241 100.00 100.00 4.69e-141 GB AAI50824 "Rho GTPase activating protein 5 [Mus musculus]" 97.13 1503 98.03 98.52 7.36e-134 GB AIC62940 "ARHGAP5, partial [synthetic construct]" 80.38 237 100.00 100.00 2.37e-120 REF NP_001025226 "rho GTPase-activating protein 5 isoform a [Homo sapiens]" 97.13 1502 99.51 99.51 6.46e-136 REF NP_001164 "rho GTPase-activating protein 5 isoform b [Homo sapiens]" 97.13 1501 99.51 99.51 6.39e-136 REF NP_001185592 "Rho GTPase activating protein 5 [Macaca mulatta]" 97.13 1502 98.52 99.51 3.39e-134 REF NP_033836 "rho GTPase-activating protein 5 [Mus musculus]" 97.13 1503 98.03 98.52 6.72e-134 REF XP_001915097 "PREDICTED: rho GTPase-activating protein 5 [Equus caballus]" 97.13 1418 98.03 99.51 2.97e-134 SP P97393 "RecName: Full=Rho GTPase-activating protein 5; AltName: Full=Rho-type GTPase-activating protein 5; AltName: Full=p190-B" 97.13 1501 98.03 98.52 1.10e-133 SP Q13017 "RecName: Full=Rho GTPase-activating protein 5; AltName: Full=Rho-type GTPase-activating protein 5; AltName: Full=p190-B" 97.13 1502 99.51 99.51 6.46e-136 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 P060123-14 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 topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _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_5 _Saveframe_category software _Name kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _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 'Rho GTPase activating protein 5 variant' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY CA C 43.648 0.300 1 2 1 1 GLY HA2 H 3.847 0.030 1 3 1 1 GLY HA3 H 3.847 0.030 1 4 3 3 SER CA C 58.449 0.300 1 5 3 3 SER CB C 63.637 0.300 1 6 3 3 SER C C 175.072 0.300 1 7 4 4 GLY N N 111.115 0.300 1 8 4 4 GLY H H 8.447 0.030 1 9 4 4 GLY CA C 45.366 0.300 1 10 4 4 GLY HA2 H 3.990 0.030 1 11 4 4 GLY HA3 H 3.990 0.030 1 12 4 4 GLY C C 174.605 0.300 1 13 5 5 SER N N 116.143 0.300 1 14 5 5 SER H H 8.356 0.030 1 15 5 5 SER CA C 58.692 0.300 1 16 5 5 SER HA H 4.345 0.030 1 17 5 5 SER CB C 63.622 0.300 1 18 5 5 SER HB2 H 3.805 0.030 2 19 5 5 SER C C 174.981 0.300 1 20 6 6 SER N N 117.569 0.300 1 21 6 6 SER H H 8.420 0.030 1 22 6 6 SER CA C 58.658 0.300 1 23 6 6 SER HA H 4.398 0.030 1 24 6 6 SER CB C 63.689 0.300 1 25 6 6 SER HB2 H 3.785 0.030 1 26 6 6 SER HB3 H 3.785 0.030 1 27 6 6 SER C C 175.027 0.300 1 28 7 7 GLY N N 110.485 0.300 1 29 7 7 GLY H H 8.262 0.030 1 30 7 7 GLY CA C 45.419 0.300 1 31 7 7 GLY HA2 H 3.899 0.030 2 32 7 7 GLY HA3 H 3.947 0.030 2 33 7 7 GLY C C 173.462 0.300 1 34 8 8 TRP N N 120.548 0.300 1 35 8 8 TRP H H 7.863 0.030 1 36 8 8 TRP CA C 56.430 0.300 1 37 8 8 TRP HA H 4.760 0.030 1 38 8 8 TRP CB C 29.887 0.300 1 39 8 8 TRP HB2 H 3.304 0.030 2 40 8 8 TRP HB3 H 3.234 0.030 2 41 8 8 TRP CD1 C 127.585 0.300 1 42 8 8 TRP HD1 H 7.178 0.030 1 43 8 8 TRP NE1 N 130.457 0.300 1 44 8 8 TRP HE1 H 10.562 0.030 1 45 8 8 TRP CE3 C 121.134 0.300 1 46 8 8 TRP HE3 H 7.552 0.030 1 47 8 8 TRP CZ2 C 114.155 0.300 1 48 8 8 TRP HZ2 H 7.242 0.030 1 49 8 8 TRP CZ3 C 121.583 0.300 1 50 8 8 TRP HZ3 H 7.017 0.030 1 51 8 8 TRP CH2 C 124.118 0.300 1 52 8 8 TRP HH2 H 6.980 0.030 1 53 8 8 TRP C C 175.083 0.300 1 54 9 9 GLU N N 123.351 0.300 1 55 9 9 GLU H H 8.672 0.030 1 56 9 9 GLU CA C 56.102 0.300 1 57 9 9 GLU HA H 4.241 0.030 1 58 9 9 GLU CB C 30.440 0.300 1 59 9 9 GLU HB2 H 1.862 0.030 2 60 9 9 GLU HB3 H 1.951 0.030 2 61 9 9 GLU CG C 36.194 0.300 1 62 9 9 GLU HG2 H 2.140 0.030 1 63 9 9 GLU HG3 H 2.140 0.030 1 64 9 9 GLU C C 175.275 0.300 1 65 10 10 SER N N 116.758 0.300 1 66 10 10 SER H H 8.308 0.030 1 67 10 10 SER CA C 57.170 0.300 1 68 10 10 SER HA H 4.670 0.030 1 69 10 10 SER CB C 64.792 0.300 1 70 10 10 SER HB2 H 3.813 0.030 1 71 10 10 SER HB3 H 3.813 0.030 1 72 10 10 SER C C 174.550 0.300 1 73 11 11 ASN N N 123.591 0.300 1 74 11 11 ASN H H 8.939 0.030 1 75 11 11 ASN CA C 53.013 0.300 1 76 11 11 ASN HA H 4.957 0.030 1 77 11 11 ASN CB C 38.767 0.300 1 78 11 11 ASN HB2 H 2.932 0.030 1 79 11 11 ASN HB3 H 2.932 0.030 1 80 11 11 ASN ND2 N 112.452 0.300 1 81 11 11 ASN HD21 H 7.596 0.030 2 82 11 11 ASN HD22 H 6.929 0.030 2 83 11 11 ASN C C 173.616 0.300 1 84 12 12 TYR N N 123.264 0.300 1 85 12 12 TYR H H 9.086 0.030 1 86 12 12 TYR CA C 60.770 0.300 1 87 12 12 TYR HA H 4.131 0.030 1 88 12 12 TYR CB C 42.535 0.300 1 89 12 12 TYR HB2 H 2.713 0.030 2 90 12 12 TYR HB3 H 2.850 0.030 2 91 12 12 TYR HD1 H 6.157 0.030 1 92 12 12 TYR HD2 H 6.157 0.030 1 93 12 12 TYR CE1 C 118.443 0.300 1 94 12 12 TYR HE1 H 6.553 0.030 1 95 12 12 TYR CE2 C 118.443 0.300 1 96 12 12 TYR HE2 H 6.553 0.030 1 97 12 12 TYR C C 174.175 0.300 1 98 13 13 PHE N N 119.089 0.300 1 99 13 13 PHE H H 8.218 0.030 1 100 13 13 PHE CA C 59.213 0.300 1 101 13 13 PHE HA H 4.160 0.030 1 102 13 13 PHE CB C 38.639 0.300 1 103 13 13 PHE HB2 H 2.531 0.030 2 104 13 13 PHE HB3 H 3.229 0.030 2 105 13 13 PHE CD1 C 132.200 0.300 1 106 13 13 PHE HD1 H 7.523 0.030 1 107 13 13 PHE CD2 C 132.200 0.300 1 108 13 13 PHE HD2 H 7.523 0.030 1 109 13 13 PHE CE1 C 131.260 0.300 1 110 13 13 PHE HE1 H 6.938 0.030 1 111 13 13 PHE CE2 C 131.260 0.300 1 112 13 13 PHE HE2 H 6.938 0.030 1 113 13 13 PHE CZ C 130.897 0.300 1 114 13 13 PHE HZ H 7.266 0.030 1 115 13 13 PHE C C 176.565 0.300 1 116 14 14 GLY N N 110.125 0.300 1 117 14 14 GLY H H 8.639 0.030 1 118 14 14 GLY CA C 45.470 0.300 1 119 14 14 GLY HA2 H 3.999 0.030 1 120 14 14 GLY HA3 H 3.999 0.030 1 121 14 14 GLY C C 174.141 0.300 1 122 15 15 MET N N 118.858 0.300 1 123 15 15 MET H H 7.319 0.030 1 124 15 15 MET CA C 51.712 0.300 1 125 15 15 MET HA H 4.887 0.030 1 126 15 15 MET CB C 32.098 0.300 1 127 15 15 MET HB2 H 1.983 0.030 2 128 15 15 MET HB3 H 2.391 0.030 2 129 15 15 MET CG C 31.068 0.300 1 130 15 15 MET HG2 H 1.689 0.030 2 131 15 15 MET HG3 H 1.745 0.030 2 132 15 15 MET CE C 17.621 0.300 1 133 15 15 MET HE H 2.048 0.030 1 134 15 15 MET C C 172.963 0.300 1 135 16 16 PRO CA C 62.803 0.300 1 136 16 16 PRO HA H 4.154 0.030 1 137 16 16 PRO CB C 32.006 0.300 1 138 16 16 PRO HB2 H 1.751 0.030 2 139 16 16 PRO HB3 H 2.299 0.030 2 140 16 16 PRO CG C 28.161 0.300 1 141 16 16 PRO HG2 H 2.104 0.030 2 142 16 16 PRO HG3 H 1.924 0.030 2 143 16 16 PRO CD C 50.035 0.300 1 144 16 16 PRO HD2 H 3.652 0.030 2 145 16 16 PRO HD3 H 3.172 0.030 2 146 16 16 PRO C C 177.177 0.300 1 147 17 17 LEU N N 124.271 0.300 1 148 17 17 LEU H H 8.572 0.030 1 149 17 17 LEU CA C 58.001 0.300 1 150 17 17 LEU HA H 3.741 0.030 1 151 17 17 LEU CB C 42.803 0.300 1 152 17 17 LEU HB2 H 1.732 0.030 2 153 17 17 LEU HB3 H 1.588 0.030 2 154 17 17 LEU CG C 26.415 0.300 1 155 17 17 LEU HG H 1.669 0.030 1 156 17 17 LEU CD1 C 24.463 0.300 2 157 17 17 LEU HD1 H 1.093 0.030 1 158 17 17 LEU CD2 C 25.859 0.300 2 159 17 17 LEU HD2 H 0.937 0.030 1 160 17 17 LEU C C 178.579 0.300 1 161 18 18 GLN N N 111.553 0.300 1 162 18 18 GLN H H 8.677 0.030 1 163 18 18 GLN CA C 58.530 0.300 1 164 18 18 GLN HA H 3.964 0.030 1 165 18 18 GLN CB C 27.932 0.300 1 166 18 18 GLN HB2 H 2.028 0.030 2 167 18 18 GLN HB3 H 2.071 0.030 2 168 18 18 GLN CG C 33.755 0.300 1 169 18 18 GLN HG2 H 2.318 0.030 2 170 18 18 GLN HG3 H 2.358 0.030 2 171 18 18 GLN NE2 N 111.851 0.300 1 172 18 18 GLN HE21 H 7.233 0.030 2 173 18 18 GLN HE22 H 6.805 0.030 2 174 18 18 GLN C C 176.348 0.300 1 175 19 19 ASP N N 117.972 0.300 1 176 19 19 ASP H H 7.706 0.030 1 177 19 19 ASP CA C 55.660 0.300 1 178 19 19 ASP HA H 4.651 0.030 1 179 19 19 ASP CB C 40.308 0.300 1 180 19 19 ASP HB2 H 2.710 0.030 1 181 19 19 ASP HB3 H 2.710 0.030 1 182 19 19 ASP C C 177.197 0.300 1 183 20 20 LEU N N 117.595 0.300 1 184 20 20 LEU H H 7.784 0.030 1 185 20 20 LEU CA C 54.176 0.300 1 186 20 20 LEU HA H 4.452 0.030 1 187 20 20 LEU CB C 43.642 0.300 1 188 20 20 LEU HB2 H 1.797 0.030 2 189 20 20 LEU HB3 H 1.526 0.030 2 190 20 20 LEU CG C 25.566 0.300 1 191 20 20 LEU HG H 1.576 0.030 1 192 20 20 LEU CD1 C 25.666 0.300 2 193 20 20 LEU HD1 H 0.608 0.030 1 194 20 20 LEU CD2 C 20.616 0.300 2 195 20 20 LEU HD2 H 0.145 0.030 1 196 20 20 LEU C C 176.508 0.300 1 197 21 21 VAL N N 110.372 0.300 1 198 21 21 VAL H H 7.029 0.030 1 199 21 21 VAL CA C 58.999 0.300 1 200 21 21 VAL HA H 4.937 0.030 1 201 21 21 VAL CB C 35.555 0.300 1 202 21 21 VAL HB H 2.391 0.030 1 203 21 21 VAL CG1 C 21.124 0.300 2 204 21 21 VAL HG1 H 0.700 0.030 1 205 21 21 VAL CG2 C 18.026 0.300 2 206 21 21 VAL HG2 H 0.862 0.030 1 207 21 21 VAL C C 174.187 0.300 1 208 22 22 THR N N 110.294 0.300 1 209 22 22 THR H H 7.814 0.030 1 210 22 22 THR CA C 59.378 0.300 1 211 22 22 THR HA H 4.770 0.030 1 212 22 22 THR CB C 73.126 0.300 1 213 22 22 THR HB H 4.617 0.030 1 214 22 22 THR CG2 C 22.055 0.300 1 215 22 22 THR HG2 H 1.210 0.030 1 216 22 22 THR C C 175.481 0.300 1 217 23 23 ALA N N 122.297 0.300 1 218 23 23 ALA H H 8.766 0.030 1 219 23 23 ALA CA C 55.053 0.300 1 220 23 23 ALA HA H 4.060 0.030 1 221 23 23 ALA CB C 18.104 0.300 1 222 23 23 ALA HB H 1.437 0.030 1 223 23 23 ALA C C 179.496 0.300 1 224 24 24 GLU N N 113.917 0.300 1 225 24 24 GLU H H 8.009 0.030 1 226 24 24 GLU CA C 58.046 0.300 1 227 24 24 GLU HA H 4.135 0.030 1 228 24 24 GLU CB C 30.279 0.300 1 229 24 24 GLU HB2 H 1.980 0.030 2 230 24 24 GLU HB3 H 2.028 0.030 2 231 24 24 GLU CG C 36.953 0.300 1 232 24 24 GLU HG2 H 2.282 0.030 2 233 24 24 GLU HG3 H 2.359 0.030 2 234 24 24 GLU C C 176.450 0.300 1 235 25 25 LYS N N 119.898 0.300 1 236 25 25 LYS H H 7.457 0.030 1 237 25 25 LYS CA C 52.732 0.300 1 238 25 25 LYS HA H 4.834 0.030 1 239 25 25 LYS CB C 31.695 0.300 1 240 25 25 LYS HB2 H 1.832 0.030 1 241 25 25 LYS HB3 H 1.832 0.030 1 242 25 25 LYS CG C 23.780 0.300 1 243 25 25 LYS HG2 H 1.277 0.030 2 244 25 25 LYS HG3 H 1.381 0.030 2 245 25 25 LYS CD C 28.623 0.300 1 246 25 25 LYS HD2 H 1.814 0.030 2 247 25 25 LYS HD3 H 1.741 0.030 2 248 25 25 LYS CE C 42.072 0.300 1 249 25 25 LYS HE2 H 2.960 0.030 2 250 25 25 LYS HE3 H 3.083 0.030 2 251 25 25 LYS C C 174.346 0.300 1 252 26 26 PRO CA C 64.247 0.300 1 253 26 26 PRO HA H 4.584 0.030 1 254 26 26 PRO CB C 33.717 0.300 1 255 26 26 PRO HB2 H 2.046 0.030 2 256 26 26 PRO HB3 H 2.315 0.030 2 257 26 26 PRO CG C 26.811 0.300 1 258 26 26 PRO HG2 H 1.777 0.030 2 259 26 26 PRO HG3 H 1.978 0.030 2 260 26 26 PRO CD C 50.785 0.300 1 261 26 26 PRO HD2 H 3.707 0.030 2 262 26 26 PRO HD3 H 3.294 0.030 2 263 26 26 PRO C C 174.250 0.300 1 264 27 27 ILE N N 117.690 0.300 1 265 27 27 ILE H H 7.895 0.030 1 266 27 27 ILE CA C 54.271 0.300 1 267 27 27 ILE HA H 4.523 0.030 1 268 27 27 ILE CB C 37.227 0.300 1 269 27 27 ILE HB H 1.768 0.030 1 270 27 27 ILE CG1 C 26.410 0.300 1 271 27 27 ILE HG12 H 1.350 0.030 2 272 27 27 ILE HG13 H 0.738 0.030 2 273 27 27 ILE CG2 C 15.892 0.300 1 274 27 27 ILE HG2 H 0.131 0.030 1 275 27 27 ILE CD1 C 9.942 0.300 1 276 27 27 ILE HD1 H 0.461 0.030 1 277 27 27 ILE C C 174.852 0.300 1 278 28 28 PRO CA C 62.990 0.300 1 279 28 28 PRO HA H 4.277 0.030 1 280 28 28 PRO CB C 32.080 0.300 1 281 28 28 PRO HB2 H 1.464 0.030 2 282 28 28 PRO HB3 H 2.474 0.030 2 283 28 28 PRO CG C 28.251 0.300 1 284 28 28 PRO HG2 H 1.911 0.030 1 285 28 28 PRO HG3 H 1.911 0.030 1 286 28 28 PRO CD C 51.216 0.300 1 287 28 28 PRO HD2 H 3.216 0.030 2 288 28 28 PRO HD3 H 3.874 0.030 2 289 28 28 PRO C C 176.945 0.300 1 290 29 29 LEU N N 128.677 0.300 1 291 29 29 LEU H H 8.961 0.030 1 292 29 29 LEU CA C 57.866 0.300 1 293 29 29 LEU HA H 4.285 0.030 1 294 29 29 LEU CB C 42.404 0.300 1 295 29 29 LEU HB2 H 2.066 0.030 2 296 29 29 LEU HB3 H 1.730 0.030 2 297 29 29 LEU CG C 27.460 0.300 1 298 29 29 LEU HG H 1.684 0.030 1 299 29 29 LEU CD1 C 23.117 0.300 2 300 29 29 LEU HD1 H 1.139 0.030 1 301 29 29 LEU CD2 C 26.053 0.300 2 302 29 29 LEU HD2 H 1.155 0.030 1 303 29 29 LEU C C 177.651 0.300 1 304 30 30 PHE N N 113.770 0.300 1 305 30 30 PHE H H 7.644 0.030 1 306 30 30 PHE CA C 62.175 0.300 1 307 30 30 PHE HA H 3.165 0.030 1 308 30 30 PHE CB C 41.152 0.300 1 309 30 30 PHE HB2 H 1.964 0.030 2 310 30 30 PHE HB3 H 1.741 0.030 2 311 30 30 PHE CD1 C 131.270 0.300 1 312 30 30 PHE HD1 H 5.901 0.030 1 313 30 30 PHE CD2 C 131.270 0.300 1 314 30 30 PHE HD2 H 5.901 0.030 1 315 30 30 PHE CE1 C 130.973 0.300 1 316 30 30 PHE HE1 H 7.047 0.030 1 317 30 30 PHE CE2 C 130.973 0.300 1 318 30 30 PHE HE2 H 7.047 0.030 1 319 30 30 PHE CZ C 129.571 0.300 1 320 30 30 PHE HZ H 6.874 0.030 1 321 30 30 PHE C C 176.347 0.300 1 322 31 31 VAL N N 114.120 0.300 1 323 31 31 VAL H H 6.279 0.030 1 324 31 31 VAL CA C 65.432 0.300 1 325 31 31 VAL HA H 3.035 0.030 1 326 31 31 VAL CB C 31.315 0.300 1 327 31 31 VAL HB H 1.963 0.030 1 328 31 31 VAL CG1 C 21.000 0.300 2 329 31 31 VAL HG1 H 0.950 0.030 1 330 31 31 VAL CG2 C 24.428 0.300 2 331 31 31 VAL HG2 H 0.312 0.030 1 332 31 31 VAL C C 176.148 0.300 1 333 32 32 GLU N N 118.266 0.300 1 334 32 32 GLU H H 7.384 0.030 1 335 32 32 GLU CA C 59.091 0.300 1 336 32 32 GLU HA H 4.264 0.030 1 337 32 32 GLU CB C 30.666 0.300 1 338 32 32 GLU HB2 H 1.905 0.030 1 339 32 32 GLU HB3 H 1.905 0.030 1 340 32 32 GLU CG C 36.959 0.300 1 341 32 32 GLU HG2 H 2.036 0.030 2 342 32 32 GLU HG3 H 1.748 0.030 2 343 32 32 GLU C C 178.044 0.300 1 344 33 33 LYS N N 115.379 0.300 1 345 33 33 LYS H H 8.300 0.030 1 346 33 33 LYS CA C 59.200 0.300 1 347 33 33 LYS HA H 3.977 0.030 1 348 33 33 LYS CB C 32.201 0.300 1 349 33 33 LYS HB2 H 1.710 0.030 2 350 33 33 LYS HB3 H 1.502 0.030 2 351 33 33 LYS CG C 25.166 0.300 1 352 33 33 LYS HG2 H 1.660 0.030 2 353 33 33 LYS HG3 H 1.566 0.030 2 354 33 33 LYS CD C 29.331 0.300 1 355 33 33 LYS HD2 H 1.879 0.030 2 356 33 33 LYS HD3 H 1.599 0.030 2 357 33 33 LYS CE C 42.077 0.300 1 358 33 33 LYS HE2 H 3.454 0.030 2 359 33 33 LYS HE3 H 3.080 0.030 2 360 33 33 LYS C C 180.525 0.300 1 361 34 34 CYS N N 115.529 0.300 1 362 34 34 CYS H H 7.340 0.030 1 363 34 34 CYS CA C 64.090 0.300 1 364 34 34 CYS HA H 3.652 0.030 1 365 34 34 CYS CB C 28.620 0.300 1 366 34 34 CYS HB2 H 2.693 0.030 2 367 34 34 CYS HB3 H 2.158 0.030 2 368 34 34 CYS C C 176.147 0.300 1 369 35 35 VAL N N 119.687 0.300 1 370 35 35 VAL H H 8.319 0.030 1 371 35 35 VAL CA C 67.869 0.300 1 372 35 35 VAL HA H 2.978 0.030 1 373 35 35 VAL CB C 30.313 0.300 1 374 35 35 VAL HB H 2.286 0.030 1 375 35 35 VAL CG1 C 20.064 0.300 2 376 35 35 VAL HG1 H 0.264 0.030 1 377 35 35 VAL CG2 C 24.007 0.300 2 378 35 35 VAL HG2 H 0.606 0.030 1 379 35 35 VAL C C 177.618 0.300 1 380 36 36 GLU N N 117.777 0.300 1 381 36 36 GLU H H 8.655 0.030 1 382 36 36 GLU CA C 59.871 0.300 1 383 36 36 GLU HA H 3.916 0.030 1 384 36 36 GLU CB C 29.174 0.300 1 385 36 36 GLU HB2 H 2.021 0.030 1 386 36 36 GLU HB3 H 2.021 0.030 1 387 36 36 GLU CG C 37.003 0.300 1 388 36 36 GLU HG2 H 2.232 0.030 2 389 36 36 GLU HG3 H 2.642 0.030 2 390 36 36 GLU C C 178.957 0.300 1 391 37 37 PHE N N 118.113 0.300 1 392 37 37 PHE H H 7.425 0.030 1 393 37 37 PHE CA C 61.613 0.300 1 394 37 37 PHE HA H 4.310 0.030 1 395 37 37 PHE CB C 39.966 0.300 1 396 37 37 PHE HB2 H 3.295 0.030 2 397 37 37 PHE HB3 H 3.113 0.030 2 398 37 37 PHE CD1 C 131.527 0.300 1 399 37 37 PHE HD1 H 7.083 0.030 1 400 37 37 PHE CD2 C 131.527 0.300 1 401 37 37 PHE HD2 H 7.083 0.030 1 402 37 37 PHE CE1 C 131.198 0.300 1 403 37 37 PHE HE1 H 6.994 0.030 1 404 37 37 PHE CE2 C 131.198 0.300 1 405 37 37 PHE HE2 H 6.994 0.030 1 406 37 37 PHE C C 178.379 0.300 1 407 38 38 ILE N N 121.691 0.300 1 408 38 38 ILE H H 8.512 0.030 1 409 38 38 ILE CA C 65.828 0.300 1 410 38 38 ILE HA H 3.305 0.030 1 411 38 38 ILE CB C 38.040 0.300 1 412 38 38 ILE HB H 1.956 0.030 1 413 38 38 ILE CG1 C 30.126 0.300 1 414 38 38 ILE HG12 H 2.126 0.030 2 415 38 38 ILE HG13 H 1.039 0.030 2 416 38 38 ILE CG2 C 18.702 0.300 1 417 38 38 ILE HG2 H 0.970 0.030 1 418 38 38 ILE CD1 C 13.302 0.300 1 419 38 38 ILE HD1 H 0.890 0.030 1 420 38 38 ILE C C 174.724 0.300 1 421 39 39 GLU N N 118.031 0.300 1 422 39 39 GLU H H 9.058 0.030 1 423 39 39 GLU CA C 60.358 0.300 1 424 39 39 GLU HA H 3.913 0.030 1 425 39 39 GLU CB C 28.339 0.300 1 426 39 39 GLU HB2 H 2.061 0.030 1 427 39 39 GLU HB3 H 2.061 0.030 1 428 39 39 GLU CG C 38.817 0.300 1 429 39 39 GLU HG2 H 2.978 0.030 2 430 39 39 GLU HG3 H 2.106 0.030 2 431 39 39 GLU C C 178.900 0.300 1 432 40 40 ASP N N 118.804 0.300 1 433 40 40 ASP H H 8.121 0.030 1 434 40 40 ASP CA C 56.959 0.300 1 435 40 40 ASP HA H 4.532 0.030 1 436 40 40 ASP CB C 41.523 0.300 1 437 40 40 ASP HB2 H 2.810 0.030 2 438 40 40 ASP HB3 H 2.561 0.030 2 439 40 40 ASP C C 178.318 0.300 1 440 41 41 THR N N 106.414 0.300 1 441 41 41 THR H H 7.468 0.030 1 442 41 41 THR CA C 62.699 0.300 1 443 41 41 THR HA H 4.480 0.030 1 444 41 41 THR CB C 71.386 0.300 1 445 41 41 THR HB H 3.763 0.030 1 446 41 41 THR CG2 C 20.862 0.300 1 447 41 41 THR HG2 H 0.872 0.030 1 448 41 41 THR C C 176.466 0.300 1 449 42 42 GLY H H 8.570 0.030 1 450 42 42 GLY CA C 44.027 0.300 1 451 42 42 GLY HA2 H 3.169 0.030 2 452 42 42 GLY HA3 H 3.437 0.030 2 453 43 43 LEU H H 8.580 0.030 1 454 43 43 LEU CA C 57.650 0.300 1 455 43 43 LEU HA H 3.958 0.030 1 456 43 43 LEU CB C 41.949 0.300 1 457 43 43 LEU HB2 H 2.053 0.030 2 458 43 43 LEU HB3 H 1.523 0.030 2 459 43 43 LEU CD1 C 25.203 0.300 2 460 43 43 LEU HD1 H 0.825 0.030 1 461 43 43 LEU CD2 C 25.768 0.300 2 462 43 43 LEU HD2 H 0.903 0.030 1 463 43 43 LEU C C 176.210 0.300 1 464 44 44 CYS N N 110.916 0.300 1 465 44 44 CYS H H 8.099 0.030 1 466 44 44 CYS CA C 58.653 0.300 1 467 44 44 CYS HA H 4.386 0.030 1 468 44 44 CYS CB C 27.331 0.300 1 469 44 44 CYS HB2 H 2.863 0.030 2 470 44 44 CYS HB3 H 3.084 0.030 2 471 44 44 CYS C C 173.585 0.300 1 472 45 45 THR N N 118.527 0.300 1 473 45 45 THR H H 7.465 0.030 1 474 45 45 THR CA C 64.100 0.300 1 475 45 45 THR HA H 3.806 0.030 1 476 45 45 THR CB C 69.650 0.300 1 477 45 45 THR HB H 4.068 0.030 1 478 45 45 THR CG2 C 20.565 0.300 1 479 45 45 THR HG2 H 1.129 0.030 1 480 45 45 THR C C 173.394 0.300 1 481 46 46 GLU N N 128.181 0.300 1 482 46 46 GLU H H 8.671 0.030 1 483 46 46 GLU CA C 58.101 0.300 1 484 46 46 GLU HA H 3.974 0.030 1 485 46 46 GLU CB C 29.607 0.300 1 486 46 46 GLU HB2 H 2.047 0.030 2 487 46 46 GLU HB3 H 1.875 0.030 2 488 46 46 GLU CG C 36.935 0.300 1 489 46 46 GLU HG2 H 2.179 0.030 2 490 46 46 GLU HG3 H 2.338 0.030 2 491 46 46 GLU C C 178.407 0.300 1 492 47 47 GLY N N 112.257 0.300 1 493 47 47 GLY H H 9.189 0.030 1 494 47 47 GLY CA C 46.668 0.300 1 495 47 47 GLY HA2 H 3.946 0.030 2 496 47 47 GLY HA3 H 4.030 0.030 2 497 47 47 GLY C C 174.171 0.300 1 498 48 48 LEU N N 122.763 0.300 1 499 48 48 LEU H H 6.902 0.030 1 500 48 48 LEU CA C 57.442 0.300 1 501 48 48 LEU HA H 3.678 0.030 1 502 48 48 LEU CB C 42.351 0.300 1 503 48 48 LEU HB2 H 1.560 0.030 2 504 48 48 LEU HB3 H 1.476 0.030 2 505 48 48 LEU CG C 25.871 0.300 1 506 48 48 LEU HG H 1.284 0.030 1 507 48 48 LEU CD1 C 22.826 0.300 2 508 48 48 LEU HD1 H 0.522 0.030 1 509 48 48 LEU CD2 C 26.542 0.300 2 510 48 48 LEU HD2 H 0.803 0.030 1 511 48 48 LEU C C 175.294 0.300 1 512 49 49 TYR N N 113.128 0.300 1 513 49 49 TYR H H 8.537 0.030 1 514 49 49 TYR CA C 65.126 0.300 1 515 49 49 TYR HA H 3.806 0.030 1 516 49 49 TYR CB C 35.931 0.300 1 517 49 49 TYR HB2 H 4.072 0.030 2 518 49 49 TYR HB3 H 2.915 0.030 2 519 49 49 TYR CD1 C 133.066 0.300 1 520 49 49 TYR HD1 H 6.929 0.030 1 521 49 49 TYR CD2 C 133.066 0.300 1 522 49 49 TYR HD2 H 6.929 0.030 1 523 49 49 TYR CE1 C 117.890 0.300 1 524 49 49 TYR HE1 H 7.005 0.030 1 525 49 49 TYR CE2 C 117.890 0.300 1 526 49 49 TYR HE2 H 7.005 0.030 1 527 49 49 TYR C C 175.697 0.300 1 528 50 50 ARG N N 122.448 0.300 1 529 50 50 ARG H H 8.816 0.030 1 530 50 50 ARG CA C 57.650 0.300 1 531 50 50 ARG HA H 4.484 0.030 1 532 50 50 ARG CB C 31.293 0.300 1 533 50 50 ARG HB2 H 1.936 0.030 2 534 50 50 ARG HB3 H 1.730 0.030 2 535 50 50 ARG CG C 26.879 0.300 1 536 50 50 ARG HG2 H 1.573 0.030 2 537 50 50 ARG HG3 H 1.628 0.030 2 538 50 50 ARG CD C 43.994 0.300 1 539 50 50 ARG HD2 H 3.113 0.030 2 540 50 50 ARG HD3 H 3.180 0.030 2 541 50 50 ARG C C 177.380 0.300 1 542 51 51 VAL N N 120.527 0.300 1 543 51 51 VAL H H 8.072 0.030 1 544 51 51 VAL CA C 62.639 0.300 1 545 51 51 VAL HA H 3.999 0.030 1 546 51 51 VAL CB C 32.510 0.300 1 547 51 51 VAL HB H 1.931 0.030 1 548 51 51 VAL CG1 C 21.364 0.300 2 549 51 51 VAL HG1 H 0.921 0.030 1 550 51 51 VAL CG2 C 21.357 0.300 2 551 51 51 VAL HG2 H 1.009 0.030 1 552 51 51 VAL C C 176.405 0.300 1 553 52 52 SER N N 122.651 0.300 1 554 52 52 SER H H 8.618 0.030 1 555 52 52 SER CA C 58.507 0.300 1 556 52 52 SER HA H 4.481 0.030 1 557 52 52 SER CB C 64.312 0.300 1 558 52 52 SER HB2 H 3.925 0.030 2 559 52 52 SER HB3 H 3.847 0.030 2 560 52 52 SER C C 175.065 0.300 1 561 53 53 GLY N N 110.305 0.300 1 562 53 53 GLY H H 8.280 0.030 1 563 53 53 GLY CA C 44.254 0.300 1 564 53 53 GLY HA2 H 3.511 0.030 2 565 53 53 GLY HA3 H 4.214 0.030 2 566 53 53 GLY C C 172.963 0.300 1 567 54 54 ASN N N 119.736 0.300 1 568 54 54 ASN H H 8.665 0.030 1 569 54 54 ASN CA C 53.421 0.300 1 570 54 54 ASN HA H 4.612 0.030 1 571 54 54 ASN CB C 38.945 0.300 1 572 54 54 ASN HB2 H 2.840 0.030 2 573 54 54 ASN HB3 H 2.875 0.030 2 574 54 54 ASN ND2 N 113.547 0.300 1 575 54 54 ASN HD21 H 7.641 0.030 2 576 54 54 ASN HD22 H 6.999 0.030 2 577 55 55 LYS CA C 59.260 0.300 1 578 55 55 LYS HA H 3.869 0.030 1 579 55 55 LYS CB C 32.492 0.300 1 580 55 55 LYS HB2 H 1.886 0.030 2 581 55 55 LYS HB3 H 1.851 0.030 2 582 55 55 LYS CG C 24.775 0.300 1 583 55 55 LYS HG2 H 1.446 0.030 1 584 55 55 LYS HG3 H 1.446 0.030 1 585 55 55 LYS CD C 28.532 0.300 1 586 55 55 LYS HD2 H 1.733 0.030 2 587 55 55 LYS HD3 H 1.573 0.030 2 588 55 55 LYS CE C 42.348 0.300 1 589 55 55 LYS HE2 H 3.004 0.030 1 590 55 55 LYS HE3 H 3.004 0.030 1 591 55 55 LYS C C 177.617 0.300 1 592 56 56 THR N N 113.785 0.300 1 593 56 56 THR H H 8.107 0.030 1 594 56 56 THR CA C 65.985 0.300 1 595 56 56 THR HA H 3.970 0.030 1 596 56 56 THR CB C 68.467 0.300 1 597 56 56 THR HB H 4.141 0.030 1 598 56 56 THR CG2 C 22.106 0.300 1 599 56 56 THR HG2 H 1.227 0.030 1 600 56 56 THR C C 176.547 0.300 1 601 57 57 ASP N N 120.941 0.300 1 602 57 57 ASP H H 7.616 0.030 1 603 57 57 ASP CA C 57.267 0.300 1 604 57 57 ASP HA H 4.427 0.030 1 605 57 57 ASP CB C 40.745 0.300 1 606 57 57 ASP HB2 H 2.766 0.030 2 607 57 57 ASP HB3 H 2.620 0.030 2 608 57 57 ASP C C 178.368 0.300 1 609 58 58 GLN N N 119.686 0.300 1 610 58 58 GLN H H 7.799 0.030 1 611 58 58 GLN CA C 59.464 0.300 1 612 58 58 GLN HA H 3.937 0.030 1 613 58 58 GLN CB C 29.334 0.300 1 614 58 58 GLN HB2 H 2.202 0.030 2 615 58 58 GLN HB3 H 2.097 0.030 2 616 58 58 GLN CG C 33.926 0.300 1 617 58 58 GLN HG2 H 2.422 0.030 2 618 58 58 GLN HG3 H 2.651 0.030 2 619 58 58 GLN NE2 N 111.262 0.300 1 620 58 58 GLN HE21 H 7.699 0.030 2 621 58 58 GLN HE22 H 6.784 0.030 2 622 58 58 GLN C C 177.859 0.300 1 623 59 59 ASP N N 119.885 0.300 1 624 59 59 ASP H H 8.560 0.030 1 625 59 59 ASP CA C 57.000 0.300 1 626 59 59 ASP HA H 4.257 0.030 1 627 59 59 ASP CB C 40.108 0.300 1 628 59 59 ASP HB2 H 2.771 0.030 2 629 59 59 ASP HB3 H 2.488 0.030 2 630 59 59 ASP C C 178.582 0.300 1 631 60 60 ASN N N 117.554 0.300 1 632 60 60 ASN H H 8.151 0.030 1 633 60 60 ASN CA C 55.921 0.300 1 634 60 60 ASN HA H 4.438 0.030 1 635 60 60 ASN CB C 38.035 0.300 1 636 60 60 ASN HB2 H 2.965 0.030 2 637 60 60 ASN HB3 H 2.784 0.030 2 638 60 60 ASN ND2 N 113.097 0.300 1 639 60 60 ASN HD21 H 7.854 0.030 2 640 60 60 ASN HD22 H 6.960 0.030 2 641 60 60 ASN C C 177.582 0.300 1 642 61 61 ILE N N 120.050 0.300 1 643 61 61 ILE H H 7.759 0.030 1 644 61 61 ILE CA C 65.728 0.300 1 645 61 61 ILE HA H 3.494 0.030 1 646 61 61 ILE CB C 37.711 0.300 1 647 61 61 ILE HB H 2.031 0.030 1 648 61 61 ILE CG1 C 29.110 0.300 1 649 61 61 ILE HG12 H 1.002 0.030 2 650 61 61 ILE HG13 H 1.834 0.030 2 651 61 61 ILE CG2 C 16.994 0.300 1 652 61 61 ILE HG2 H 0.879 0.030 1 653 61 61 ILE CD1 C 14.428 0.300 1 654 61 61 ILE HD1 H 0.729 0.030 1 655 61 61 ILE C C 177.397 0.300 1 656 62 62 GLN N N 116.047 0.300 1 657 62 62 GLN H H 7.205 0.030 1 658 62 62 GLN CA C 60.269 0.300 1 659 62 62 GLN HA H 3.664 0.030 1 660 62 62 GLN CB C 29.099 0.300 1 661 62 62 GLN HB2 H 1.269 0.030 2 662 62 62 GLN HB3 H 2.025 0.030 2 663 62 62 GLN CG C 35.100 0.300 1 664 62 62 GLN HG2 H 1.312 0.030 2 665 62 62 GLN HG3 H 2.133 0.030 2 666 62 62 GLN NE2 N 107.322 0.300 1 667 62 62 GLN HE21 H 6.710 0.030 2 668 62 62 GLN HE22 H 5.356 0.030 2 669 62 62 GLN C C 177.563 0.300 1 670 63 63 LYS N N 118.883 0.300 1 671 63 63 LYS H H 8.448 0.030 1 672 63 63 LYS CA C 59.812 0.300 1 673 63 63 LYS HA H 3.794 0.030 1 674 63 63 LYS CB C 32.530 0.300 1 675 63 63 LYS HB2 H 1.551 0.030 2 676 63 63 LYS HB3 H 1.624 0.030 2 677 63 63 LYS CG C 24.941 0.300 1 678 63 63 LYS HG2 H 0.620 0.030 2 679 63 63 LYS HG3 H 0.890 0.030 2 680 63 63 LYS CD C 29.026 0.300 1 681 63 63 LYS HD2 H 1.264 0.030 1 682 63 63 LYS HD3 H 1.264 0.030 1 683 63 63 LYS CE C 41.878 0.300 1 684 63 63 LYS HE2 H 2.410 0.030 1 685 63 63 LYS HE3 H 2.410 0.030 1 686 63 63 LYS C C 179.682 0.300 1 687 64 64 GLN N N 117.578 0.300 1 688 64 64 GLN H H 8.503 0.030 1 689 64 64 GLN CA C 58.899 0.300 1 690 64 64 GLN HA H 3.985 0.030 1 691 64 64 GLN CB C 27.864 0.300 1 692 64 64 GLN HB2 H 2.095 0.030 1 693 64 64 GLN HB3 H 2.095 0.030 1 694 64 64 GLN CG C 34.381 0.300 1 695 64 64 GLN HG2 H 2.461 0.030 1 696 64 64 GLN HG3 H 2.461 0.030 1 697 64 64 GLN NE2 N 111.679 0.300 1 698 64 64 GLN HE21 H 6.786 0.030 2 699 64 64 GLN HE22 H 7.330 0.030 2 700 64 64 GLN C C 178.811 0.300 1 701 65 65 PHE N N 120.055 0.300 1 702 65 65 PHE H H 8.193 0.030 1 703 65 65 PHE CA C 60.657 0.300 1 704 65 65 PHE HA H 4.305 0.030 1 705 65 65 PHE CB C 39.194 0.300 1 706 65 65 PHE HB2 H 3.191 0.030 2 707 65 65 PHE HB3 H 3.299 0.030 2 708 65 65 PHE CD1 C 128.941 0.300 1 709 65 65 PHE HD1 H 5.840 0.030 1 710 65 65 PHE CD2 C 128.941 0.300 1 711 65 65 PHE HD2 H 5.840 0.030 1 712 65 65 PHE CE1 C 131.318 0.300 1 713 65 65 PHE HE1 H 6.937 0.030 1 714 65 65 PHE CE2 C 131.318 0.300 1 715 65 65 PHE HE2 H 6.937 0.030 1 716 65 65 PHE CZ C 127.995 0.300 1 717 65 65 PHE HZ H 6.269 0.030 1 718 65 65 PHE C C 176.268 0.300 1 719 66 66 ASP N N 118.593 0.300 1 720 66 66 ASP H H 8.552 0.030 1 721 66 66 ASP CA C 57.105 0.300 1 722 66 66 ASP HA H 4.370 0.030 1 723 66 66 ASP CB C 42.415 0.300 1 724 66 66 ASP HB2 H 3.198 0.030 2 725 66 66 ASP HB3 H 3.042 0.030 2 726 66 66 ASP C C 178.174 0.300 1 727 67 67 GLN N N 114.348 0.300 1 728 67 67 GLN H H 7.384 0.030 1 729 67 67 GLN CA C 57.229 0.300 1 730 67 67 GLN HA H 4.066 0.030 1 731 67 67 GLN CB C 29.373 0.300 1 732 67 67 GLN HB2 H 2.064 0.030 2 733 67 67 GLN HB3 H 2.105 0.030 2 734 67 67 GLN CG C 34.177 0.300 1 735 67 67 GLN HG2 H 2.400 0.030 2 736 67 67 GLN HG3 H 2.490 0.030 2 737 67 67 GLN NE2 N 111.819 0.300 1 738 67 67 GLN HE21 H 6.802 0.030 2 739 67 67 GLN HE22 H 7.416 0.030 2 740 67 67 GLN C C 175.889 0.300 1 741 68 68 ASP N N 119.239 0.300 1 742 68 68 ASP H H 7.681 0.030 1 743 68 68 ASP CA C 53.643 0.300 1 744 68 68 ASP HA H 4.366 0.030 1 745 68 68 ASP CB C 41.288 0.300 1 746 68 68 ASP HB2 H 2.713 0.030 2 747 68 68 ASP HB3 H 2.504 0.030 2 748 68 68 ASP C C 174.469 0.300 1 749 69 69 HIS N N 121.786 0.300 1 750 69 69 HIS H H 8.673 0.030 1 751 69 69 HIS CA C 54.862 0.300 1 752 69 69 HIS HA H 3.518 0.030 1 753 69 69 HIS CB C 28.334 0.300 1 754 69 69 HIS HB2 H 2.924 0.030 2 755 69 69 HIS HB3 H 2.797 0.030 2 756 69 69 HIS CD2 C 119.610 0.300 1 757 69 69 HIS HD2 H 7.082 0.030 1 758 69 69 HIS CE1 C 135.922 0.300 1 759 69 69 HIS HE1 H 8.382 0.030 1 760 69 69 HIS C C 174.869 0.300 1 761 70 70 ASN N N 113.495 0.300 1 762 70 70 ASN H H 8.230 0.030 1 763 70 70 ASN CA C 52.501 0.300 1 764 70 70 ASN HA H 4.798 0.030 1 765 70 70 ASN CB C 38.321 0.300 1 766 70 70 ASN HB2 H 2.738 0.030 2 767 70 70 ASN HB3 H 2.933 0.030 2 768 70 70 ASN ND2 N 114.514 0.300 1 769 70 70 ASN HD21 H 7.794 0.030 2 770 70 70 ASN HD22 H 6.897 0.030 2 771 70 70 ASN C C 175.457 0.300 1 772 71 71 ILE N N 117.168 0.300 1 773 71 71 ILE H H 7.372 0.030 1 774 71 71 ILE CA C 62.023 0.300 1 775 71 71 ILE HA H 3.940 0.030 1 776 71 71 ILE CB C 39.532 0.300 1 777 71 71 ILE HB H 2.077 0.030 1 778 71 71 ILE CG1 C 26.669 0.300 1 779 71 71 ILE HG12 H 1.251 0.030 2 780 71 71 ILE HG13 H 1.540 0.030 2 781 71 71 ILE CG2 C 18.077 0.300 1 782 71 71 ILE HG2 H 1.144 0.030 1 783 71 71 ILE CD1 C 15.071 0.300 1 784 71 71 ILE HD1 H 0.947 0.030 1 785 71 71 ILE C C 173.391 0.300 1 786 72 72 ASN N N 122.925 0.300 1 787 72 72 ASN H H 8.551 0.030 1 788 72 72 ASN CA C 50.987 0.300 1 789 72 72 ASN HA H 4.943 0.030 1 790 72 72 ASN CB C 39.021 0.300 1 791 72 72 ASN HB2 H 2.995 0.030 2 792 72 72 ASN HB3 H 2.683 0.030 2 793 72 72 ASN ND2 N 112.583 0.300 1 794 72 72 ASN HD21 H 7.665 0.030 2 795 72 72 ASN HD22 H 6.987 0.030 2 796 72 72 ASN C C 175.964 0.300 1 797 73 73 LEU N N 125.716 0.300 1 798 73 73 LEU H H 9.106 0.030 1 799 73 73 LEU CA C 58.111 0.300 1 800 73 73 LEU HA H 3.845 0.030 1 801 73 73 LEU CB C 41.680 0.300 1 802 73 73 LEU HB2 H 1.399 0.030 2 803 73 73 LEU HB3 H 0.483 0.030 2 804 73 73 LEU CG C 27.514 0.300 1 805 73 73 LEU HG H 1.522 0.030 1 806 73 73 LEU CD1 C 26.032 0.300 2 807 73 73 LEU HD1 H 0.564 0.030 1 808 73 73 LEU CD2 C 23.431 0.300 2 809 73 73 LEU HD2 H 0.635 0.030 1 810 73 73 LEU C C 178.805 0.300 1 811 74 74 VAL N N 117.179 0.300 1 812 74 74 VAL H H 8.030 0.030 1 813 74 74 VAL CA C 65.961 0.300 1 814 74 74 VAL HA H 3.948 0.030 1 815 74 74 VAL CB C 31.650 0.300 1 816 74 74 VAL HB H 2.299 0.030 1 817 74 74 VAL CG1 C 20.995 0.300 2 818 74 74 VAL HG1 H 1.016 0.030 1 819 74 74 VAL CG2 C 22.641 0.300 2 820 74 74 VAL HG2 H 1.233 0.030 1 821 74 74 VAL C C 178.910 0.300 1 822 75 75 SER N N 115.693 0.300 1 823 75 75 SER H H 7.720 0.030 1 824 75 75 SER CA C 59.943 0.300 1 825 75 75 SER HA H 4.385 0.030 1 826 75 75 SER CB C 63.413 0.300 1 827 75 75 SER HB2 H 3.929 0.030 2 828 75 75 SER HB3 H 3.995 0.030 2 829 75 75 SER C C 175.347 0.300 1 830 76 76 MET N N 118.804 0.300 1 831 76 76 MET H H 7.478 0.030 1 832 76 76 MET CA C 56.857 0.300 1 833 76 76 MET HA H 4.187 0.030 1 834 76 76 MET CB C 35.217 0.300 1 835 76 76 MET HB2 H 1.945 0.030 2 836 76 76 MET HB3 H 2.210 0.030 2 837 76 76 MET CG C 32.141 0.300 1 838 76 76 MET HG2 H 2.518 0.030 2 839 76 76 MET HG3 H 2.594 0.030 2 840 76 76 MET CE C 16.204 0.300 1 841 76 76 MET HE H 1.903 0.030 1 842 76 76 MET C C 175.402 0.300 1 843 77 77 GLU N N 115.988 0.300 1 844 77 77 GLU H H 7.986 0.030 1 845 77 77 GLU CA C 57.163 0.300 1 846 77 77 GLU HA H 4.125 0.030 1 847 77 77 GLU CB C 26.993 0.300 1 848 77 77 GLU HB2 H 2.140 0.030 1 849 77 77 GLU HB3 H 2.140 0.030 1 850 77 77 GLU CG C 36.606 0.300 1 851 77 77 GLU HG2 H 2.193 0.030 1 852 77 77 GLU HG3 H 2.193 0.030 1 853 77 77 GLU C C 175.729 0.300 1 854 78 78 VAL N N 111.226 0.300 1 855 78 78 VAL H H 7.312 0.030 1 856 78 78 VAL CA C 59.280 0.300 1 857 78 78 VAL HA H 4.635 0.030 1 858 78 78 VAL CB C 34.035 0.300 1 859 78 78 VAL HB H 2.056 0.030 1 860 78 78 VAL CG1 C 22.201 0.300 2 861 78 78 VAL HG1 H 0.798 0.030 1 862 78 78 VAL CG2 C 18.844 0.300 2 863 78 78 VAL HG2 H 0.480 0.030 1 864 78 78 VAL C C 175.944 0.300 1 865 79 79 THR N N 110.637 0.300 1 866 79 79 THR H H 8.144 0.030 1 867 79 79 THR CA C 60.067 0.300 1 868 79 79 THR HA H 4.657 0.030 1 869 79 79 THR CB C 71.452 0.300 1 870 79 79 THR HB H 4.705 0.030 1 871 79 79 THR CG2 C 21.911 0.300 1 872 79 79 THR HG2 H 1.396 0.030 1 873 79 79 THR C C 175.856 0.300 1 874 80 80 VAL N N 120.291 0.300 1 875 80 80 VAL H H 8.856 0.030 1 876 80 80 VAL CA C 66.721 0.300 1 877 80 80 VAL HA H 3.755 0.030 1 878 80 80 VAL CB C 31.488 0.300 1 879 80 80 VAL HB H 2.087 0.030 1 880 80 80 VAL CG1 C 21.926 0.300 2 881 80 80 VAL HG1 H 0.929 0.030 1 882 80 80 VAL CG2 C 23.534 0.300 2 883 80 80 VAL HG2 H 1.015 0.030 1 884 80 80 VAL C C 177.251 0.300 1 885 81 81 ASN N N 115.334 0.300 1 886 81 81 ASN H H 8.191 0.030 1 887 81 81 ASN CA C 55.951 0.300 1 888 81 81 ASN HA H 4.498 0.030 1 889 81 81 ASN CB C 37.245 0.300 1 890 81 81 ASN HB2 H 2.489 0.030 2 891 81 81 ASN HB3 H 2.602 0.030 2 892 81 81 ASN ND2 N 111.387 0.300 1 893 81 81 ASN HD21 H 7.418 0.030 2 894 81 81 ASN HD22 H 6.749 0.030 2 895 81 81 ASN C C 178.241 0.300 1 896 82 82 ALA N N 123.521 0.300 1 897 82 82 ALA H H 7.908 0.030 1 898 82 82 ALA CA C 55.109 0.300 1 899 82 82 ALA HA H 4.287 0.030 1 900 82 82 ALA CB C 18.717 0.300 1 901 82 82 ALA HB H 1.465 0.030 1 902 82 82 ALA C C 179.000 0.300 1 903 83 83 VAL N N 119.607 0.300 1 904 83 83 VAL H H 7.614 0.030 1 905 83 83 VAL CA C 67.268 0.300 1 906 83 83 VAL HA H 3.445 0.030 1 907 83 83 VAL CB C 31.555 0.300 1 908 83 83 VAL HB H 2.096 0.030 1 909 83 83 VAL CG1 C 22.361 0.300 2 910 83 83 VAL HG1 H 0.998 0.030 1 911 83 83 VAL CG2 C 24.506 0.300 2 912 83 83 VAL HG2 H 0.672 0.030 1 913 83 83 VAL C C 177.067 0.300 1 914 84 84 ALA N N 122.325 0.300 1 915 84 84 ALA H H 8.820 0.030 1 916 84 84 ALA CA C 55.372 0.300 1 917 84 84 ALA HA H 4.116 0.030 1 918 84 84 ALA CB C 18.387 0.300 1 919 84 84 ALA HB H 1.222 0.030 1 920 84 84 ALA C C 180.159 0.300 1 921 85 85 GLY N N 103.387 0.300 1 922 85 85 GLY H H 8.029 0.030 1 923 85 85 GLY CA C 47.025 0.300 1 924 85 85 GLY HA2 H 3.979 0.030 2 925 85 85 GLY HA3 H 3.853 0.030 2 926 85 85 GLY C C 176.998 0.300 1 927 86 86 ALA N N 126.726 0.300 1 928 86 86 ALA H H 8.501 0.030 1 929 86 86 ALA CA C 55.002 0.300 1 930 86 86 ALA HA H 4.206 0.030 1 931 86 86 ALA CB C 18.670 0.300 1 932 86 86 ALA HB H 1.758 0.030 1 933 86 86 ALA C C 179.185 0.300 1 934 87 87 LEU N N 120.771 0.300 1 935 87 87 LEU H H 8.712 0.030 1 936 87 87 LEU CA C 58.505 0.300 1 937 87 87 LEU HA H 4.390 0.030 1 938 87 87 LEU CB C 41.096 0.300 1 939 87 87 LEU HB2 H 1.686 0.030 2 940 87 87 LEU HB3 H 2.596 0.030 2 941 87 87 LEU CG C 27.867 0.300 1 942 87 87 LEU HG H 2.023 0.030 1 943 87 87 LEU CD1 C 25.330 0.300 2 944 87 87 LEU HD1 H 1.166 0.030 1 945 87 87 LEU CD2 C 26.692 0.300 2 946 87 87 LEU HD2 H 1.289 0.030 1 947 87 87 LEU C C 178.894 0.300 1 948 88 88 LYS N N 117.431 0.300 1 949 88 88 LYS H H 8.050 0.030 1 950 88 88 LYS CA C 61.782 0.300 1 951 88 88 LYS HA H 4.111 0.030 1 952 88 88 LYS CB C 32.197 0.300 1 953 88 88 LYS HB2 H 1.971 0.030 1 954 88 88 LYS HB3 H 1.971 0.030 1 955 88 88 LYS CG C 25.895 0.300 1 956 88 88 LYS HG2 H 1.133 0.030 2 957 88 88 LYS HG3 H 1.734 0.030 2 958 88 88 LYS CD C 29.520 0.300 1 959 88 88 LYS HD2 H 1.494 0.030 2 960 88 88 LYS HD3 H 1.450 0.030 2 961 88 88 LYS CE C 41.302 0.300 1 962 88 88 LYS HE2 H 2.648 0.030 2 963 88 88 LYS HE3 H 2.737 0.030 2 964 88 88 LYS C C 178.678 0.300 1 965 89 89 ALA N N 120.535 0.300 1 966 89 89 ALA H H 8.247 0.030 1 967 89 89 ALA CA C 54.915 0.300 1 968 89 89 ALA HA H 4.134 0.030 1 969 89 89 ALA CB C 18.080 0.300 1 970 89 89 ALA HB H 1.472 0.030 1 971 89 89 ALA C C 179.022 0.300 1 972 90 90 PHE N N 117.595 0.300 1 973 90 90 PHE H H 8.020 0.030 1 974 90 90 PHE CA C 61.650 0.300 1 975 90 90 PHE HA H 4.218 0.030 1 976 90 90 PHE CB C 38.585 0.300 1 977 90 90 PHE HB2 H 3.325 0.030 2 978 90 90 PHE HB3 H 3.657 0.030 2 979 90 90 PHE CD1 C 131.706 0.300 1 980 90 90 PHE HD1 H 6.398 0.030 1 981 90 90 PHE CD2 C 131.706 0.300 1 982 90 90 PHE HD2 H 6.398 0.030 1 983 90 90 PHE CE1 C 130.851 0.300 1 984 90 90 PHE HE1 H 6.735 0.030 1 985 90 90 PHE CE2 C 130.851 0.300 1 986 90 90 PHE HE2 H 6.735 0.030 1 987 90 90 PHE CZ C 128.488 0.300 1 988 90 90 PHE HZ H 6.800 0.030 1 989 90 90 PHE C C 177.293 0.300 1 990 91 91 PHE N N 114.679 0.300 1 991 91 91 PHE H H 7.349 0.030 1 992 91 91 PHE CA C 62.205 0.300 1 993 91 91 PHE HA H 4.068 0.030 1 994 91 91 PHE CB C 39.355 0.300 1 995 91 91 PHE HB2 H 3.085 0.030 2 996 91 91 PHE HB3 H 3.367 0.030 2 997 91 91 PHE CD1 C 132.383 0.300 1 998 91 91 PHE HD1 H 7.713 0.030 1 999 91 91 PHE CD2 C 132.383 0.300 1 1000 91 91 PHE HD2 H 7.713 0.030 1 1001 91 91 PHE CE1 C 130.533 0.300 1 1002 91 91 PHE HE1 H 7.361 0.030 1 1003 91 91 PHE CE2 C 130.533 0.300 1 1004 91 91 PHE HE2 H 7.361 0.030 1 1005 91 91 PHE CZ C 129.451 0.300 1 1006 91 91 PHE HZ H 7.134 0.030 1 1007 91 91 PHE C C 178.418 0.300 1 1008 92 92 ALA N N 124.291 0.300 1 1009 92 92 ALA H H 8.382 0.030 1 1010 92 92 ALA CA C 54.089 0.300 1 1011 92 92 ALA HA H 4.590 0.030 1 1012 92 92 ALA CB C 18.393 0.300 1 1013 92 92 ALA HB H 1.535 0.030 1 1014 92 92 ALA C C 178.183 0.300 1 1015 93 93 ASP N N 115.487 0.300 1 1016 93 93 ASP H H 7.658 0.030 1 1017 93 93 ASP CA C 54.154 0.300 1 1018 93 93 ASP HA H 4.611 0.030 1 1019 93 93 ASP CB C 41.098 0.300 1 1020 93 93 ASP HB2 H 2.612 0.030 1 1021 93 93 ASP HB3 H 2.612 0.030 1 1022 93 93 ASP C C 176.814 0.300 1 1023 94 94 LEU N N 120.573 0.300 1 1024 94 94 LEU H H 6.746 0.030 1 1025 94 94 LEU CA C 53.790 0.300 1 1026 94 94 LEU HA H 4.017 0.030 1 1027 94 94 LEU CB C 41.840 0.300 1 1028 94 94 LEU HB2 H 1.675 0.030 2 1029 94 94 LEU HB3 H 1.532 0.030 2 1030 94 94 LEU CG C 25.964 0.300 1 1031 94 94 LEU HG H 1.731 0.030 1 1032 94 94 LEU CD1 C 26.288 0.300 2 1033 94 94 LEU HD1 H 1.089 0.030 1 1034 94 94 LEU CD2 C 22.588 0.300 2 1035 94 94 LEU HD2 H 0.593 0.030 1 1036 94 94 LEU C C 177.200 0.300 1 1037 95 95 PRO CA C 64.841 0.300 1 1038 95 95 PRO HA H 4.252 0.030 1 1039 95 95 PRO CB C 31.472 0.300 1 1040 95 95 PRO HB2 H 2.282 0.030 2 1041 95 95 PRO HB3 H 1.982 0.030 2 1042 95 95 PRO CG C 27.403 0.300 1 1043 95 95 PRO HG2 H 1.917 0.030 2 1044 95 95 PRO HG3 H 1.793 0.030 2 1045 95 95 PRO CD C 50.068 0.300 1 1046 95 95 PRO HD2 H 3.172 0.030 2 1047 95 95 PRO HD3 H 3.653 0.030 2 1048 95 95 PRO C C 175.375 0.300 1 1049 96 96 ASP N N 114.456 0.300 1 1050 96 96 ASP H H 6.946 0.030 1 1051 96 96 ASP CA C 50.739 0.300 1 1052 96 96 ASP HA H 5.028 0.030 1 1053 96 96 ASP CB C 43.337 0.300 1 1054 96 96 ASP HB2 H 2.722 0.030 2 1055 96 96 ASP HB3 H 2.253 0.030 2 1056 96 96 ASP C C 172.361 0.300 1 1057 97 97 PRO CA C 61.802 0.300 1 1058 97 97 PRO HA H 4.415 0.030 1 1059 97 97 PRO CB C 31.726 0.300 1 1060 97 97 PRO HB2 H 1.590 0.030 2 1061 97 97 PRO HB3 H 2.083 0.030 2 1062 97 97 PRO CG C 26.151 0.300 1 1063 97 97 PRO HG2 H 1.502 0.030 2 1064 97 97 PRO HG3 H 0.876 0.030 2 1065 97 97 PRO CD C 50.234 0.300 1 1066 97 97 PRO HD2 H 3.480 0.030 2 1067 97 97 PRO HD3 H 3.151 0.030 2 1068 97 97 PRO C C 176.343 0.300 1 1069 98 98 LEU N N 119.591 0.300 1 1070 98 98 LEU H H 8.517 0.030 1 1071 98 98 LEU CA C 57.293 0.300 1 1072 98 98 LEU HA H 3.919 0.030 1 1073 98 98 LEU CB C 42.883 0.300 1 1074 98 98 LEU HB2 H 1.609 0.030 2 1075 98 98 LEU HB3 H 1.778 0.030 2 1076 98 98 LEU CG C 27.335 0.300 1 1077 98 98 LEU HG H 1.743 0.030 1 1078 98 98 LEU CD1 C 24.620 0.300 2 1079 98 98 LEU HD1 H 1.256 0.030 1 1080 98 98 LEU CD2 C 27.072 0.300 2 1081 98 98 LEU HD2 H 0.937 0.030 1 1082 98 98 LEU C C 176.701 0.300 1 1083 99 99 ILE N N 113.507 0.300 1 1084 99 99 ILE H H 7.432 0.030 1 1085 99 99 ILE CA C 58.090 0.300 1 1086 99 99 ILE HA H 3.829 0.030 1 1087 99 99 ILE CB C 36.468 0.300 1 1088 99 99 ILE HB H 1.786 0.030 1 1089 99 99 ILE CG1 C 26.810 0.300 1 1090 99 99 ILE HG12 H 0.195 0.030 2 1091 99 99 ILE HG13 H 1.275 0.030 2 1092 99 99 ILE CG2 C 17.132 0.300 1 1093 99 99 ILE HG2 H 0.569 0.030 1 1094 99 99 ILE CD1 C 13.013 0.300 1 1095 99 99 ILE HD1 H 0.657 0.030 1 1096 99 99 ILE C C 173.527 0.300 1 1097 100 100 PRO CA C 63.079 0.300 1 1098 100 100 PRO HA H 3.944 0.030 1 1099 100 100 PRO CB C 32.661 0.300 1 1100 100 100 PRO HB2 H 1.728 0.030 2 1101 100 100 PRO HB3 H 2.121 0.030 2 1102 100 100 PRO CG C 27.322 0.300 1 1103 100 100 PRO HG2 H 1.722 0.030 2 1104 100 100 PRO HG3 H 1.646 0.030 2 1105 100 100 PRO CD C 50.124 0.300 1 1106 100 100 PRO HD2 H 2.277 0.030 2 1107 100 100 PRO HD3 H 3.297 0.030 2 1108 101 101 TYR N N 120.124 0.300 1 1109 101 101 TYR H H 7.822 0.030 1 1110 101 101 TYR CA C 60.668 0.300 1 1111 101 101 TYR HA H 2.572 0.030 1 1112 101 101 TYR CB C 38.495 0.300 1 1113 101 101 TYR HB2 H 2.866 0.030 2 1114 101 101 TYR HB3 H 2.599 0.030 2 1115 101 101 TYR CD1 C 132.767 0.300 1 1116 101 101 TYR HD1 H 7.051 0.030 1 1117 101 101 TYR CD2 C 132.767 0.300 1 1118 101 101 TYR HD2 H 7.051 0.030 1 1119 101 101 TYR CE1 C 118.585 0.300 1 1120 101 101 TYR HE1 H 7.066 0.030 1 1121 101 101 TYR CE2 C 118.585 0.300 1 1122 101 101 TYR HE2 H 7.066 0.030 1 1123 101 101 TYR C C 179.844 0.300 1 1124 102 102 SER N N 113.433 0.300 1 1125 102 102 SER H H 8.785 0.030 1 1126 102 102 SER CA C 60.691 0.300 1 1127 102 102 SER HA H 4.086 0.030 1 1128 102 102 SER CB C 62.011 0.300 1 1129 102 102 SER HB2 H 3.920 0.030 1 1130 102 102 SER HB3 H 3.920 0.030 1 1131 102 102 SER C C 175.890 0.300 1 1132 103 103 LEU N N 118.495 0.300 1 1133 103 103 LEU H H 7.510 0.030 1 1134 103 103 LEU CA C 54.298 0.300 1 1135 103 103 LEU HA H 4.759 0.030 1 1136 103 103 LEU CB C 42.569 0.300 1 1137 103 103 LEU HB2 H 1.599 0.030 2 1138 103 103 LEU HB3 H 1.534 0.030 2 1139 103 103 LEU CG C 27.204 0.300 1 1140 103 103 LEU HG H 1.644 0.030 1 1141 103 103 LEU CD1 C 27.319 0.300 2 1142 103 103 LEU HD1 H 0.853 0.030 1 1143 103 103 LEU CD2 C 22.948 0.300 2 1144 103 103 LEU HD2 H 0.874 0.030 1 1145 103 103 LEU C C 177.299 0.300 1 1146 104 104 HIS N N 120.581 0.300 1 1147 104 104 HIS H H 8.130 0.030 1 1148 104 104 HIS CA C 60.709 0.300 1 1149 104 104 HIS HA H 4.412 0.030 1 1150 104 104 HIS CB C 28.849 0.300 1 1151 104 104 HIS HB2 H 3.550 0.030 2 1152 104 104 HIS HB3 H 3.106 0.030 2 1153 104 104 HIS CD2 C 116.730 0.300 1 1154 104 104 HIS HD2 H 6.529 0.030 1 1155 104 104 HIS CE1 C 140.808 0.300 1 1156 104 104 HIS HE1 H 8.577 0.030 1 1157 104 104 HIS C C 174.154 0.300 1 1158 105 105 PRO CA C 66.645 0.300 1 1159 105 105 PRO HA H 4.267 0.030 1 1160 105 105 PRO CB C 30.855 0.300 1 1161 105 105 PRO HB2 H 2.013 0.030 2 1162 105 105 PRO HB3 H 2.383 0.030 2 1163 105 105 PRO CG C 28.583 0.300 1 1164 105 105 PRO HG2 H 2.181 0.030 2 1165 105 105 PRO HG3 H 2.030 0.030 2 1166 105 105 PRO CD C 50.589 0.300 1 1167 105 105 PRO HD2 H 3.681 0.030 2 1168 105 105 PRO HD3 H 3.946 0.030 2 1169 105 105 PRO C C 179.855 0.300 1 1170 106 106 GLU N N 115.346 0.300 1 1171 106 106 GLU H H 7.436 0.030 1 1172 106 106 GLU CA C 59.473 0.300 1 1173 106 106 GLU HA H 4.122 0.030 1 1174 106 106 GLU CB C 30.058 0.300 1 1175 106 106 GLU HB2 H 2.119 0.030 1 1176 106 106 GLU HB3 H 2.119 0.030 1 1177 106 106 GLU CG C 37.474 0.300 1 1178 106 106 GLU HG2 H 2.341 0.030 1 1179 106 106 GLU HG3 H 2.341 0.030 1 1180 106 106 GLU C C 179.666 0.300 1 1181 107 107 LEU N N 121.450 0.300 1 1182 107 107 LEU H H 8.286 0.030 1 1183 107 107 LEU CA C 58.442 0.300 1 1184 107 107 LEU HA H 3.927 0.030 1 1185 107 107 LEU CB C 42.470 0.300 1 1186 107 107 LEU HB2 H 1.291 0.030 2 1187 107 107 LEU HB3 H 2.136 0.030 2 1188 107 107 LEU CG C 26.816 0.300 1 1189 107 107 LEU HG H 1.972 0.030 1 1190 107 107 LEU CD1 C 26.628 0.300 2 1191 107 107 LEU HD1 H 0.798 0.030 1 1192 107 107 LEU CD2 C 24.603 0.300 2 1193 107 107 LEU HD2 H 0.989 0.030 1 1194 107 107 LEU C C 177.386 0.300 1 1195 108 108 LEU N N 116.978 0.300 1 1196 108 108 LEU H H 8.182 0.030 1 1197 108 108 LEU CA C 57.633 0.300 1 1198 108 108 LEU HA H 3.643 0.030 1 1199 108 108 LEU CB C 41.004 0.300 1 1200 108 108 LEU HB2 H 1.755 0.030 2 1201 108 108 LEU HB3 H 1.293 0.030 2 1202 108 108 LEU CG C 26.806 0.300 1 1203 108 108 LEU HG H 1.598 0.030 1 1204 108 108 LEU CD1 C 25.089 0.300 2 1205 108 108 LEU HD1 H 0.620 0.030 1 1206 108 108 LEU CD2 C 21.586 0.300 2 1207 108 108 LEU HD2 H 0.087 0.030 1 1208 108 108 LEU C C 178.499 0.300 1 1209 109 109 GLU N N 115.914 0.300 1 1210 109 109 GLU H H 7.577 0.030 1 1211 109 109 GLU CA C 58.827 0.300 1 1212 109 109 GLU HA H 3.958 0.030 1 1213 109 109 GLU CB C 29.693 0.300 1 1214 109 109 GLU HB2 H 2.022 0.030 1 1215 109 109 GLU HB3 H 2.022 0.030 1 1216 109 109 GLU CG C 35.958 0.300 1 1217 109 109 GLU HG2 H 2.332 0.030 2 1218 109 109 GLU HG3 H 2.270 0.030 2 1219 109 109 GLU C C 180.126 0.300 1 1220 110 110 ALA N N 122.734 0.300 1 1221 110 110 ALA H H 8.113 0.030 1 1222 110 110 ALA CA C 54.204 0.300 1 1223 110 110 ALA HA H 4.128 0.030 1 1224 110 110 ALA CB C 18.065 0.300 1 1225 110 110 ALA HB H 1.422 0.030 1 1226 110 110 ALA C C 179.015 0.300 1 1227 111 111 ALA N N 116.013 0.300 1 1228 111 111 ALA H H 7.826 0.030 1 1229 111 111 ALA CA C 53.867 0.300 1 1230 111 111 ALA HA H 3.759 0.030 1 1231 111 111 ALA CB C 18.816 0.300 1 1232 111 111 ALA HB H 1.331 0.030 1 1233 111 111 ALA C C 177.866 0.300 1 1234 112 112 LYS N N 114.584 0.300 1 1235 112 112 LYS H H 7.129 0.030 1 1236 112 112 LYS CA C 56.381 0.300 1 1237 112 112 LYS HA H 4.059 0.030 1 1238 112 112 LYS CB C 33.099 0.300 1 1239 112 112 LYS HB2 H 1.777 0.030 2 1240 112 112 LYS HB3 H 1.941 0.030 2 1241 112 112 LYS CG C 24.989 0.300 1 1242 112 112 LYS HG2 H 1.341 0.030 2 1243 112 112 LYS HG3 H 1.724 0.030 2 1244 112 112 LYS CD C 29.767 0.300 1 1245 112 112 LYS HD2 H 1.597 0.030 2 1246 112 112 LYS HD3 H 1.673 0.030 2 1247 112 112 LYS CE C 42.018 0.300 1 1248 112 112 LYS HE2 H 2.864 0.030 2 1249 112 112 LYS HE3 H 2.804 0.030 2 1250 112 112 LYS C C 177.103 0.300 1 1251 113 113 ILE N N 125.455 0.300 1 1252 113 113 ILE H H 7.601 0.030 1 1253 113 113 ILE CA C 61.037 0.300 1 1254 113 113 ILE HA H 4.038 0.030 1 1255 113 113 ILE CB C 39.216 0.300 1 1256 113 113 ILE HB H 1.727 0.030 1 1257 113 113 ILE CG1 C 29.107 0.300 1 1258 113 113 ILE HG12 H 1.064 0.030 2 1259 113 113 ILE HG13 H 1.913 0.030 2 1260 113 113 ILE CG2 C 16.556 0.300 1 1261 113 113 ILE HG2 H 1.011 0.030 1 1262 113 113 ILE CD1 C 14.561 0.300 1 1263 113 113 ILE HD1 H 0.984 0.030 1 1264 113 113 ILE C C 176.711 0.300 1 1265 114 114 PRO CA C 65.206 0.300 1 1266 114 114 PRO HA H 4.218 0.030 1 1267 114 114 PRO CB C 32.252 0.300 1 1268 114 114 PRO HB2 H 2.268 0.030 2 1269 114 114 PRO HB3 H 1.990 0.030 2 1270 114 114 PRO CG C 27.334 0.300 1 1271 114 114 PRO HG2 H 1.982 0.030 2 1272 114 114 PRO HG3 H 2.077 0.030 2 1273 114 114 PRO CD C 51.718 0.300 1 1274 114 114 PRO HD2 H 3.856 0.030 2 1275 114 114 PRO HD3 H 4.077 0.030 2 1276 114 114 PRO C C 177.551 0.300 1 1277 115 115 ASP N N 119.285 0.300 1 1278 115 115 ASP H H 7.281 0.030 1 1279 115 115 ASP CA C 54.544 0.300 1 1280 115 115 ASP HA H 4.546 0.030 1 1281 115 115 ASP CB C 43.370 0.300 1 1282 115 115 ASP HB2 H 2.596 0.030 1 1283 115 115 ASP HB3 H 2.596 0.030 1 1284 115 115 ASP C C 175.421 0.300 1 1285 116 116 LYS N N 127.849 0.300 1 1286 116 116 LYS H H 8.724 0.030 1 1287 116 116 LYS CA C 60.452 0.300 1 1288 116 116 LYS HA H 3.656 0.030 1 1289 116 116 LYS CB C 33.018 0.300 1 1290 116 116 LYS HB2 H 1.888 0.030 2 1291 116 116 LYS HB3 H 1.758 0.030 2 1292 116 116 LYS CG C 24.907 0.300 1 1293 116 116 LYS HG2 H 1.061 0.030 2 1294 116 116 LYS HG3 H 1.268 0.030 2 1295 116 116 LYS CD C 30.097 0.300 1 1296 116 116 LYS HD2 H 1.581 0.030 2 1297 116 116 LYS HD3 H 1.632 0.030 2 1298 116 116 LYS CE C 42.021 0.300 1 1299 116 116 LYS HE2 H 2.669 0.030 2 1300 116 116 LYS HE3 H 2.808 0.030 2 1301 116 116 LYS C C 176.875 0.300 1 1302 117 117 THR N N 115.305 0.300 1 1303 117 117 THR H H 7.908 0.030 1 1304 117 117 THR CA C 67.748 0.300 1 1305 117 117 THR HA H 3.532 0.030 1 1306 117 117 THR CB C 67.696 0.300 1 1307 117 117 THR HB H 4.228 0.030 1 1308 117 117 THR CG2 C 22.023 0.300 1 1309 117 117 THR HG2 H 1.087 0.030 1 1310 117 117 THR C C 176.483 0.300 1 1311 118 118 GLU N N 123.062 0.300 1 1312 118 118 GLU H H 8.628 0.030 1 1313 118 118 GLU CA C 59.568 0.300 1 1314 118 118 GLU HA H 3.975 0.030 1 1315 118 118 GLU CB C 29.979 0.300 1 1316 118 118 GLU HB2 H 2.032 0.030 1 1317 118 118 GLU HB3 H 2.032 0.030 1 1318 118 118 GLU CG C 36.363 0.300 1 1319 118 118 GLU HG2 H 2.457 0.030 2 1320 118 118 GLU HG3 H 2.210 0.030 2 1321 118 118 GLU C C 179.459 0.300 1 1322 119 119 ARG N N 122.322 0.300 1 1323 119 119 ARG H H 8.766 0.030 1 1324 119 119 ARG CA C 59.546 0.300 1 1325 119 119 ARG HA H 3.957 0.030 1 1326 119 119 ARG CB C 30.904 0.300 1 1327 119 119 ARG HB2 H 1.931 0.030 1 1328 119 119 ARG HB3 H 1.931 0.030 1 1329 119 119 ARG CG C 26.307 0.300 1 1330 119 119 ARG HG2 H 2.180 0.030 2 1331 119 119 ARG HG3 H 1.151 0.030 2 1332 119 119 ARG CD C 44.009 0.300 1 1333 119 119 ARG HD2 H 3.425 0.030 2 1334 119 119 ARG HD3 H 3.168 0.030 2 1335 119 119 ARG NE N 84.678 0.300 1 1336 119 119 ARG HE H 7.108 0.030 1 1337 119 119 ARG C C 177.712 0.300 1 1338 120 120 LEU N N 118.051 0.300 1 1339 120 120 LEU H H 8.221 0.030 1 1340 120 120 LEU CA C 58.481 0.300 1 1341 120 120 LEU HA H 3.979 0.030 1 1342 120 120 LEU CB C 39.470 0.300 1 1343 120 120 LEU HB2 H 1.415 0.030 2 1344 120 120 LEU HB3 H 0.906 0.030 2 1345 120 120 LEU CG C 27.003 0.300 1 1346 120 120 LEU HG H 1.846 0.030 1 1347 120 120 LEU CD1 C 26.006 0.300 2 1348 120 120 LEU HD1 H 0.379 0.030 1 1349 120 120 LEU CD2 C 24.482 0.300 2 1350 120 120 LEU HD2 H 0.564 0.030 1 1351 120 120 LEU C C 179.716 0.300 1 1352 121 121 HIS N N 117.798 0.300 1 1353 121 121 HIS H H 8.226 0.030 1 1354 121 121 HIS CA C 61.741 0.300 1 1355 121 121 HIS HA H 4.312 0.030 1 1356 121 121 HIS CB C 29.621 0.300 1 1357 121 121 HIS HB2 H 3.164 0.030 2 1358 121 121 HIS HB3 H 3.266 0.030 2 1359 121 121 HIS CD2 C 121.413 0.300 1 1360 121 121 HIS HD2 H 7.139 0.030 1 1361 121 121 HIS CE1 C 138.182 0.300 1 1362 121 121 HIS HE1 H 7.842 0.030 1 1363 121 121 HIS C C 178.108 0.300 1 1364 122 122 ALA N N 123.169 0.300 1 1365 122 122 ALA H H 8.385 0.030 1 1366 122 122 ALA CA C 55.448 0.300 1 1367 122 122 ALA HA H 4.270 0.030 1 1368 122 122 ALA CB C 18.689 0.300 1 1369 122 122 ALA HB H 1.601 0.030 1 1370 122 122 ALA C C 181.501 0.300 1 1371 123 123 LEU N N 118.324 0.300 1 1372 123 123 LEU H H 8.567 0.030 1 1373 123 123 LEU CA C 58.127 0.300 1 1374 123 123 LEU HA H 4.078 0.030 1 1375 123 123 LEU CB C 42.848 0.300 1 1376 123 123 LEU HB2 H 2.254 0.030 2 1377 123 123 LEU HB3 H 1.176 0.030 2 1378 123 123 LEU CG C 27.201 0.300 1 1379 123 123 LEU HG H 1.885 0.030 1 1380 123 123 LEU CD1 C 26.573 0.300 2 1381 123 123 LEU HD1 H 0.737 0.030 1 1382 123 123 LEU CD2 C 24.745 0.300 2 1383 123 123 LEU HD2 H 0.902 0.030 1 1384 123 123 LEU C C 178.352 0.300 1 1385 124 124 LYS N N 122.063 0.300 1 1386 124 124 LYS H H 8.584 0.030 1 1387 124 124 LYS CA C 59.851 0.300 1 1388 124 124 LYS HA H 4.119 0.030 1 1389 124 124 LYS CB C 32.474 0.300 1 1390 124 124 LYS HB2 H 2.310 0.030 2 1391 124 124 LYS HB3 H 1.932 0.030 2 1392 124 124 LYS CG C 26.070 0.300 1 1393 124 124 LYS HG2 H 1.279 0.030 2 1394 124 124 LYS HG3 H 1.451 0.030 2 1395 124 124 LYS CD C 30.556 0.300 1 1396 124 124 LYS HD2 H 0.568 0.030 2 1397 124 124 LYS HD3 H 1.235 0.030 2 1398 124 124 LYS CE C 42.038 0.300 1 1399 124 124 LYS HE2 H 2.664 0.030 1 1400 124 124 LYS HE3 H 2.664 0.030 1 1401 124 124 LYS C C 177.467 0.300 1 1402 125 125 GLU N N 116.555 0.300 1 1403 125 125 GLU H H 7.791 0.030 1 1404 125 125 GLU CA C 58.766 0.300 1 1405 125 125 GLU HA H 4.043 0.030 1 1406 125 125 GLU CB C 29.413 0.300 1 1407 125 125 GLU HB2 H 2.201 0.030 2 1408 125 125 GLU HB3 H 2.099 0.030 2 1409 125 125 GLU CG C 36.194 0.300 1 1410 125 125 GLU HG2 H 2.425 0.030 1 1411 125 125 GLU HG3 H 2.425 0.030 1 1412 125 125 GLU C C 179.070 0.300 1 1413 126 126 ILE N N 117.951 0.300 1 1414 126 126 ILE H H 7.527 0.030 1 1415 126 126 ILE CA C 65.218 0.300 1 1416 126 126 ILE HA H 3.721 0.030 1 1417 126 126 ILE CB C 38.144 0.300 1 1418 126 126 ILE HB H 1.941 0.030 1 1419 126 126 ILE CG1 C 28.794 0.300 1 1420 126 126 ILE HG12 H 1.259 0.030 2 1421 126 126 ILE HG13 H 1.919 0.030 2 1422 126 126 ILE CG2 C 19.792 0.300 1 1423 126 126 ILE HG2 H 1.044 0.030 1 1424 126 126 ILE CD1 C 15.808 0.300 1 1425 126 126 ILE HD1 H 0.845 0.030 1 1426 126 126 ILE C C 178.545 0.300 1 1427 127 127 VAL N N 120.118 0.300 1 1428 127 127 VAL H H 8.100 0.030 1 1429 127 127 VAL CA C 64.130 0.300 1 1430 127 127 VAL HA H 3.658 0.030 1 1431 127 127 VAL CB C 31.188 0.300 1 1432 127 127 VAL HB H 1.912 0.030 1 1433 127 127 VAL CG1 C 21.158 0.300 2 1434 127 127 VAL HG1 H 1.048 0.030 1 1435 127 127 VAL CG2 C 22.854 0.300 2 1436 127 127 VAL HG2 H 0.461 0.030 1 1437 127 127 VAL C C 176.926 0.300 1 1438 128 128 LYS N N 117.653 0.300 1 1439 128 128 LYS H H 7.192 0.030 1 1440 128 128 LYS CA C 58.250 0.300 1 1441 128 128 LYS HA H 4.002 0.030 1 1442 128 128 LYS CB C 32.323 0.300 1 1443 128 128 LYS HB2 H 1.924 0.030 2 1444 128 128 LYS HB3 H 1.820 0.030 2 1445 128 128 LYS CG C 25.619 0.300 1 1446 128 128 LYS HG2 H 1.442 0.030 2 1447 128 128 LYS HG3 H 1.763 0.030 2 1448 128 128 LYS CD C 29.463 0.300 1 1449 128 128 LYS HD2 H 1.634 0.030 1 1450 128 128 LYS HD3 H 1.634 0.030 1 1451 128 128 LYS CE C 41.961 0.300 1 1452 128 128 LYS HE2 H 2.922 0.030 1 1453 128 128 LYS HE3 H 2.922 0.030 1 1454 128 128 LYS C C 177.559 0.300 1 1455 129 129 LYS N N 117.177 0.300 1 1456 129 129 LYS H H 8.024 0.030 1 1457 129 129 LYS CA C 56.824 0.300 1 1458 129 129 LYS HA H 4.337 0.030 1 1459 129 129 LYS CB C 32.728 0.300 1 1460 129 129 LYS HB2 H 2.294 0.030 2 1461 129 129 LYS HB3 H 2.067 0.030 2 1462 129 129 LYS CG C 25.813 0.300 1 1463 129 129 LYS HG2 H 1.895 0.030 2 1464 129 129 LYS HG3 H 1.430 0.030 2 1465 129 129 LYS CD C 30.309 0.300 1 1466 129 129 LYS HD2 H 1.728 0.030 2 1467 129 129 LYS HD3 H 1.807 0.030 2 1468 129 129 LYS CE C 41.961 0.300 1 1469 129 129 LYS HE2 H 2.921 0.030 1 1470 129 129 LYS HE3 H 2.921 0.030 1 1471 129 129 LYS C C 177.532 0.300 1 1472 130 130 PHE N N 121.761 0.300 1 1473 130 130 PHE H H 7.961 0.030 1 1474 130 130 PHE CA C 57.722 0.300 1 1475 130 130 PHE HA H 4.241 0.030 1 1476 130 130 PHE CB C 39.089 0.300 1 1477 130 130 PHE HB2 H 3.145 0.030 2 1478 130 130 PHE HB3 H 3.641 0.030 2 1479 130 130 PHE CD1 C 130.452 0.300 1 1480 130 130 PHE HD1 H 7.065 0.030 1 1481 130 130 PHE CD2 C 130.452 0.300 1 1482 130 130 PHE HD2 H 7.065 0.030 1 1483 130 130 PHE CE1 C 130.332 0.300 1 1484 130 130 PHE HE1 H 6.424 0.030 1 1485 130 130 PHE CE2 C 130.332 0.300 1 1486 130 130 PHE HE2 H 6.424 0.030 1 1487 130 130 PHE CZ C 127.962 0.300 1 1488 130 130 PHE HZ H 6.234 0.030 1 1489 130 130 PHE C C 175.940 0.300 1 1490 131 131 HIS N N 124.474 0.300 1 1491 131 131 HIS H H 8.868 0.030 1 1492 131 131 HIS CA C 56.611 0.300 1 1493 131 131 HIS HA H 4.558 0.030 1 1494 131 131 HIS CB C 31.043 0.300 1 1495 131 131 HIS HB2 H 3.325 0.030 2 1496 131 131 HIS HB3 H 3.235 0.030 2 1497 131 131 HIS CD2 C 118.894 0.300 1 1498 131 131 HIS HD2 H 7.217 0.030 1 1499 131 131 HIS CE1 C 138.800 0.300 1 1500 131 131 HIS HE1 H 7.877 0.030 1 1501 131 131 HIS C C 174.360 0.300 1 1502 132 132 PRO CA C 66.474 0.300 1 1503 132 132 PRO HA H 4.227 0.030 1 1504 132 132 PRO CB C 32.498 0.300 1 1505 132 132 PRO HB2 H 2.387 0.030 2 1506 132 132 PRO HB3 H 1.995 0.030 2 1507 132 132 PRO CG C 27.606 0.300 1 1508 132 132 PRO HG2 H 1.892 0.030 1 1509 132 132 PRO HG3 H 1.892 0.030 1 1510 132 132 PRO CD C 50.054 0.300 1 1511 132 132 PRO HD2 H 2.375 0.030 2 1512 132 132 PRO HD3 H 3.580 0.030 2 1513 132 132 PRO C C 178.539 0.300 1 1514 133 133 VAL N N 120.167 0.300 1 1515 133 133 VAL H H 10.025 0.030 1 1516 133 133 VAL CA C 65.716 0.300 1 1517 133 133 VAL HA H 4.360 0.030 1 1518 133 133 VAL CB C 31.544 0.300 1 1519 133 133 VAL HB H 2.316 0.030 1 1520 133 133 VAL CG1 C 21.542 0.300 2 1521 133 133 VAL HG1 H 0.918 0.030 1 1522 133 133 VAL CG2 C 22.799 0.300 2 1523 133 133 VAL HG2 H 1.272 0.030 1 1524 133 133 VAL C C 177.931 0.300 1 1525 134 134 ASN N N 118.125 0.300 1 1526 134 134 ASN H H 7.592 0.030 1 1527 134 134 ASN CA C 58.292 0.300 1 1528 134 134 ASN HA H 4.157 0.030 1 1529 134 134 ASN CB C 37.637 0.300 1 1530 134 134 ASN HB2 H 3.012 0.030 2 1531 134 134 ASN HB3 H 2.832 0.030 2 1532 134 134 ASN ND2 N 113.147 0.300 1 1533 134 134 ASN HD21 H 8.391 0.030 2 1534 134 134 ASN HD22 H 7.272 0.030 2 1535 134 134 ASN C C 177.287 0.300 1 1536 135 135 TYR N N 119.711 0.300 1 1537 135 135 TYR H H 9.706 0.030 1 1538 135 135 TYR CA C 63.586 0.300 1 1539 135 135 TYR HA H 3.866 0.030 1 1540 135 135 TYR CB C 38.562 0.300 1 1541 135 135 TYR HB2 H 3.033 0.030 2 1542 135 135 TYR HB3 H 3.342 0.030 2 1543 135 135 TYR CD1 C 133.902 0.300 1 1544 135 135 TYR HD1 H 7.211 0.030 1 1545 135 135 TYR CD2 C 133.902 0.300 1 1546 135 135 TYR HD2 H 7.211 0.030 1 1547 135 135 TYR CE1 C 117.320 0.300 1 1548 135 135 TYR HE1 H 6.753 0.030 1 1549 135 135 TYR CE2 C 117.320 0.300 1 1550 135 135 TYR HE2 H 6.753 0.030 1 1551 135 135 TYR C C 176.085 0.300 1 1552 136 136 ASP N N 120.030 0.300 1 1553 136 136 ASP H H 8.583 0.030 1 1554 136 136 ASP CA C 57.921 0.300 1 1555 136 136 ASP HA H 4.298 0.030 1 1556 136 136 ASP CB C 40.305 0.300 1 1557 136 136 ASP HB2 H 3.119 0.030 2 1558 136 136 ASP HB3 H 2.482 0.030 2 1559 136 136 ASP C C 179.926 0.300 1 1560 137 137 VAL N N 118.681 0.300 1 1561 137 137 VAL H H 8.427 0.030 1 1562 137 137 VAL CA C 66.996 0.300 1 1563 137 137 VAL HA H 3.723 0.030 1 1564 137 137 VAL CB C 31.476 0.300 1 1565 137 137 VAL HB H 2.316 0.030 1 1566 137 137 VAL CG1 C 22.954 0.300 2 1567 137 137 VAL HG1 H 1.340 0.030 1 1568 137 137 VAL CG2 C 24.717 0.300 2 1569 137 137 VAL HG2 H 1.365 0.030 1 1570 137 137 VAL C C 176.849 0.300 1 1571 138 138 PHE N N 122.369 0.300 1 1572 138 138 PHE H H 9.192 0.030 1 1573 138 138 PHE CA C 61.423 0.300 1 1574 138 138 PHE HA H 4.180 0.030 1 1575 138 138 PHE CB C 39.695 0.300 1 1576 138 138 PHE HB2 H 3.206 0.030 2 1577 138 138 PHE HB3 H 2.944 0.030 2 1578 138 138 PHE CD1 C 130.931 0.300 1 1579 138 138 PHE HD1 H 6.692 0.030 1 1580 138 138 PHE CD2 C 130.931 0.300 1 1581 138 138 PHE HD2 H 6.692 0.030 1 1582 138 138 PHE CE1 C 130.481 0.300 1 1583 138 138 PHE HE1 H 6.336 0.030 1 1584 138 138 PHE CE2 C 130.481 0.300 1 1585 138 138 PHE HE2 H 6.336 0.030 1 1586 138 138 PHE CZ C 128.479 0.300 1 1587 138 138 PHE HZ H 6.154 0.030 1 1588 138 138 PHE C C 175.748 0.300 1 1589 139 139 ARG N N 118.668 0.300 1 1590 139 139 ARG H H 8.818 0.030 1 1591 139 139 ARG CA C 59.006 0.300 1 1592 139 139 ARG HA H 1.926 0.030 1 1593 139 139 ARG CB C 29.323 0.300 1 1594 139 139 ARG HB2 H 1.651 0.030 2 1595 139 139 ARG HB3 H 0.516 0.030 2 1596 139 139 ARG CG C 25.453 0.300 1 1597 139 139 ARG HG2 H 0.995 0.030 2 1598 139 139 ARG HG3 H 0.420 0.030 2 1599 139 139 ARG CD C 43.744 0.300 1 1600 139 139 ARG HD2 H 2.936 0.030 2 1601 139 139 ARG HD3 H 2.989 0.030 2 1602 139 139 ARG NE N 82.581 0.300 1 1603 139 139 ARG HE H 7.456 0.030 1 1604 139 139 ARG C C 178.853 0.300 1 1605 140 140 TYR N N 123.065 0.300 1 1606 140 140 TYR H H 7.937 0.030 1 1607 140 140 TYR CA C 62.460 0.300 1 1608 140 140 TYR HA H 3.904 0.030 1 1609 140 140 TYR CB C 40.018 0.300 1 1610 140 140 TYR HB2 H 3.172 0.030 1 1611 140 140 TYR HB3 H 3.172 0.030 1 1612 140 140 TYR CD1 C 133.100 0.300 1 1613 140 140 TYR HD1 H 6.881 0.030 1 1614 140 140 TYR CD2 C 133.100 0.300 1 1615 140 140 TYR HD2 H 6.881 0.030 1 1616 140 140 TYR CE1 C 118.363 0.300 1 1617 140 140 TYR HE1 H 6.615 0.030 1 1618 140 140 TYR CE2 C 118.363 0.300 1 1619 140 140 TYR HE2 H 6.615 0.030 1 1620 140 140 TYR C C 178.397 0.300 1 1621 141 141 VAL N N 119.839 0.300 1 1622 141 141 VAL H H 8.720 0.030 1 1623 141 141 VAL CA C 66.772 0.300 1 1624 141 141 VAL HA H 3.456 0.030 1 1625 141 141 VAL CB C 31.996 0.300 1 1626 141 141 VAL HB H 1.908 0.030 1 1627 141 141 VAL CG1 C 20.013 0.300 2 1628 141 141 VAL HG1 H 0.483 0.030 1 1629 141 141 VAL CG2 C 24.165 0.300 2 1630 141 141 VAL HG2 H 1.037 0.030 1 1631 141 141 VAL C C 176.808 0.300 1 1632 142 142 ILE N N 120.084 0.300 1 1633 142 142 ILE H H 8.722 0.030 1 1634 142 142 ILE CA C 61.378 0.300 1 1635 142 142 ILE HA H 3.359 0.030 1 1636 142 142 ILE CB C 33.004 0.300 1 1637 142 142 ILE HB H 1.580 0.030 1 1638 142 142 ILE CG1 C 25.916 0.300 1 1639 142 142 ILE HG12 H 0.764 0.030 2 1640 142 142 ILE HG13 H -0.277 0.030 2 1641 142 142 ILE CG2 C 19.947 0.300 1 1642 142 142 ILE HG2 H 0.773 0.030 1 1643 142 142 ILE CD1 C 7.339 0.300 1 1644 142 142 ILE HD1 H 0.238 0.030 1 1645 142 142 ILE C C 177.583 0.300 1 1646 143 143 THR N N 117.343 0.300 1 1647 143 143 THR H H 8.000 0.030 1 1648 143 143 THR CA C 67.337 0.300 1 1649 143 143 THR HA H 4.380 0.030 1 1650 143 143 THR CB C 68.911 0.300 1 1651 143 143 THR HB H 4.202 0.030 1 1652 143 143 THR CG2 C 19.958 0.300 1 1653 143 143 THR HG2 H 1.178 0.030 1 1654 143 143 THR C C 176.470 0.300 1 1655 144 144 HIS N N 122.138 0.300 1 1656 144 144 HIS H H 7.303 0.030 1 1657 144 144 HIS CA C 59.090 0.300 1 1658 144 144 HIS HA H 4.421 0.030 1 1659 144 144 HIS CB C 27.590 0.300 1 1660 144 144 HIS HB2 H 3.271 0.030 2 1661 144 144 HIS HB3 H 2.747 0.030 2 1662 144 144 HIS CD2 C 127.968 0.300 1 1663 144 144 HIS HD2 H 6.412 0.030 1 1664 144 144 HIS CE1 C 136.063 0.300 1 1665 144 144 HIS HE1 H 7.253 0.030 1 1666 144 144 HIS C C 176.322 0.300 1 1667 145 145 LEU N N 117.914 0.300 1 1668 145 145 LEU H H 8.578 0.030 1 1669 145 145 LEU CA C 57.401 0.300 1 1670 145 145 LEU HA H 3.615 0.030 1 1671 145 145 LEU CB C 40.220 0.300 1 1672 145 145 LEU HB2 H 1.723 0.030 2 1673 145 145 LEU HB3 H 1.070 0.030 2 1674 145 145 LEU CG C 25.685 0.300 1 1675 145 145 LEU HG H 1.619 0.030 1 1676 145 145 LEU CD1 C 23.919 0.300 2 1677 145 145 LEU HD1 H -0.242 0.030 1 1678 145 145 LEU CD2 C 22.373 0.300 2 1679 145 145 LEU HD2 H 0.211 0.030 1 1680 145 145 LEU C C 178.934 0.300 1 1681 146 146 ASN N N 119.131 0.300 1 1682 146 146 ASN H H 9.099 0.030 1 1683 146 146 ASN CA C 57.884 0.300 1 1684 146 146 ASN HA H 4.186 0.030 1 1685 146 146 ASN CB C 39.713 0.300 1 1686 146 146 ASN HB2 H 3.035 0.030 2 1687 146 146 ASN HB3 H 3.152 0.030 2 1688 146 146 ASN ND2 N 113.582 0.300 1 1689 146 146 ASN HD21 H 7.286 0.030 2 1690 146 146 ASN HD22 H 8.282 0.030 2 1691 146 146 ASN C C 178.582 0.300 1 1692 147 147 ARG N N 123.318 0.300 1 1693 147 147 ARG H H 8.071 0.030 1 1694 147 147 ARG CA C 60.976 0.300 1 1695 147 147 ARG HA H 3.920 0.030 1 1696 147 147 ARG CB C 29.265 0.300 1 1697 147 147 ARG HB2 H 2.181 0.030 2 1698 147 147 ARG HB3 H 1.870 0.030 2 1699 147 147 ARG CG C 28.409 0.300 1 1700 147 147 ARG HG2 H 1.547 0.030 2 1701 147 147 ARG HG3 H 1.862 0.030 2 1702 147 147 ARG CD C 43.197 0.300 1 1703 147 147 ARG HD2 H 3.239 0.030 2 1704 147 147 ARG HD3 H 3.140 0.030 2 1705 147 147 ARG C C 179.848 0.300 1 1706 148 148 VAL N N 120.078 0.300 1 1707 148 148 VAL H H 8.257 0.030 1 1708 148 148 VAL CA C 67.282 0.300 1 1709 148 148 VAL HA H 3.394 0.030 1 1710 148 148 VAL CB C 31.478 0.300 1 1711 148 148 VAL HB H 2.367 0.030 1 1712 148 148 VAL CG1 C 23.484 0.300 2 1713 148 148 VAL HG1 H 1.049 0.030 1 1714 148 148 VAL CG2 C 22.587 0.300 2 1715 148 148 VAL HG2 H 0.704 0.030 1 1716 148 148 VAL C C 179.565 0.300 1 1717 149 149 SER N N 116.415 0.300 1 1718 149 149 SER H H 8.438 0.030 1 1719 149 149 SER CA C 60.855 0.300 1 1720 149 149 SER HA H 5.096 0.030 1 1721 149 149 SER CB C 63.093 0.300 1 1722 149 149 SER HB2 H 4.021 0.030 2 1723 149 149 SER HB3 H 3.915 0.030 2 1724 149 149 SER C C 176.926 0.300 1 1725 150 150 GLN N N 122.138 0.300 1 1726 150 150 GLN H H 7.750 0.030 1 1727 150 150 GLN CA C 58.022 0.300 1 1728 150 150 GLN HA H 4.410 0.030 1 1729 150 150 GLN CB C 28.256 0.300 1 1730 150 150 GLN HB2 H 2.196 0.030 2 1731 150 150 GLN HB3 H 2.333 0.030 2 1732 150 150 GLN CG C 33.787 0.300 1 1733 150 150 GLN HG2 H 2.627 0.030 2 1734 150 150 GLN HG3 H 2.715 0.030 2 1735 150 150 GLN NE2 N 112.244 0.300 1 1736 150 150 GLN HE21 H 7.147 0.030 2 1737 150 150 GLN HE22 H 6.933 0.030 2 1738 150 150 GLN C C 178.674 0.300 1 1739 151 151 GLN N N 116.344 0.300 1 1740 151 151 GLN H H 7.747 0.030 1 1741 151 151 GLN CA C 53.873 0.300 1 1742 151 151 GLN HA H 4.731 0.030 1 1743 151 151 GLN CB C 27.173 0.300 1 1744 151 151 GLN HB2 H 1.869 0.030 2 1745 151 151 GLN HB3 H 2.690 0.030 2 1746 151 151 GLN CG C 32.733 0.300 1 1747 151 151 GLN HG2 H 2.313 0.030 1 1748 151 151 GLN HG3 H 2.313 0.030 1 1749 151 151 GLN NE2 N 112.199 0.300 1 1750 151 151 GLN HE21 H 7.389 0.030 2 1751 151 151 GLN HE22 H 6.737 0.030 2 1752 151 151 GLN C C 177.026 0.300 1 1753 152 152 HIS N N 120.339 0.300 1 1754 152 152 HIS H H 7.533 0.030 1 1755 152 152 HIS CA C 59.083 0.300 1 1756 152 152 HIS HA H 4.705 0.030 1 1757 152 152 HIS CB C 28.634 0.300 1 1758 152 152 HIS HB2 H 2.887 0.030 2 1759 152 152 HIS HB3 H 3.524 0.030 2 1760 152 152 HIS HD2 H 7.265 0.030 1 1761 152 152 HIS CE1 C 138.315 0.300 1 1762 152 152 HIS HE1 H 7.742 0.030 1 1763 152 152 HIS C C 177.242 0.300 1 1764 153 153 LYS N N 121.798 0.300 1 1765 153 153 LYS H H 8.062 0.030 1 1766 153 153 LYS CA C 59.113 0.300 1 1767 153 153 LYS HA H 3.869 0.030 1 1768 153 153 LYS CB C 31.676 0.300 1 1769 153 153 LYS HB2 H 1.486 0.030 2 1770 153 153 LYS HB3 H 1.656 0.030 2 1771 153 153 LYS CG C 25.496 0.300 1 1772 153 153 LYS HG2 H 1.113 0.030 2 1773 153 153 LYS HG3 H 1.155 0.030 2 1774 153 153 LYS CD C 28.929 0.300 1 1775 153 153 LYS HD2 H 1.580 0.030 2 1776 153 153 LYS HD3 H 1.628 0.030 2 1777 153 153 LYS CE C 41.927 0.300 1 1778 153 153 LYS HE2 H 2.978 0.030 1 1779 153 153 LYS HE3 H 2.978 0.030 1 1780 153 153 LYS C C 176.923 0.300 1 1781 154 154 ILE N N 115.284 0.300 1 1782 154 154 ILE H H 7.829 0.030 1 1783 154 154 ILE CA C 62.023 0.300 1 1784 154 154 ILE HA H 4.179 0.030 1 1785 154 154 ILE CB C 39.847 0.300 1 1786 154 154 ILE HB H 1.837 0.030 1 1787 154 154 ILE CG1 C 27.926 0.300 1 1788 154 154 ILE HG12 H 1.159 0.030 2 1789 154 154 ILE HG13 H 1.507 0.030 2 1790 154 154 ILE CG2 C 18.114 0.300 1 1791 154 154 ILE HG2 H 1.032 0.030 1 1792 154 154 ILE CD1 C 12.962 0.300 1 1793 154 154 ILE HD1 H 0.907 0.030 1 1794 154 154 ILE C C 176.116 0.300 1 1795 155 155 ASN N N 114.679 0.300 1 1796 155 155 ASN H H 8.246 0.030 1 1797 155 155 ASN CA C 53.529 0.300 1 1798 155 155 ASN HA H 4.315 0.030 1 1799 155 155 ASN CB C 38.530 0.300 1 1800 155 155 ASN HB2 H 3.434 0.030 2 1801 155 155 ASN HB3 H 2.265 0.030 2 1802 155 155 ASN ND2 N 111.569 0.300 1 1803 155 155 ASN HD21 H 8.058 0.030 2 1804 155 155 ASN HD22 H 7.109 0.030 2 1805 155 155 ASN C C 176.056 0.300 1 1806 156 156 LEU N N 112.261 0.300 1 1807 156 156 LEU H H 8.040 0.030 1 1808 156 156 LEU CA C 57.166 0.300 1 1809 156 156 LEU HA H 4.280 0.030 1 1810 156 156 LEU CB C 39.321 0.300 1 1811 156 156 LEU HB2 H 2.329 0.030 2 1812 156 156 LEU HB3 H 1.719 0.030 2 1813 156 156 LEU CG C 27.336 0.300 1 1814 156 156 LEU HG H 1.461 0.030 1 1815 156 156 LEU CD1 C 25.602 0.300 2 1816 156 156 LEU HD1 H 0.878 0.030 1 1817 156 156 LEU CD2 C 22.027 0.300 2 1818 156 156 LEU HD2 H 0.859 0.030 1 1819 156 156 LEU C C 177.794 0.300 1 1820 157 157 MET N N 123.190 0.300 1 1821 157 157 MET H H 9.386 0.030 1 1822 157 157 MET CA C 52.908 0.300 1 1823 157 157 MET HA H 5.086 0.030 1 1824 157 157 MET CB C 26.938 0.300 1 1825 157 157 MET HB2 H 2.022 0.030 2 1826 157 157 MET HB3 H 1.557 0.030 2 1827 157 157 MET CG C 29.473 0.300 1 1828 157 157 MET HG2 H 2.575 0.030 2 1829 157 157 MET HG3 H 3.427 0.030 2 1830 157 157 MET CE C 15.672 0.300 1 1831 157 157 MET HE H 1.961 0.030 1 1832 157 157 MET C C 173.549 0.300 1 1833 158 158 THR N N 107.520 0.300 1 1834 158 158 THR H H 6.659 0.030 1 1835 158 158 THR CA C 60.800 0.300 1 1836 158 158 THR HA H 4.138 0.030 1 1837 158 158 THR CB C 71.054 0.300 1 1838 158 158 THR HB H 4.505 0.030 1 1839 158 158 THR CG2 C 22.724 0.300 1 1840 158 158 THR HG2 H 1.085 0.030 1 1841 158 158 THR C C 175.159 0.300 1 1842 159 159 ALA N N 122.316 0.300 1 1843 159 159 ALA H H 9.244 0.030 1 1844 159 159 ALA CA C 56.541 0.300 1 1845 159 159 ALA HA H 3.990 0.030 1 1846 159 159 ALA CB C 18.188 0.300 1 1847 159 159 ALA HB H 1.653 0.030 1 1848 159 159 ALA C C 179.183 0.300 1 1849 160 160 ASP N N 116.978 0.300 1 1850 160 160 ASP H H 8.702 0.030 1 1851 160 160 ASP CA C 57.364 0.300 1 1852 160 160 ASP HA H 4.361 0.030 1 1853 160 160 ASP CB C 40.915 0.300 1 1854 160 160 ASP HB2 H 2.790 0.030 2 1855 160 160 ASP HB3 H 2.451 0.030 2 1856 160 160 ASP C C 177.539 0.300 1 1857 161 161 ASN N N 118.394 0.300 1 1858 161 161 ASN H H 7.582 0.030 1 1859 161 161 ASN CA C 55.932 0.300 1 1860 161 161 ASN HA H 4.577 0.030 1 1861 161 161 ASN CB C 37.848 0.300 1 1862 161 161 ASN HB2 H 2.786 0.030 2 1863 161 161 ASN HB3 H 3.015 0.030 2 1864 161 161 ASN ND2 N 110.236 0.300 1 1865 161 161 ASN HD21 H 7.570 0.030 2 1866 161 161 ASN HD22 H 7.228 0.030 2 1867 161 161 ASN C C 179.397 0.300 1 1868 162 162 LEU N N 121.227 0.300 1 1869 162 162 LEU H H 8.848 0.030 1 1870 162 162 LEU CA C 58.000 0.300 1 1871 162 162 LEU HA H 4.115 0.030 1 1872 162 162 LEU CB C 42.852 0.300 1 1873 162 162 LEU HB2 H 2.021 0.030 2 1874 162 162 LEU HB3 H 1.204 0.030 2 1875 162 162 LEU CG C 27.354 0.300 1 1876 162 162 LEU HG H 1.636 0.030 1 1877 162 162 LEU CD1 C 27.409 0.300 2 1878 162 162 LEU HD1 H 0.873 0.030 1 1879 162 162 LEU CD2 C 23.598 0.300 2 1880 162 162 LEU HD2 H 1.043 0.030 1 1881 162 162 LEU C C 178.763 0.300 1 1882 163 163 SER N N 115.528 0.300 1 1883 163 163 SER H H 8.657 0.030 1 1884 163 163 SER CA C 61.685 0.300 1 1885 163 163 SER HA H 4.186 0.030 1 1886 163 163 SER CB C 62.590 0.300 1 1887 163 163 SER HB2 H 4.551 0.030 2 1888 163 163 SER HB3 H 3.924 0.030 2 1889 163 163 SER C C 178.020 0.300 1 1890 164 164 ILE N N 119.961 0.300 1 1891 164 164 ILE H H 8.520 0.030 1 1892 164 164 ILE CA C 67.069 0.300 1 1893 164 164 ILE HA H 3.758 0.030 1 1894 164 164 ILE CB C 38.622 0.300 1 1895 164 164 ILE HB H 2.096 0.030 1 1896 164 164 ILE CG1 C 30.171 0.300 1 1897 164 164 ILE HG12 H 1.977 0.030 2 1898 164 164 ILE HG13 H 1.078 0.030 2 1899 164 164 ILE CG2 C 17.074 0.300 1 1900 164 164 ILE HG2 H 0.983 0.030 1 1901 164 164 ILE CD1 C 14.005 0.300 1 1902 164 164 ILE HD1 H 0.955 0.030 1 1903 164 164 ILE C C 177.174 0.300 1 1904 165 165 CYS N N 111.888 0.300 1 1905 165 165 CYS H H 7.177 0.030 1 1906 165 165 CYS CA C 61.562 0.300 1 1907 165 165 CYS HA H 4.276 0.030 1 1908 165 165 CYS CB C 28.181 0.300 1 1909 165 165 CYS HB2 H 3.173 0.030 2 1910 165 165 CYS HB3 H 2.628 0.030 2 1911 165 165 CYS C C 175.982 0.300 1 1912 166 166 PHE N N 117.568 0.300 1 1913 166 166 PHE H H 8.420 0.030 1 1914 166 166 PHE CA C 61.240 0.300 1 1915 166 166 PHE HA H 4.498 0.030 1 1916 166 166 PHE CB C 42.345 0.300 1 1917 166 166 PHE HB2 H 2.972 0.030 2 1918 166 166 PHE HB3 H 2.714 0.030 2 1919 166 166 PHE CD1 C 130.145 0.300 1 1920 166 166 PHE HD1 H 7.037 0.030 1 1921 166 166 PHE CD2 C 130.145 0.300 1 1922 166 166 PHE HD2 H 7.037 0.030 1 1923 166 166 PHE CE1 C 131.338 0.300 1 1924 166 166 PHE HE1 H 6.578 0.030 1 1925 166 166 PHE CE2 C 131.338 0.300 1 1926 166 166 PHE HE2 H 6.578 0.030 1 1927 166 166 PHE CZ C 129.703 0.300 1 1928 166 166 PHE HZ H 6.531 0.030 1 1929 166 166 PHE C C 177.618 0.300 1 1930 167 167 TRP N N 125.562 0.300 1 1931 167 167 TRP H H 10.701 0.030 1 1932 167 167 TRP CA C 63.842 0.300 1 1933 167 167 TRP HA H 4.473 0.030 1 1934 167 167 TRP CB C 26.924 0.300 1 1935 167 167 TRP HB2 H 3.589 0.030 2 1936 167 167 TRP HB3 H 3.507 0.030 2 1937 167 167 TRP CD1 C 128.294 0.300 1 1938 167 167 TRP HD1 H 7.510 0.030 1 1939 167 167 TRP NE1 N 130.304 0.300 1 1940 167 167 TRP HE1 H 10.871 0.030 1 1941 167 167 TRP CE3 C 121.360 0.300 1 1942 167 167 TRP HE3 H 7.392 0.030 1 1943 167 167 TRP CZ2 C 114.953 0.300 1 1944 167 167 TRP HZ2 H 7.567 0.030 1 1945 167 167 TRP CZ3 C 120.668 0.300 1 1946 167 167 TRP HZ3 H 6.607 0.030 1 1947 167 167 TRP CH2 C 123.723 0.300 1 1948 167 167 TRP HH2 H 6.985 0.030 1 1949 167 167 TRP C C 175.230 0.300 1 1950 168 168 PRO CA C 65.482 0.300 1 1951 168 168 PRO HA H 3.582 0.030 1 1952 168 168 PRO CB C 30.614 0.300 1 1953 168 168 PRO HB2 H 1.446 0.030 2 1954 168 168 PRO HB3 H 1.679 0.030 2 1955 168 168 PRO CG C 27.520 0.300 1 1956 168 168 PRO HG2 H -0.310 0.030 2 1957 168 168 PRO HG3 H 1.402 0.030 2 1958 168 168 PRO CD C 50.589 0.300 1 1959 168 168 PRO HD2 H 2.837 0.030 2 1960 168 168 PRO HD3 H 2.572 0.030 2 1961 168 168 PRO C C 179.325 0.300 1 1962 169 169 THR N N 112.977 0.300 1 1963 169 169 THR H H 7.089 0.030 1 1964 169 169 THR CA C 65.965 0.300 1 1965 169 169 THR HA H 4.004 0.030 1 1966 169 169 THR CB C 68.912 0.300 1 1967 169 169 THR HB H 4.129 0.030 1 1968 169 169 THR CG2 C 23.112 0.300 1 1969 169 169 THR HG2 H 1.325 0.030 1 1970 169 169 THR C C 176.613 0.300 1 1971 170 170 LEU N N 118.679 0.300 1 1972 170 170 LEU H H 8.371 0.030 1 1973 170 170 LEU CA C 57.011 0.300 1 1974 170 170 LEU HA H 4.269 0.030 1 1975 170 170 LEU CB C 42.544 0.300 1 1976 170 170 LEU HB2 H 1.891 0.030 2 1977 170 170 LEU HB3 H 1.438 0.030 2 1978 170 170 LEU CG C 26.253 0.300 1 1979 170 170 LEU HG H 2.189 0.030 1 1980 170 170 LEU CD1 C 25.231 0.300 2 1981 170 170 LEU HD1 H 0.783 0.030 1 1982 170 170 LEU CD2 C 21.247 0.300 2 1983 170 170 LEU HD2 H 0.615 0.030 1 1984 170 170 LEU C C 174.990 0.300 1 1985 171 171 MET N N 112.929 0.300 1 1986 171 171 MET H H 8.217 0.030 1 1987 171 171 MET CA C 56.521 0.300 1 1988 171 171 MET HA H 4.513 0.030 1 1989 171 171 MET CB C 35.232 0.300 1 1990 171 171 MET HB2 H 1.949 0.030 1 1991 171 171 MET HB3 H 1.949 0.030 1 1992 171 171 MET CG C 35.232 0.300 1 1993 171 171 MET HG2 H 2.239 0.030 2 1994 171 171 MET HG3 H 2.450 0.030 2 1995 171 171 MET CE C 16.662 0.300 1 1996 171 171 MET HE H 1.367 0.030 1 1997 171 171 MET C C 173.422 0.300 1 1998 172 172 ARG N N 117.280 0.300 1 1999 172 172 ARG H H 7.421 0.030 1 2000 172 172 ARG CA C 55.784 0.300 1 2001 172 172 ARG HA H 4.211 0.030 1 2002 172 172 ARG CB C 30.252 0.300 1 2003 172 172 ARG HB2 H 1.948 0.030 1 2004 172 172 ARG HB3 H 1.948 0.030 1 2005 172 172 ARG CG C 27.044 0.300 1 2006 172 172 ARG HG2 H 1.638 0.030 2 2007 172 172 ARG HG3 H 1.923 0.030 2 2008 172 172 ARG CD C 44.037 0.300 1 2009 172 172 ARG HD2 H 3.371 0.030 2 2010 172 172 ARG HD3 H 3.168 0.030 2 2011 172 172 ARG NE N 85.634 0.300 1 2012 172 172 ARG HE H 8.040 0.030 1 2013 173 173 PRO CA C 62.764 0.300 1 2014 173 173 PRO HA H 4.635 0.030 1 2015 173 173 PRO CB C 32.534 0.300 1 2016 173 173 PRO HB2 H 1.971 0.030 2 2017 173 173 PRO HB3 H 1.326 0.030 2 2018 173 173 PRO CG C 27.378 0.300 1 2019 173 173 PRO HG2 H 1.638 0.030 1 2020 173 173 PRO HG3 H 1.638 0.030 1 2021 173 173 PRO CD C 50.559 0.300 1 2022 173 173 PRO HD2 H 3.839 0.030 2 2023 173 173 PRO HD3 H 3.544 0.030 2 2024 173 173 PRO C C 176.044 0.300 1 2025 174 174 ASP N N 119.533 0.300 1 2026 174 174 ASP H H 8.444 0.030 1 2027 174 174 ASP CA C 53.015 0.300 1 2028 174 174 ASP HA H 4.597 0.030 1 2029 174 174 ASP CB C 40.562 0.300 1 2030 174 174 ASP HB2 H 2.765 0.030 2 2031 174 174 ASP HB3 H 2.563 0.030 2 2032 174 174 ASP C C 176.516 0.300 1 2033 175 175 PHE N N 122.278 0.300 1 2034 175 175 PHE H H 8.151 0.030 1 2035 175 175 PHE CA C 58.805 0.300 1 2036 175 175 PHE HA H 4.230 0.030 1 2037 175 175 PHE CB C 39.007 0.300 1 2038 175 175 PHE HB2 H 3.141 0.030 2 2039 175 175 PHE HB3 H 2.915 0.030 2 2040 175 175 PHE CD1 C 131.585 0.300 1 2041 175 175 PHE HD1 H 7.161 0.030 1 2042 175 175 PHE CD2 C 131.585 0.300 1 2043 175 175 PHE HD2 H 7.161 0.030 1 2044 175 175 PHE CE1 C 129.924 0.300 1 2045 175 175 PHE HE1 H 7.224 0.030 1 2046 175 175 PHE CE2 C 129.924 0.300 1 2047 175 175 PHE HE2 H 7.224 0.030 1 2048 175 175 PHE CZ C 129.417 0.300 1 2049 175 175 PHE HZ H 7.053 0.030 1 2050 175 175 PHE C C 176.359 0.300 1 2051 176 176 GLU N N 118.453 0.300 1 2052 176 176 GLU H H 8.363 0.030 1 2053 176 176 GLU CA C 57.115 0.300 1 2054 176 176 GLU HA H 4.201 0.030 1 2055 176 176 GLU CB C 29.584 0.300 1 2056 176 176 GLU HB2 H 2.007 0.030 2 2057 176 176 GLU HB3 H 2.106 0.030 2 2058 176 176 GLU CG C 36.552 0.300 1 2059 176 176 GLU HG2 H 2.192 0.030 2 2060 176 176 GLU HG3 H 2.253 0.030 2 2061 176 176 GLU C C 176.719 0.300 1 2062 177 177 ASN N N 118.386 0.300 1 2063 177 177 ASN H H 7.918 0.030 1 2064 177 177 ASN CA C 53.468 0.300 1 2065 177 177 ASN HA H 4.684 0.030 1 2066 177 177 ASN CB C 39.037 0.300 1 2067 177 177 ASN HB2 H 2.827 0.030 2 2068 177 177 ASN HB3 H 3.001 0.030 2 2069 177 177 ASN ND2 N 113.864 0.300 1 2070 177 177 ASN HD21 H 7.932 0.030 2 2071 177 177 ASN HD22 H 7.015 0.030 2 2072 177 177 ASN C C 176.010 0.300 1 2073 178 178 ARG N N 120.008 0.300 1 2074 178 178 ARG H H 8.527 0.030 1 2075 178 178 ARG CA C 57.776 0.300 1 2076 178 178 ARG HA H 4.213 0.030 1 2077 178 178 ARG CB C 30.190 0.300 1 2078 178 178 ARG HB2 H 1.888 0.030 1 2079 178 178 ARG HB3 H 1.888 0.030 1 2080 178 178 ARG CG C 27.213 0.300 1 2081 178 178 ARG HG2 H 1.692 0.030 1 2082 178 178 ARG HG3 H 1.692 0.030 1 2083 178 178 ARG CD C 43.281 0.300 1 2084 178 178 ARG HD2 H 3.209 0.030 1 2085 178 178 ARG HD3 H 3.209 0.030 1 2086 178 178 ARG C C 177.180 0.300 1 2087 179 179 GLU N N 119.806 0.300 1 2088 179 179 GLU H H 8.532 0.030 1 2089 179 179 GLU CA C 57.503 0.300 1 2090 179 179 GLU HA H 4.227 0.030 1 2091 179 179 GLU CB C 29.448 0.300 1 2092 179 179 GLU HB2 H 1.895 0.030 2 2093 179 179 GLU HB3 H 2.002 0.030 2 2094 179 179 GLU CG C 36.441 0.300 1 2095 179 179 GLU HG2 H 2.129 0.030 2 2096 179 179 GLU HG3 H 2.206 0.030 2 2097 179 179 GLU C C 177.262 0.300 1 2098 180 180 PHE N N 120.005 0.300 1 2099 180 180 PHE H H 8.057 0.030 1 2100 180 180 PHE CA C 59.472 0.300 1 2101 180 180 PHE HA H 4.497 0.030 1 2102 180 180 PHE CB C 39.308 0.300 1 2103 180 180 PHE HB2 H 3.195 0.030 1 2104 180 180 PHE HB3 H 3.195 0.030 1 2105 180 180 PHE CD1 C 131.767 0.300 1 2106 180 180 PHE HD1 H 7.241 0.030 1 2107 180 180 PHE CD2 C 131.767 0.300 1 2108 180 180 PHE HD2 H 7.241 0.030 1 2109 180 180 PHE CE1 C 129.810 0.300 1 2110 180 180 PHE HE1 H 7.224 0.030 1 2111 180 180 PHE CE2 C 129.810 0.300 1 2112 180 180 PHE HE2 H 7.224 0.030 1 2113 180 180 PHE C C 177.023 0.300 1 2114 181 181 LEU N N 121.599 0.300 1 2115 181 181 LEU H H 8.176 0.030 1 2116 181 181 LEU CA C 56.748 0.300 1 2117 181 181 LEU HA H 4.175 0.030 1 2118 181 181 LEU CB C 41.828 0.300 1 2119 181 181 LEU HB2 H 1.755 0.030 2 2120 181 181 LEU HB3 H 1.619 0.030 2 2121 181 181 LEU CG C 27.163 0.300 1 2122 181 181 LEU HG H 1.690 0.030 1 2123 181 181 LEU CD1 C 25.013 0.300 2 2124 181 181 LEU HD1 H 0.949 0.030 1 2125 181 181 LEU CD2 C 23.602 0.300 2 2126 181 181 LEU HD2 H 0.915 0.030 1 2127 181 181 LEU C C 178.441 0.300 1 2128 182 182 SER H H 6.984 0.030 1 2129 183 183 THR H H 7.565 0.030 1 2130 183 183 THR HA H 3.967 0.030 1 2131 183 183 THR CB C 68.755 0.300 1 2132 183 183 THR HB H 4.317 0.030 1 2133 183 183 THR CG2 C 22.137 0.300 1 2134 183 183 THR HG2 H 1.274 0.030 1 2135 184 184 THR N N 112.462 0.300 1 2136 184 184 THR H H 7.901 0.030 1 2137 184 184 THR CA C 62.209 0.300 1 2138 184 184 THR HA H 4.483 0.030 1 2139 184 184 THR CB C 69.566 0.300 1 2140 184 184 THR HB H 4.329 0.030 1 2141 184 184 THR CG2 C 21.427 0.300 1 2142 184 184 THR HG2 H 1.194 0.030 1 2143 186 186 ILE H H 7.661 0.030 1 2144 186 186 ILE CA C 63.342 0.300 1 2145 186 186 ILE HA H 3.735 0.030 1 2146 186 186 ILE CB C 36.414 0.300 1 2147 186 186 ILE HB H 1.768 0.030 1 2148 186 186 ILE CG1 C 27.722 0.300 1 2149 186 186 ILE HG12 H 1.144 0.030 2 2150 186 186 ILE HG13 H 1.399 0.030 2 2151 186 186 ILE CG2 C 19.243 0.300 1 2152 186 186 ILE HG2 H 0.758 0.030 1 2153 186 186 ILE CD1 C 11.812 0.300 1 2154 186 186 ILE HD1 H 0.722 0.030 1 2155 187 187 HIS H H 7.512 0.030 1 2156 187 187 HIS CA C 61.317 0.300 1 2157 187 187 HIS HA H 3.478 0.030 1 2158 187 187 HIS CB C 27.721 0.300 1 2159 187 187 HIS HB2 H 1.406 0.030 2 2160 187 187 HIS HB3 H 2.025 0.030 2 2161 187 187 HIS HD2 H 6.738 0.030 1 2162 187 187 HIS CE1 C 138.294 0.300 1 2163 187 187 HIS HE1 H 7.519 0.030 1 2164 187 187 HIS C C 176.917 0.300 1 2165 188 188 GLN N N 116.357 0.300 1 2166 188 188 GLN H H 7.335 0.030 1 2167 188 188 GLN CA C 58.150 0.300 1 2168 188 188 GLN HA H 3.553 0.030 1 2169 188 188 GLN CB C 29.057 0.300 1 2170 188 188 GLN HB2 H 1.992 0.030 2 2171 188 188 GLN HB3 H 1.921 0.030 2 2172 188 188 GLN CG C 32.881 0.300 1 2173 188 188 GLN HG2 H 2.269 0.030 2 2174 188 188 GLN HG3 H 2.416 0.030 2 2175 188 188 GLN NE2 N 116.150 0.300 1 2176 188 188 GLN HE21 H 6.772 0.030 2 2177 188 188 GLN HE22 H 8.730 0.030 2 2178 188 188 GLN C C 179.892 0.300 1 2179 189 189 SER N N 116.444 0.300 1 2180 189 189 SER H H 7.951 0.030 1 2181 189 189 SER CA C 61.053 0.300 1 2182 189 189 SER HA H 4.469 0.030 1 2183 189 189 SER CB C 62.887 0.300 1 2184 189 189 SER HB2 H 4.011 0.030 1 2185 189 189 SER HB3 H 4.011 0.030 1 2186 189 189 SER C C 177.230 0.300 1 2187 190 190 VAL N N 124.676 0.300 1 2188 190 190 VAL H H 8.200 0.030 1 2189 190 190 VAL CA C 67.472 0.300 1 2190 190 190 VAL HA H 3.395 0.030 1 2191 190 190 VAL CB C 31.550 0.300 1 2192 190 190 VAL HB H 2.310 0.030 1 2193 190 190 VAL CG1 C 22.125 0.300 2 2194 190 190 VAL HG1 H 0.929 0.030 1 2195 190 190 VAL CG2 C 24.344 0.300 2 2196 190 190 VAL HG2 H 0.879 0.030 1 2197 190 190 VAL C C 176.933 0.300 1 2198 191 191 VAL N N 117.153 0.300 1 2199 191 191 VAL H H 7.265 0.030 1 2200 191 191 VAL CA C 68.165 0.300 1 2201 191 191 VAL HA H 3.839 0.030 1 2202 191 191 VAL CB C 30.839 0.300 1 2203 191 191 VAL HB H 2.666 0.030 1 2204 191 191 VAL CG1 C 21.790 0.300 2 2205 191 191 VAL HG1 H 0.978 0.030 1 2206 191 191 VAL CG2 C 24.778 0.300 2 2207 191 191 VAL HG2 H 1.191 0.030 1 2208 191 191 VAL C C 177.013 0.300 1 2209 192 192 GLU N N 120.150 0.300 1 2210 192 192 GLU H H 8.294 0.030 1 2211 192 192 GLU CA C 60.656 0.300 1 2212 192 192 GLU HA H 3.750 0.030 1 2213 192 192 GLU CB C 30.042 0.300 1 2214 192 192 GLU HB2 H 2.122 0.030 2 2215 192 192 GLU HB3 H 2.484 0.030 2 2216 192 192 GLU CG C 35.287 0.300 1 2217 192 192 GLU HG2 H 2.039 0.030 1 2218 192 192 GLU HG3 H 2.039 0.030 1 2219 192 192 GLU C C 177.572 0.300 1 2220 193 193 THR N N 115.400 0.300 1 2221 193 193 THR H H 8.188 0.030 1 2222 193 193 THR CA C 67.374 0.300 1 2223 193 193 THR HA H 4.003 0.030 1 2224 193 193 THR CB C 68.192 0.300 1 2225 193 193 THR HB H 4.245 0.030 1 2226 193 193 THR CG2 C 22.068 0.300 1 2227 193 193 THR HG2 H 1.091 0.030 1 2228 193 193 THR C C 176.409 0.300 1 2229 194 194 PHE N N 119.955 0.300 1 2230 194 194 PHE H H 7.877 0.030 1 2231 194 194 PHE CA C 62.441 0.300 1 2232 194 194 PHE HA H 4.310 0.030 1 2233 194 194 PHE CB C 38.357 0.300 1 2234 194 194 PHE HB2 H 2.991 0.030 2 2235 194 194 PHE HB3 H 2.808 0.030 2 2236 194 194 PHE CD1 C 131.254 0.300 1 2237 194 194 PHE HD1 H 6.757 0.030 1 2238 194 194 PHE CD2 C 131.254 0.300 1 2239 194 194 PHE HD2 H 6.757 0.030 1 2240 194 194 PHE CE1 C 129.841 0.300 1 2241 194 194 PHE HE1 H 6.438 0.030 1 2242 194 194 PHE CE2 C 129.841 0.300 1 2243 194 194 PHE HE2 H 6.438 0.030 1 2244 194 194 PHE CZ C 128.217 0.300 1 2245 194 194 PHE HZ H 6.694 0.030 1 2246 194 194 PHE C C 175.717 0.300 1 2247 195 195 ILE N N 113.657 0.300 1 2248 195 195 ILE H H 7.665 0.030 1 2249 195 195 ILE CA C 66.284 0.300 1 2250 195 195 ILE HA H 3.605 0.030 1 2251 195 195 ILE CB C 38.903 0.300 1 2252 195 195 ILE HB H 1.975 0.030 1 2253 195 195 ILE CG1 C 29.048 0.300 1 2254 195 195 ILE HG12 H 0.675 0.030 2 2255 195 195 ILE HG13 H 2.118 0.030 2 2256 195 195 ILE CG2 C 16.382 0.300 1 2257 195 195 ILE HG2 H 0.799 0.030 1 2258 195 195 ILE CD1 C 15.500 0.300 1 2259 195 195 ILE HD1 H 0.759 0.030 1 2260 195 195 ILE C C 178.803 0.300 1 2261 196 196 GLN N N 119.185 0.300 1 2262 196 196 GLN H H 9.018 0.030 1 2263 196 196 GLN CA C 58.883 0.300 1 2264 196 196 GLN HA H 4.185 0.030 1 2265 196 196 GLN CB C 29.964 0.300 1 2266 196 196 GLN HB2 H 2.204 0.030 2 2267 196 196 GLN HB3 H 2.054 0.030 2 2268 196 196 GLN CG C 33.239 0.300 1 2269 196 196 GLN HG2 H 2.412 0.030 2 2270 196 196 GLN HG3 H 2.296 0.030 2 2271 196 196 GLN NE2 N 112.159 0.300 1 2272 196 196 GLN HE21 H 7.500 0.030 2 2273 196 196 GLN HE22 H 6.816 0.030 2 2274 196 196 GLN C C 179.166 0.300 1 2275 197 197 GLN N N 112.982 0.300 1 2276 197 197 GLN H H 8.469 0.030 1 2277 197 197 GLN CA C 53.154 0.300 1 2278 197 197 GLN HA H 4.774 0.030 1 2279 197 197 GLN CB C 24.634 0.300 1 2280 197 197 GLN HB2 H 1.960 0.030 2 2281 197 197 GLN HB3 H 2.273 0.030 2 2282 197 197 GLN CG C 30.839 0.300 1 2283 197 197 GLN HG2 H 2.450 0.030 2 2284 197 197 GLN HG3 H 2.306 0.030 2 2285 197 197 GLN NE2 N 111.210 0.300 1 2286 197 197 GLN HE21 H 7.649 0.030 2 2287 197 197 GLN HE22 H 7.741 0.030 2 2288 197 197 GLN C C 174.378 0.300 1 2289 198 198 CYS N N 121.227 0.300 1 2290 198 198 CYS H H 6.943 0.030 1 2291 198 198 CYS CA C 62.859 0.300 1 2292 198 198 CYS HA H 4.312 0.030 1 2293 198 198 CYS CB C 27.871 0.300 1 2294 198 198 CYS HB2 H 3.335 0.030 2 2295 198 198 CYS HB3 H 3.022 0.030 2 2296 198 198 CYS C C 175.555 0.300 1 2297 199 199 GLN N N 116.046 0.300 1 2298 199 199 GLN H H 9.014 0.030 1 2299 199 199 GLN CA C 59.573 0.300 1 2300 199 199 GLN HA H 4.331 0.030 1 2301 199 199 GLN CB C 28.393 0.300 1 2302 199 199 GLN HB2 H 2.122 0.030 2 2303 199 199 GLN HB3 H 2.199 0.030 2 2304 199 199 GLN CG C 33.969 0.300 1 2305 199 199 GLN HG2 H 2.536 0.030 1 2306 199 199 GLN HG3 H 2.536 0.030 1 2307 199 199 GLN NE2 N 112.178 0.300 1 2308 199 199 GLN HE21 H 7.619 0.030 2 2309 199 199 GLN HE22 H 6.564 0.030 2 2310 199 199 GLN C C 179.823 0.300 1 2311 200 200 PHE N N 122.863 0.300 1 2312 200 200 PHE H H 8.043 0.030 1 2313 200 200 PHE CA C 60.333 0.300 1 2314 200 200 PHE HA H 4.202 0.030 1 2315 200 200 PHE CB C 38.984 0.300 1 2316 200 200 PHE HB2 H 2.724 0.030 1 2317 200 200 PHE HB3 H 2.724 0.030 1 2318 200 200 PHE HD1 H 6.267 0.030 1 2319 200 200 PHE HD2 H 6.267 0.030 1 2320 200 200 PHE CE1 C 128.595 0.300 1 2321 200 200 PHE HE1 H 5.995 0.030 1 2322 200 200 PHE CE2 C 128.595 0.300 1 2323 200 200 PHE HE2 H 5.995 0.030 1 2324 200 200 PHE CZ C 131.477 0.300 1 2325 200 200 PHE HZ H 6.768 0.030 1 2326 200 200 PHE C C 176.558 0.300 1 2327 201 201 PHE N N 115.317 0.300 1 2328 201 201 PHE H H 8.109 0.030 1 2329 201 201 PHE CA C 63.151 0.300 1 2330 201 201 PHE HA H 3.473 0.030 1 2331 201 201 PHE CB C 39.115 0.300 1 2332 201 201 PHE HB2 H 2.137 0.030 2 2333 201 201 PHE HB3 H 1.654 0.030 2 2334 201 201 PHE CD1 C 131.159 0.300 1 2335 201 201 PHE HD1 H 6.943 0.030 1 2336 201 201 PHE CD2 C 131.159 0.300 1 2337 201 201 PHE HD2 H 6.943 0.030 1 2338 201 201 PHE CE1 C 128.952 0.300 1 2339 201 201 PHE HE1 H 6.760 0.030 1 2340 201 201 PHE CE2 C 128.952 0.300 1 2341 201 201 PHE HE2 H 6.760 0.030 1 2342 201 201 PHE CZ C 131.395 0.300 1 2343 201 201 PHE HZ H 7.263 0.030 1 2344 201 201 PHE C C 177.708 0.300 1 2345 202 202 PHE N N 111.060 0.300 1 2346 202 202 PHE H H 8.127 0.030 1 2347 202 202 PHE CA C 58.180 0.300 1 2348 202 202 PHE HA H 4.774 0.030 1 2349 202 202 PHE CB C 41.034 0.300 1 2350 202 202 PHE HB2 H 2.419 0.030 2 2351 202 202 PHE HB3 H 2.351 0.030 2 2352 202 202 PHE CD1 C 131.299 0.300 1 2353 202 202 PHE HD1 H 6.760 0.030 1 2354 202 202 PHE CD2 C 131.299 0.300 1 2355 202 202 PHE HD2 H 6.760 0.030 1 2356 202 202 PHE CE1 C 128.675 0.300 1 2357 202 202 PHE HE1 H 6.523 0.030 1 2358 202 202 PHE CE2 C 128.675 0.300 1 2359 202 202 PHE HE2 H 6.523 0.030 1 2360 202 202 PHE C C 175.690 0.300 1 2361 203 203 TYR N N 117.148 0.300 1 2362 203 203 TYR H H 7.598 0.030 1 2363 203 203 TYR CA C 56.978 0.300 1 2364 203 203 TYR HA H 4.938 0.030 1 2365 203 203 TYR CB C 38.634 0.300 1 2366 203 203 TYR HB2 H 3.528 0.030 2 2367 203 203 TYR HB3 H 2.766 0.030 2 2368 203 203 TYR CD1 C 134.107 0.300 1 2369 203 203 TYR HD1 H 7.174 0.030 1 2370 203 203 TYR CD2 C 134.107 0.300 1 2371 203 203 TYR HD2 H 7.174 0.030 1 2372 203 203 TYR CE1 C 117.337 0.300 1 2373 203 203 TYR HE1 H 6.760 0.030 1 2374 203 203 TYR CE2 C 117.337 0.300 1 2375 203 203 TYR HE2 H 6.760 0.030 1 2376 203 203 TYR C C 175.384 0.300 1 2377 204 204 ASN N N 116.932 0.300 1 2378 204 204 ASN H H 8.591 0.030 1 2379 204 204 ASN CA C 54.400 0.300 1 2380 204 204 ASN HA H 4.373 0.030 1 2381 204 204 ASN CB C 37.240 0.300 1 2382 204 204 ASN HB2 H 3.076 0.030 2 2383 204 204 ASN HB3 H 2.771 0.030 2 2384 204 204 ASN ND2 N 114.141 0.300 1 2385 204 204 ASN HD21 H 6.883 0.030 2 2386 204 204 ASN HD22 H 7.655 0.030 2 2387 204 204 ASN C C 175.186 0.300 1 2388 205 205 GLY N N 104.211 0.300 1 2389 205 205 GLY H H 8.058 0.030 1 2390 205 205 GLY CA C 44.038 0.300 1 2391 205 205 GLY HA2 H 4.445 0.030 2 2392 205 205 GLY HA3 H 3.367 0.030 2 2393 205 205 GLY C C 173.182 0.300 1 2394 206 206 GLU N N 116.924 0.300 1 2395 206 206 GLU H H 8.242 0.030 1 2396 206 206 GLU CA C 55.459 0.300 1 2397 206 206 GLU HA H 4.409 0.030 1 2398 206 206 GLU CB C 30.812 0.300 1 2399 206 206 GLU HB2 H 2.026 0.030 2 2400 206 206 GLU HB3 H 1.791 0.030 2 2401 206 206 GLU CG C 36.318 0.300 1 2402 206 206 GLU HG2 H 2.303 0.030 2 2403 206 206 GLU HG3 H 2.359 0.030 2 2404 206 206 GLU C C 177.549 0.300 1 2405 207 207 ILE N N 124.614 0.300 1 2406 207 207 ILE H H 8.668 0.030 1 2407 207 207 ILE CA C 63.344 0.300 1 2408 207 207 ILE HA H 3.448 0.030 1 2409 207 207 ILE CB C 38.666 0.300 1 2410 207 207 ILE HB H 1.391 0.030 1 2411 207 207 ILE CG1 C 29.607 0.300 1 2412 207 207 ILE HG12 H -0.313 0.030 2 2413 207 207 ILE HG13 H 1.177 0.030 2 2414 207 207 ILE CG2 C 16.961 0.300 1 2415 207 207 ILE HG2 H 0.448 0.030 1 2416 207 207 ILE CD1 C 13.305 0.300 1 2417 207 207 ILE HD1 H 0.322 0.030 1 2418 207 207 ILE C C 176.481 0.300 1 2419 208 208 VAL N N 127.042 0.300 1 2420 208 208 VAL H H 9.040 0.030 1 2421 208 208 VAL CA C 61.162 0.300 1 2422 208 208 VAL HA H 4.356 0.030 1 2423 208 208 VAL CB C 33.459 0.300 1 2424 208 208 VAL HB H 2.134 0.030 1 2425 208 208 VAL CG1 C 21.407 0.300 2 2426 208 208 VAL HG1 H 0.965 0.030 1 2427 208 208 VAL CG2 C 19.600 0.300 2 2428 208 208 VAL HG2 H 0.937 0.030 1 2429 208 208 VAL C C 176.095 0.300 1 2430 209 209 GLU N N 130.540 0.300 1 2431 209 209 GLU H H 8.374 0.030 1 2432 209 209 GLU CA C 58.672 0.300 1 2433 209 209 GLU HA H 3.844 0.030 1 2434 209 209 GLU CB C 30.771 0.300 1 2435 209 209 GLU HB2 H 1.825 0.030 2 2436 209 209 GLU HB3 H 1.950 0.030 2 2437 209 209 GLU CG C 36.390 0.300 1 2438 209 209 GLU HG2 H 2.141 0.030 2 2439 209 209 GLU HG3 H 2.202 0.030 2 2440 209 209 GLU C C 180.817 0.300 1 stop_ save_