data_10145 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-teruminus extended RhoGAP domain from human Rho GTPase activating protein 5 variant ; _BMRB_accession_number 10145 _BMRB_flat_file_name bmr10145.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" 1329 "13C chemical shifts" 990 "15N chemical shifts" 222 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 N-teruminus extended 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 219 _Mol_residue_sequence ; GSSGSSGKNFNPPTRRNWES NYFGMPLQDLVTAEKPIPLF VEKCVEFIEDTGLCTEGLYR VSGNKTDQDNIQKQFDQDHN INLVSMEVTVNAVAGALKAF FADLPDPLIPYSLHPELLEA AKIPDKTERLHALKEIVKKF HPVNYDVFRYVITHLNRVSQ QHKINLMTADNLSICFWPTL MRPDFENREFLSTTKIHQSV VETFIQQCQFFFYNGEIVE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ASN 10 PHE 11 ASN 12 PRO 13 PRO 14 THR 15 ARG 16 ARG 17 ASN 18 TRP 19 GLU 20 SER 21 ASN 22 TYR 23 PHE 24 GLY 25 MET 26 PRO 27 LEU 28 GLN 29 ASP 30 LEU 31 VAL 32 THR 33 ALA 34 GLU 35 LYS 36 PRO 37 ILE 38 PRO 39 LEU 40 PHE 41 VAL 42 GLU 43 LYS 44 CYS 45 VAL 46 GLU 47 PHE 48 ILE 49 GLU 50 ASP 51 THR 52 GLY 53 LEU 54 CYS 55 THR 56 GLU 57 GLY 58 LEU 59 TYR 60 ARG 61 VAL 62 SER 63 GLY 64 ASN 65 LYS 66 THR 67 ASP 68 GLN 69 ASP 70 ASN 71 ILE 72 GLN 73 LYS 74 GLN 75 PHE 76 ASP 77 GLN 78 ASP 79 HIS 80 ASN 81 ILE 82 ASN 83 LEU 84 VAL 85 SER 86 MET 87 GLU 88 VAL 89 THR 90 VAL 91 ASN 92 ALA 93 VAL 94 ALA 95 GLY 96 ALA 97 LEU 98 LYS 99 ALA 100 PHE 101 PHE 102 ALA 103 ASP 104 LEU 105 PRO 106 ASP 107 PRO 108 LEU 109 ILE 110 PRO 111 TYR 112 SER 113 LEU 114 HIS 115 PRO 116 GLU 117 LEU 118 LEU 119 GLU 120 ALA 121 ALA 122 LYS 123 ILE 124 PRO 125 ASP 126 LYS 127 THR 128 GLU 129 ARG 130 LEU 131 HIS 132 ALA 133 LEU 134 LYS 135 GLU 136 ILE 137 VAL 138 LYS 139 LYS 140 PHE 141 HIS 142 PRO 143 VAL 144 ASN 145 TYR 146 ASP 147 VAL 148 PHE 149 ARG 150 TYR 151 VAL 152 ILE 153 THR 154 HIS 155 LEU 156 ASN 157 ARG 158 VAL 159 SER 160 GLN 161 GLN 162 HIS 163 LYS 164 ILE 165 ASN 166 LEU 167 MET 168 THR 169 ALA 170 ASP 171 ASN 172 LEU 173 SER 174 ILE 175 CYS 176 PHE 177 TRP 178 PRO 179 THR 180 LEU 181 MET 182 ARG 183 PRO 184 ASP 185 PHE 186 GLU 187 ASN 188 ARG 189 GLU 190 PHE 191 LEU 192 SER 193 THR 194 THR 195 LYS 196 ILE 197 HIS 198 GLN 199 SER 200 VAL 201 VAL 202 GLU 203 THR 204 PHE 205 ILE 206 GLN 207 GLN 208 CYS 209 GLN 210 PHE 211 PHE 212 PHE 213 TYR 214 ASN 215 GLY 216 GLU 217 ILE 218 VAL 219 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 2EE5 "Solution Structure Of The N-Teruminus Extended Rhogap Domain From Human Rho Gtpase Activating Protein 5 Variant" 100.00 219 100.00 100.00 8.54e-162 DBJ BAD92988 "Rho GTPase activating protein 5 variant [Homo sapiens]" 96.80 1138 100.00 100.00 2.39e-146 GB AAH50059 "ARHGAP5 protein [Homo sapiens]" 96.80 1502 99.53 99.53 9.65e-143 GB AAH75799 "ARHGAP5 protein [Homo sapiens]" 76.71 237 100.00 100.00 9.07e-120 GB AAI29929 "ARHGAP5 protein [Homo sapiens]" 89.04 241 100.00 100.00 1.96e-140 GB AAI29930 "ARHGAP5 protein [Homo sapiens]" 76.71 237 100.00 100.00 9.90e-120 GB AAI50824 "Rho GTPase activating protein 5 [Mus musculus]" 96.80 1503 98.11 98.58 1.24e-140 REF NP_001025226 "rho GTPase-activating protein 5 isoform a [Homo sapiens]" 96.80 1502 100.00 100.00 9.68e-144 REF NP_001164 "rho GTPase-activating protein 5 isoform b [Homo sapiens]" 96.80 1501 100.00 100.00 9.55e-144 REF NP_001185592 "Rho GTPase activating protein 5 [Macaca mulatta]" 96.80 1502 99.06 100.00 7.20e-142 REF NP_033836 "rho GTPase-activating protein 5 [Mus musculus]" 96.80 1503 98.11 98.58 1.17e-140 REF XP_001915097 "PREDICTED: rho GTPase-activating protein 5 [Equus caballus]" 97.26 1418 97.18 98.59 3.04e-140 SP P97393 "RecName: Full=Rho GTPase-activating protein 5; AltName: Full=Rho-type GTPase-activating protein 5; AltName: Full=p190-B" 96.80 1501 98.11 98.58 1.09e-140 SP Q13017 "RecName: Full=Rho GTPase-activating protein 5; AltName: Full=Rho-type GTPase-activating protein 5; AltName: Full=p190-B" 96.80 1502 100.00 100.00 9.68e-144 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 P060123-15 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 7 7 GLY CA C 45.391 0.300 1 2 7 7 GLY HA2 H 3.956 0.030 1 3 7 7 GLY HA3 H 3.956 0.030 1 4 7 7 GLY C C 174.012 0.300 1 5 8 8 LYS N N 120.512 0.300 1 6 8 8 LYS H H 8.140 0.030 1 7 8 8 LYS CA C 56.268 0.300 1 8 8 8 LYS HA H 4.266 0.030 1 9 8 8 LYS CB C 33.009 0.300 1 10 8 8 LYS HB2 H 1.674 0.030 2 11 8 8 LYS HB3 H 1.731 0.030 2 12 8 8 LYS CG C 24.563 0.300 1 13 8 8 LYS HG2 H 1.366 0.030 2 14 8 8 LYS HG3 H 1.327 0.030 2 15 8 8 LYS CD C 29.006 0.300 1 16 8 8 LYS HD2 H 1.639 0.030 1 17 8 8 LYS HD3 H 1.639 0.030 1 18 8 8 LYS CE C 42.089 0.300 1 19 8 8 LYS HE2 H 2.970 0.030 1 20 8 8 LYS HE3 H 2.970 0.030 1 21 8 8 LYS C C 176.164 0.300 1 22 9 9 ASN N N 119.178 0.300 1 23 9 9 ASN H H 8.394 0.030 1 24 9 9 ASN CA C 53.181 0.300 1 25 9 9 ASN HA H 4.637 0.030 1 26 9 9 ASN CB C 38.893 0.300 1 27 9 9 ASN HB2 H 2.650 0.030 2 28 9 9 ASN HB3 H 2.739 0.030 2 29 9 9 ASN ND2 N 112.949 0.300 1 30 9 9 ASN HD21 H 7.560 0.030 2 31 9 9 ASN HD22 H 6.902 0.030 2 32 9 9 ASN C C 174.500 0.300 1 33 10 10 PHE N N 120.658 0.300 1 34 10 10 PHE H H 8.149 0.030 1 35 10 10 PHE CA C 57.540 0.300 1 36 10 10 PHE HA H 4.577 0.030 1 37 10 10 PHE CB C 39.653 0.300 1 38 10 10 PHE HB2 H 2.963 0.030 2 39 10 10 PHE HB3 H 3.049 0.030 2 40 10 10 PHE CD1 C 131.772 0.300 1 41 10 10 PHE HD1 H 7.203 0.030 1 42 10 10 PHE CD2 C 131.772 0.300 1 43 10 10 PHE HD2 H 7.203 0.030 1 44 10 10 PHE CE1 C 131.507 0.300 1 45 10 10 PHE HE1 H 7.323 0.030 1 46 10 10 PHE CE2 C 131.507 0.300 1 47 10 10 PHE HE2 H 7.323 0.030 1 48 10 10 PHE CZ C 129.777 0.300 1 49 10 10 PHE HZ H 7.299 0.030 1 50 10 10 PHE C C 174.707 0.300 1 51 11 11 ASN N N 122.076 0.300 1 52 11 11 ASN H H 8.339 0.030 1 53 11 11 ASN CA C 51.078 0.300 1 54 11 11 ASN HA H 4.915 0.030 1 55 11 11 ASN CB C 39.054 0.300 1 56 11 11 ASN HB2 H 2.523 0.030 2 57 11 11 ASN HB3 H 2.676 0.030 2 58 11 11 ASN ND2 N 113.246 0.300 1 59 11 11 ASN HD21 H 7.539 0.030 2 60 11 11 ASN HD22 H 6.892 0.030 2 61 11 11 ASN C C 171.891 0.300 1 62 12 12 PRO CA C 61.497 0.300 1 63 12 12 PRO HA H 4.545 0.030 1 64 12 12 PRO CB C 30.887 0.300 1 65 12 12 PRO HB2 H 2.291 0.030 2 66 12 12 PRO HB3 H 1.903 0.030 2 67 12 12 PRO CG C 27.242 0.300 1 68 12 12 PRO HG2 H 1.966 0.030 1 69 12 12 PRO HG3 H 1.966 0.030 1 70 12 12 PRO CD C 50.378 0.300 1 71 12 12 PRO HD2 H 3.581 0.030 2 72 12 12 PRO HD3 H 3.548 0.030 2 73 13 13 PRO CA C 63.013 0.300 1 74 13 13 PRO HA H 4.451 0.030 1 75 13 13 PRO CB C 32.035 0.300 1 76 13 13 PRO HB2 H 2.271 0.030 2 77 13 13 PRO HB3 H 1.913 0.030 2 78 13 13 PRO CG C 27.340 0.300 1 79 13 13 PRO HG2 H 2.017 0.030 1 80 13 13 PRO HG3 H 2.017 0.030 1 81 13 13 PRO CD C 50.493 0.300 1 82 13 13 PRO HD2 H 3.665 0.030 2 83 13 13 PRO HD3 H 3.765 0.030 2 84 13 13 PRO C C 176.993 0.300 1 85 14 14 THR N N 114.541 0.300 1 86 14 14 THR H H 8.179 0.030 1 87 14 14 THR CA C 61.729 0.300 1 88 14 14 THR HA H 4.235 0.030 1 89 14 14 THR CB C 69.803 0.300 1 90 14 14 THR HB H 4.131 0.030 1 91 14 14 THR CG2 C 21.670 0.300 1 92 14 14 THR HG2 H 1.159 0.030 1 93 14 14 THR C C 174.272 0.300 1 94 15 15 ARG N N 123.700 0.300 1 95 15 15 ARG H H 8.332 0.030 1 96 15 15 ARG CA C 55.868 0.300 1 97 15 15 ARG HA H 4.271 0.030 1 98 15 15 ARG CB C 30.977 0.300 1 99 15 15 ARG HB2 H 1.691 0.030 2 100 15 15 ARG HB3 H 1.780 0.030 2 101 15 15 ARG CG C 26.990 0.300 1 102 15 15 ARG HG2 H 1.551 0.030 1 103 15 15 ARG HG3 H 1.551 0.030 1 104 15 15 ARG CD C 43.203 0.300 1 105 15 15 ARG HD2 H 3.132 0.030 1 106 15 15 ARG HD3 H 3.132 0.030 1 107 15 15 ARG C C 175.956 0.300 1 108 16 16 ARG N N 123.077 0.300 1 109 16 16 ARG H H 8.337 0.030 1 110 16 16 ARG CA C 56.243 0.300 1 111 16 16 ARG HA H 4.095 0.030 1 112 16 16 ARG CB C 30.849 0.300 1 113 16 16 ARG HB2 H 1.372 0.030 2 114 16 16 ARG HB3 H 1.313 0.030 2 115 16 16 ARG CG C 27.066 0.300 1 116 16 16 ARG HG2 H 1.001 0.030 2 117 16 16 ARG HG3 H 0.871 0.030 2 118 16 16 ARG CD C 42.266 0.300 1 119 16 16 ARG HD2 H 2.164 0.030 2 120 16 16 ARG HD3 H 2.446 0.030 2 121 16 16 ARG HE H 7.247 0.030 1 122 16 16 ARG C C 176.322 0.300 1 123 17 17 ASN N N 121.335 0.300 1 124 17 17 ASN H H 8.512 0.030 1 125 17 17 ASN CA C 52.929 0.300 1 126 17 17 ASN HA H 4.705 0.030 1 127 17 17 ASN CB C 38.348 0.300 1 128 17 17 ASN HB2 H 2.827 0.030 2 129 17 17 ASN HB3 H 2.953 0.030 2 130 17 17 ASN ND2 N 111.683 0.300 1 131 17 17 ASN HD21 H 6.893 0.030 2 132 17 17 ASN HD22 H 7.624 0.030 2 133 17 17 ASN C C 174.044 0.300 1 134 18 18 TRP N N 118.030 0.300 1 135 18 18 TRP H H 7.208 0.030 1 136 18 18 TRP CA C 55.147 0.300 1 137 18 18 TRP HA H 4.832 0.030 1 138 18 18 TRP CB C 30.689 0.300 1 139 18 18 TRP HB2 H 3.331 0.030 2 140 18 18 TRP HB3 H 3.278 0.030 2 141 18 18 TRP CD1 C 128.454 0.300 1 142 18 18 TRP HD1 H 7.265 0.030 1 143 18 18 TRP NE1 N 131.612 0.300 1 144 18 18 TRP HE1 H 10.978 0.030 1 145 18 18 TRP CE3 C 121.733 0.300 1 146 18 18 TRP HE3 H 7.651 0.030 1 147 18 18 TRP CZ2 C 114.038 0.300 1 148 18 18 TRP HZ2 H 7.122 0.030 1 149 18 18 TRP CZ3 C 121.555 0.300 1 150 18 18 TRP HZ3 H 7.140 0.030 1 151 18 18 TRP CH2 C 124.098 0.300 1 152 18 18 TRP HH2 H 6.851 0.030 1 153 18 18 TRP C C 174.498 0.300 1 154 19 19 GLU N N 121.939 0.300 1 155 19 19 GLU H H 8.821 0.030 1 156 19 19 GLU CA C 56.216 0.300 1 157 19 19 GLU HA H 4.205 0.030 1 158 19 19 GLU CB C 30.457 0.300 1 159 19 19 GLU HB2 H 1.951 0.030 2 160 19 19 GLU HB3 H 2.036 0.030 2 161 19 19 GLU CG C 36.272 0.300 1 162 19 19 GLU HG2 H 2.193 0.030 2 163 19 19 GLU HG3 H 2.253 0.030 2 164 19 19 GLU C C 175.351 0.300 1 165 20 20 SER N N 115.998 0.300 1 166 20 20 SER H H 8.369 0.030 1 167 20 20 SER CA C 56.769 0.300 1 168 20 20 SER HA H 4.968 0.030 1 169 20 20 SER CB C 65.350 0.300 1 170 20 20 SER HB2 H 3.818 0.030 2 171 20 20 SER HB3 H 3.909 0.030 2 172 20 20 SER C C 174.379 0.300 1 173 21 21 ASN N N 124.619 0.300 1 174 21 21 ASN H H 9.054 0.030 1 175 21 21 ASN CA C 52.879 0.300 1 176 21 21 ASN HA H 5.029 0.030 1 177 21 21 ASN CB C 38.621 0.300 1 178 21 21 ASN HB2 H 2.968 0.030 1 179 21 21 ASN HB3 H 2.968 0.030 1 180 21 21 ASN ND2 N 112.335 0.300 1 181 21 21 ASN HD21 H 7.630 0.030 2 182 21 21 ASN HD22 H 6.966 0.030 2 183 21 21 ASN C C 173.552 0.300 1 184 22 22 TYR N N 122.960 0.300 1 185 22 22 TYR H H 9.144 0.030 1 186 22 22 TYR CA C 60.694 0.300 1 187 22 22 TYR HA H 4.160 0.030 1 188 22 22 TYR CB C 42.859 0.300 1 189 22 22 TYR HB2 H 2.773 0.030 2 190 22 22 TYR HB3 H 2.882 0.030 2 191 22 22 TYR HD1 H 6.164 0.030 1 192 22 22 TYR HD2 H 6.164 0.030 1 193 22 22 TYR CE1 C 118.450 0.300 1 194 22 22 TYR HE1 H 6.560 0.030 1 195 22 22 TYR CE2 C 118.450 0.300 1 196 22 22 TYR HE2 H 6.560 0.030 1 197 22 22 TYR C C 174.328 0.300 1 198 23 23 PHE N N 119.489 0.300 1 199 23 23 PHE H H 8.318 0.030 1 200 23 23 PHE CA C 59.322 0.300 1 201 23 23 PHE HA H 4.155 0.030 1 202 23 23 PHE CB C 38.608 0.300 1 203 23 23 PHE HB2 H 2.362 0.030 2 204 23 23 PHE HB3 H 3.211 0.030 2 205 23 23 PHE CD1 C 132.056 0.300 1 206 23 23 PHE HD1 H 7.592 0.030 1 207 23 23 PHE CD2 C 132.056 0.300 1 208 23 23 PHE HD2 H 7.592 0.030 1 209 23 23 PHE CE1 C 131.430 0.300 1 210 23 23 PHE HE1 H 7.028 0.030 1 211 23 23 PHE CE2 C 131.430 0.300 1 212 23 23 PHE HE2 H 7.028 0.030 1 213 23 23 PHE CZ C 130.904 0.300 1 214 23 23 PHE HZ H 7.273 0.030 1 215 23 23 PHE C C 176.159 0.300 1 216 24 24 GLY N N 109.509 0.300 1 217 24 24 GLY H H 8.546 0.030 1 218 24 24 GLY CA C 45.434 0.300 1 219 24 24 GLY HA2 H 4.015 0.030 1 220 24 24 GLY HA3 H 4.015 0.030 1 221 24 24 GLY C C 173.971 0.300 1 222 25 25 MET N N 118.707 0.300 1 223 25 25 MET H H 7.260 0.030 1 224 25 25 MET CA C 51.680 0.300 1 225 25 25 MET HA H 4.896 0.030 1 226 25 25 MET CB C 32.189 0.300 1 227 25 25 MET HB2 H 1.961 0.030 2 228 25 25 MET HB3 H 2.409 0.030 2 229 25 25 MET CG C 30.904 0.300 1 230 25 25 MET HG2 H 1.709 0.030 2 231 25 25 MET HG3 H 1.762 0.030 2 232 25 25 MET CE C 17.656 0.300 1 233 25 25 MET HE H 2.081 0.030 1 234 25 25 MET C C 173.032 0.300 1 235 26 26 PRO CA C 62.843 0.300 1 236 26 26 PRO HA H 4.170 0.030 1 237 26 26 PRO CB C 32.103 0.300 1 238 26 26 PRO HB2 H 1.763 0.030 2 239 26 26 PRO HB3 H 2.279 0.030 2 240 26 26 PRO CG C 28.168 0.300 1 241 26 26 PRO HG2 H 2.111 0.030 2 242 26 26 PRO HG3 H 1.935 0.030 2 243 26 26 PRO CD C 50.073 0.300 1 244 26 26 PRO HD2 H 3.669 0.030 2 245 26 26 PRO HD3 H 3.177 0.030 2 246 26 26 PRO C C 177.143 0.300 1 247 27 27 LEU N N 124.300 0.300 1 248 27 27 LEU H H 8.607 0.030 1 249 27 27 LEU CA C 58.031 0.300 1 250 27 27 LEU HA H 3.749 0.030 1 251 27 27 LEU CB C 42.851 0.300 1 252 27 27 LEU HB2 H 1.740 0.030 2 253 27 27 LEU HB3 H 1.598 0.030 2 254 27 27 LEU CG C 26.443 0.300 1 255 27 27 LEU HG H 1.691 0.030 1 256 27 27 LEU CD1 C 24.536 0.300 2 257 27 27 LEU HD1 H 1.101 0.030 1 258 27 27 LEU CD2 C 25.872 0.300 2 259 27 27 LEU HD2 H 0.952 0.030 1 260 27 27 LEU C C 178.596 0.300 1 261 28 28 GLN N N 111.537 0.300 1 262 28 28 GLN H H 8.697 0.030 1 263 28 28 GLN CA C 58.560 0.300 1 264 28 28 GLN HA H 3.974 0.030 1 265 28 28 GLN CB C 27.964 0.300 1 266 28 28 GLN HB2 H 2.038 0.030 2 267 28 28 GLN HB3 H 2.086 0.030 2 268 28 28 GLN CG C 33.812 0.300 1 269 28 28 GLN HG2 H 2.327 0.030 2 270 28 28 GLN HG3 H 2.378 0.030 2 271 28 28 GLN NE2 N 111.851 0.300 1 272 28 28 GLN HE21 H 7.252 0.030 2 273 28 28 GLN HE22 H 6.826 0.030 2 274 28 28 GLN C C 176.362 0.300 1 275 29 29 ASP N N 117.964 0.300 1 276 29 29 ASP H H 7.721 0.030 1 277 29 29 ASP CA C 55.657 0.300 1 278 29 29 ASP HA H 4.656 0.030 1 279 29 29 ASP CB C 40.355 0.300 1 280 29 29 ASP HB2 H 2.722 0.030 1 281 29 29 ASP HB3 H 2.722 0.030 1 282 29 29 ASP C C 177.234 0.300 1 283 30 30 LEU N N 117.483 0.300 1 284 30 30 LEU H H 7.801 0.030 1 285 30 30 LEU CA C 54.173 0.300 1 286 30 30 LEU HA H 4.468 0.030 1 287 30 30 LEU CB C 43.625 0.300 1 288 30 30 LEU HB2 H 1.804 0.030 2 289 30 30 LEU HB3 H 1.546 0.030 2 290 30 30 LEU CG C 25.661 0.300 1 291 30 30 LEU HG H 1.599 0.030 1 292 30 30 LEU CD1 C 25.668 0.300 2 293 30 30 LEU HD1 H 0.615 0.030 1 294 30 30 LEU CD2 C 20.582 0.300 2 295 30 30 LEU HD2 H 0.153 0.030 1 296 30 30 LEU C C 176.543 0.300 1 297 31 31 VAL N N 110.305 0.300 1 298 31 31 VAL H H 7.045 0.030 1 299 31 31 VAL CA C 59.134 0.300 1 300 31 31 VAL HA H 4.949 0.030 1 301 31 31 VAL CB C 35.588 0.300 1 302 31 31 VAL HB H 2.409 0.030 1 303 31 31 VAL CG1 C 21.141 0.300 2 304 31 31 VAL HG1 H 0.712 0.030 1 305 31 31 VAL CG2 C 18.030 0.300 2 306 31 31 VAL HG2 H 0.873 0.030 1 307 31 31 VAL C C 174.175 0.300 1 308 32 32 THR N N 110.289 0.300 1 309 32 32 THR H H 7.833 0.030 1 310 32 32 THR CA C 59.424 0.300 1 311 32 32 THR HA H 4.775 0.030 1 312 32 32 THR CB C 73.207 0.300 1 313 32 32 THR HB H 4.632 0.030 1 314 32 32 THR CG2 C 22.083 0.300 1 315 32 32 THR HG2 H 1.222 0.030 1 316 32 32 THR C C 175.505 0.300 1 317 33 33 ALA N N 122.336 0.300 1 318 33 33 ALA H H 8.792 0.030 1 319 33 33 ALA CA C 55.051 0.300 1 320 33 33 ALA HA H 4.071 0.030 1 321 33 33 ALA CB C 18.135 0.300 1 322 33 33 ALA HB H 1.449 0.030 1 323 33 33 ALA C C 179.500 0.300 1 324 34 34 GLU N N 113.924 0.300 1 325 34 34 GLU H H 8.032 0.030 1 326 34 34 GLU CA C 58.033 0.300 1 327 34 34 GLU HA H 4.148 0.030 1 328 34 34 GLU CB C 30.312 0.300 1 329 34 34 GLU HB2 H 2.040 0.030 2 330 34 34 GLU HB3 H 1.992 0.030 2 331 34 34 GLU CG C 36.974 0.300 1 332 34 34 GLU HG2 H 2.295 0.030 2 333 34 34 GLU HG3 H 2.369 0.030 2 334 34 34 GLU C C 176.460 0.300 1 335 35 35 LYS N N 119.854 0.300 1 336 35 35 LYS H H 7.475 0.030 1 337 35 35 LYS CA C 52.701 0.300 1 338 35 35 LYS HA H 4.846 0.030 1 339 35 35 LYS CB C 31.760 0.300 1 340 35 35 LYS HB2 H 1.842 0.030 1 341 35 35 LYS HB3 H 1.842 0.030 1 342 35 35 LYS CG C 23.803 0.300 1 343 35 35 LYS HG2 H 1.291 0.030 2 344 35 35 LYS HG3 H 1.395 0.030 2 345 35 35 LYS CD C 28.653 0.300 1 346 35 35 LYS HD2 H 1.826 0.030 2 347 35 35 LYS HD3 H 1.754 0.030 2 348 35 35 LYS CE C 42.104 0.300 1 349 35 35 LYS HE2 H 2.969 0.030 2 350 35 35 LYS HE3 H 3.093 0.030 2 351 35 35 LYS C C 174.343 0.300 1 352 36 36 PRO CA C 64.254 0.300 1 353 36 36 PRO HA H 4.592 0.030 1 354 36 36 PRO CB C 33.761 0.300 1 355 36 36 PRO HB2 H 2.057 0.030 2 356 36 36 PRO HB3 H 2.328 0.030 2 357 36 36 PRO CG C 26.840 0.300 1 358 36 36 PRO HG2 H 1.994 0.030 2 359 36 36 PRO HG3 H 1.787 0.030 2 360 36 36 PRO CD C 50.792 0.300 1 361 36 36 PRO HD2 H 3.716 0.030 2 362 36 36 PRO HD3 H 3.308 0.030 2 363 36 36 PRO C C 174.257 0.300 1 364 37 37 ILE N N 117.749 0.300 1 365 37 37 ILE H H 7.936 0.030 1 366 37 37 ILE CA C 54.278 0.300 1 367 37 37 ILE HA H 4.535 0.030 1 368 37 37 ILE CB C 37.234 0.300 1 369 37 37 ILE HB H 1.778 0.030 1 370 37 37 ILE CG1 C 26.450 0.300 1 371 37 37 ILE HG12 H 0.742 0.030 2 372 37 37 ILE HG13 H 1.361 0.030 2 373 37 37 ILE CG2 C 15.929 0.300 1 374 37 37 ILE HG2 H 0.144 0.030 1 375 37 37 ILE CD1 C 9.949 0.300 1 376 37 37 ILE HD1 H 0.471 0.030 1 377 37 37 ILE C C 174.859 0.300 1 378 38 38 PRO CA C 62.978 0.300 1 379 38 38 PRO HA H 4.285 0.030 1 380 38 38 PRO CB C 32.083 0.300 1 381 38 38 PRO HB2 H 1.470 0.030 2 382 38 38 PRO HB3 H 2.482 0.030 2 383 38 38 PRO CG C 28.177 0.300 1 384 38 38 PRO HG2 H 1.921 0.030 1 385 38 38 PRO HG3 H 1.921 0.030 1 386 38 38 PRO CD C 51.259 0.300 1 387 38 38 PRO HD2 H 3.226 0.030 2 388 38 38 PRO HD3 H 3.890 0.030 2 389 38 38 PRO C C 176.980 0.300 1 390 39 39 LEU N N 128.704 0.300 1 391 39 39 LEU H H 9.000 0.030 1 392 39 39 LEU CA C 57.839 0.300 1 393 39 39 LEU HA H 4.299 0.030 1 394 39 39 LEU CB C 42.405 0.300 1 395 39 39 LEU HB2 H 2.080 0.030 2 396 39 39 LEU HB3 H 1.742 0.030 2 397 39 39 LEU CG C 27.500 0.300 1 398 39 39 LEU HG H 1.703 0.030 1 399 39 39 LEU CD1 C 23.109 0.300 2 400 39 39 LEU HD1 H 1.153 0.030 1 401 39 39 LEU CD2 C 26.099 0.300 2 402 39 39 LEU HD2 H 1.172 0.030 1 403 39 39 LEU C C 177.668 0.300 1 404 40 40 PHE N N 113.729 0.300 1 405 40 40 PHE H H 7.636 0.030 1 406 40 40 PHE CA C 62.193 0.300 1 407 40 40 PHE HA H 3.171 0.030 1 408 40 40 PHE CB C 41.159 0.300 1 409 40 40 PHE HB2 H 1.966 0.030 2 410 40 40 PHE HB3 H 1.751 0.030 2 411 40 40 PHE CD1 C 131.277 0.300 1 412 40 40 PHE HD1 H 5.944 0.030 1 413 40 40 PHE CD2 C 131.277 0.300 1 414 40 40 PHE HD2 H 5.944 0.030 1 415 40 40 PHE CE1 C 130.980 0.300 1 416 40 40 PHE HE1 H 7.077 0.030 1 417 40 40 PHE CE2 C 130.980 0.300 1 418 40 40 PHE HE2 H 7.077 0.030 1 419 40 40 PHE CZ C 129.654 0.300 1 420 40 40 PHE HZ H 6.906 0.030 1 421 40 40 PHE C C 176.332 0.300 1 422 41 41 VAL N N 114.054 0.300 1 423 41 41 VAL H H 6.290 0.030 1 424 41 41 VAL CA C 65.443 0.300 1 425 41 41 VAL HA H 3.050 0.030 1 426 41 41 VAL CB C 31.321 0.300 1 427 41 41 VAL HB H 1.980 0.030 1 428 41 41 VAL CG1 C 20.993 0.300 2 429 41 41 VAL HG1 H 0.962 0.030 1 430 41 41 VAL CG2 C 24.472 0.300 2 431 41 41 VAL HG2 H 0.315 0.030 1 432 41 41 VAL C C 176.125 0.300 1 433 42 42 GLU N N 118.271 0.300 1 434 42 42 GLU H H 7.399 0.030 1 435 42 42 GLU CA C 59.071 0.300 1 436 42 42 GLU HA H 4.275 0.030 1 437 42 42 GLU CB C 30.714 0.300 1 438 42 42 GLU HB2 H 1.916 0.030 1 439 42 42 GLU HB3 H 1.916 0.030 1 440 42 42 GLU CG C 36.996 0.300 1 441 42 42 GLU HG2 H 2.051 0.030 2 442 42 42 GLU HG3 H 1.765 0.030 2 443 42 42 GLU C C 178.046 0.300 1 444 43 43 LYS N N 115.348 0.300 1 445 43 43 LYS H H 8.323 0.030 1 446 43 43 LYS CA C 58.892 0.300 1 447 43 43 LYS HA H 3.987 0.030 1 448 43 43 LYS CB C 32.288 0.300 1 449 43 43 LYS HB2 H 1.718 0.030 2 450 43 43 LYS HB3 H 1.513 0.030 2 451 43 43 LYS CG C 25.182 0.300 1 452 43 43 LYS HG2 H 1.668 0.030 2 453 43 43 LYS HG3 H 1.577 0.030 2 454 43 43 LYS CD C 29.364 0.300 1 455 43 43 LYS HD2 H 1.893 0.030 2 456 43 43 LYS HD3 H 1.612 0.030 2 457 43 43 LYS CE C 42.105 0.300 1 458 43 43 LYS HE2 H 3.468 0.030 2 459 43 43 LYS HE3 H 3.096 0.030 2 460 43 43 LYS C C 180.517 0.300 1 461 44 44 CYS N N 115.444 0.300 1 462 44 44 CYS H H 7.335 0.030 1 463 44 44 CYS CA C 64.096 0.300 1 464 44 44 CYS HA H 3.669 0.030 1 465 44 44 CYS CB C 28.672 0.300 1 466 44 44 CYS HB2 H 2.709 0.030 2 467 44 44 CYS HB3 H 2.185 0.030 2 468 44 44 CYS C C 176.159 0.300 1 469 45 45 VAL N N 119.664 0.300 1 470 45 45 VAL H H 8.336 0.030 1 471 45 45 VAL CA C 67.908 0.300 1 472 45 45 VAL HA H 2.994 0.030 1 473 45 45 VAL CB C 30.369 0.300 1 474 45 45 VAL HB H 2.297 0.030 1 475 45 45 VAL CG1 C 20.115 0.300 2 476 45 45 VAL HG1 H 0.273 0.030 1 477 45 45 VAL CG2 C 24.043 0.300 2 478 45 45 VAL HG2 H 0.621 0.030 1 479 45 45 VAL C C 177.638 0.300 1 480 46 46 GLU N N 117.757 0.300 1 481 46 46 GLU H H 8.680 0.030 1 482 46 46 GLU CA C 59.951 0.300 1 483 46 46 GLU HA H 3.925 0.030 1 484 46 46 GLU CB C 29.117 0.300 1 485 46 46 GLU HB2 H 2.035 0.030 1 486 46 46 GLU HB3 H 2.035 0.030 1 487 46 46 GLU CG C 37.022 0.300 1 488 46 46 GLU HG2 H 2.246 0.030 2 489 46 46 GLU HG3 H 2.655 0.030 2 490 46 46 GLU C C 178.962 0.300 1 491 47 47 PHE N N 118.076 0.300 1 492 47 47 PHE H H 7.431 0.030 1 493 47 47 PHE CA C 61.658 0.300 1 494 47 47 PHE HA H 4.322 0.030 1 495 47 47 PHE CB C 40.006 0.300 1 496 47 47 PHE HB2 H 3.310 0.030 2 497 47 47 PHE HB3 H 3.128 0.030 2 498 47 47 PHE CD1 C 131.564 0.300 1 499 47 47 PHE HD1 H 7.096 0.030 1 500 47 47 PHE CD2 C 131.564 0.300 1 501 47 47 PHE HD2 H 7.096 0.030 1 502 47 47 PHE CE1 C 131.271 0.300 1 503 47 47 PHE HE1 H 7.010 0.030 1 504 47 47 PHE CE2 C 131.271 0.300 1 505 47 47 PHE HE2 H 7.010 0.030 1 506 47 47 PHE C C 178.435 0.300 1 507 48 48 ILE N N 121.675 0.300 1 508 48 48 ILE H H 8.522 0.030 1 509 48 48 ILE CA C 65.880 0.300 1 510 48 48 ILE HA H 3.318 0.030 1 511 48 48 ILE CB C 38.107 0.300 1 512 48 48 ILE HB H 1.966 0.030 1 513 48 48 ILE CG1 C 30.108 0.300 1 514 48 48 ILE HG12 H 2.146 0.030 2 515 48 48 ILE HG13 H 1.044 0.030 2 516 48 48 ILE CG2 C 18.735 0.300 1 517 48 48 ILE HG2 H 0.983 0.030 1 518 48 48 ILE CD1 C 13.365 0.300 1 519 48 48 ILE HD1 H 0.905 0.030 1 520 48 48 ILE C C 178.615 0.300 1 521 49 49 GLU N N 118.031 0.300 1 522 49 49 GLU H H 9.068 0.030 1 523 49 49 GLU CA C 60.335 0.300 1 524 49 49 GLU HA H 3.926 0.030 1 525 49 49 GLU CB C 28.346 0.300 1 526 49 49 GLU HB2 H 2.081 0.030 1 527 49 49 GLU HB3 H 2.081 0.030 1 528 49 49 GLU CG C 38.841 0.300 1 529 49 49 GLU HG2 H 2.995 0.030 2 530 49 49 GLU HG3 H 2.117 0.030 2 531 49 49 GLU C C 178.829 0.300 1 532 50 50 ASP N N 118.803 0.300 1 533 50 50 ASP H H 8.142 0.030 1 534 50 50 ASP CA C 56.988 0.300 1 535 50 50 ASP HA H 4.544 0.030 1 536 50 50 ASP CB C 41.543 0.300 1 537 50 50 ASP HB2 H 2.821 0.030 2 538 50 50 ASP HB3 H 2.576 0.030 2 539 50 50 ASP C C 178.276 0.300 1 540 51 51 THR N N 106.354 0.300 1 541 51 51 THR H H 7.479 0.030 1 542 51 51 THR CA C 62.732 0.300 1 543 51 51 THR HA H 4.485 0.030 1 544 51 51 THR CB C 71.458 0.300 1 545 51 51 THR HB H 3.786 0.030 1 546 51 51 THR CG2 C 20.869 0.300 1 547 51 51 THR HG2 H 0.885 0.030 1 548 51 51 THR C C 176.430 0.300 1 549 52 52 GLY H H 8.598 0.030 1 550 52 52 GLY CA C 44.034 0.300 1 551 52 52 GLY HA2 H 3.176 0.030 2 552 52 52 GLY HA3 H 3.444 0.030 2 553 53 53 LEU H H 8.602 0.030 1 554 53 53 LEU CA C 57.826 0.300 1 555 53 53 LEU HA H 3.970 0.030 1 556 53 53 LEU CB C 41.996 0.300 1 557 53 53 LEU HB2 H 2.063 0.030 2 558 53 53 LEU HB3 H 1.537 0.030 2 559 53 53 LEU CD1 C 25.210 0.300 2 560 53 53 LEU HD1 H 0.839 0.030 1 561 53 53 LEU CD2 C 25.837 0.300 2 562 53 53 LEU HD2 H 0.916 0.030 1 563 53 53 LEU C C 176.225 0.300 1 564 54 54 CYS N N 110.899 0.300 1 565 54 54 CYS H H 8.122 0.030 1 566 54 54 CYS CA C 58.655 0.300 1 567 54 54 CYS HA H 4.398 0.030 1 568 54 54 CYS CB C 27.372 0.300 1 569 54 54 CYS HB2 H 2.883 0.030 2 570 54 54 CYS HB3 H 3.095 0.030 2 571 54 54 CYS C C 173.582 0.300 1 572 55 55 THR N N 118.510 0.300 1 573 55 55 THR H H 7.482 0.030 1 574 55 55 THR CA C 64.119 0.300 1 575 55 55 THR HA H 3.818 0.030 1 576 55 55 THR CB C 69.767 0.300 1 577 55 55 THR HB H 4.077 0.030 1 578 55 55 THR CG2 C 20.614 0.300 1 579 55 55 THR HG2 H 1.142 0.030 1 580 55 55 THR C C 173.363 0.300 1 581 56 56 GLU N N 128.180 0.300 1 582 56 56 GLU H H 8.696 0.030 1 583 56 56 GLU CA C 58.121 0.300 1 584 56 56 GLU HA H 3.990 0.030 1 585 56 56 GLU CB C 29.693 0.300 1 586 56 56 GLU HB2 H 2.062 0.030 2 587 56 56 GLU HB3 H 1.885 0.030 2 588 56 56 GLU CG C 37.016 0.300 1 589 56 56 GLU HG2 H 2.189 0.030 2 590 56 56 GLU HG3 H 2.350 0.030 2 591 56 56 GLU C C 178.391 0.300 1 592 57 57 GLY N N 112.239 0.300 1 593 57 57 GLY H H 9.210 0.030 1 594 57 57 GLY CA C 46.647 0.300 1 595 57 57 GLY HA2 H 3.960 0.030 2 596 57 57 GLY HA3 H 4.037 0.030 2 597 57 57 GLY C C 174.182 0.300 1 598 58 58 LEU N N 122.778 0.300 1 599 58 58 LEU H H 6.920 0.030 1 600 58 58 LEU CA C 57.467 0.300 1 601 58 58 LEU HA H 3.698 0.030 1 602 58 58 LEU CB C 42.448 0.300 1 603 58 58 LEU HB2 H 1.575 0.030 2 604 58 58 LEU HB3 H 1.489 0.030 2 605 58 58 LEU CG C 25.891 0.300 1 606 58 58 LEU HG H 1.302 0.030 1 607 58 58 LEU CD1 C 22.886 0.300 2 608 58 58 LEU HD1 H 0.539 0.030 1 609 58 58 LEU CD2 C 26.412 0.300 2 610 58 58 LEU HD2 H 0.819 0.030 1 611 58 58 LEU C C 175.314 0.300 1 612 59 59 TYR N N 113.128 0.300 1 613 59 59 TYR H H 8.571 0.030 1 614 59 59 TYR CA C 65.160 0.300 1 615 59 59 TYR HA H 3.813 0.030 1 616 59 59 TYR CB C 36.119 0.300 1 617 59 59 TYR HB2 H 4.083 0.030 2 618 59 59 TYR HB3 H 2.925 0.030 2 619 59 59 TYR CD1 C 133.006 0.300 1 620 59 59 TYR HD1 H 6.945 0.030 1 621 59 59 TYR CD2 C 133.006 0.300 1 622 59 59 TYR HD2 H 6.945 0.030 1 623 59 59 TYR CE1 C 117.897 0.300 1 624 59 59 TYR HE1 H 7.020 0.030 1 625 59 59 TYR CE2 C 117.897 0.300 1 626 59 59 TYR HE2 H 7.020 0.030 1 627 59 59 TYR C C 175.725 0.300 1 628 60 60 ARG N N 122.527 0.300 1 629 60 60 ARG H H 8.839 0.030 1 630 60 60 ARG CA C 57.671 0.300 1 631 60 60 ARG HA H 4.502 0.030 1 632 60 60 ARG CB C 31.382 0.300 1 633 60 60 ARG HB2 H 1.949 0.030 2 634 60 60 ARG HB3 H 1.741 0.030 2 635 60 60 ARG CG C 26.910 0.300 1 636 60 60 ARG HG2 H 1.584 0.030 2 637 60 60 ARG HG3 H 1.638 0.030 2 638 60 60 ARG CD C 44.037 0.300 1 639 60 60 ARG HD2 H 3.123 0.030 2 640 60 60 ARG HD3 H 3.194 0.030 2 641 60 60 ARG C C 177.381 0.300 1 642 61 61 VAL N N 120.607 0.300 1 643 61 61 VAL H H 8.101 0.030 1 644 61 61 VAL CA C 62.696 0.300 1 645 61 61 VAL HA H 4.007 0.030 1 646 61 61 VAL CB C 32.523 0.300 1 647 61 61 VAL HB H 1.944 0.030 1 648 61 61 VAL CG1 C 21.397 0.300 2 649 61 61 VAL HG1 H 0.933 0.030 1 650 61 61 VAL CG2 C 21.416 0.300 2 651 61 61 VAL HG2 H 1.027 0.030 1 652 61 61 VAL C C 176.430 0.300 1 653 62 62 SER N N 122.651 0.300 1 654 62 62 SER H H 8.649 0.030 1 655 62 62 SER CA C 58.543 0.300 1 656 62 62 SER HA H 4.490 0.030 1 657 62 62 SER CB C 64.289 0.300 1 658 62 62 SER HB2 H 3.934 0.030 2 659 62 62 SER HB3 H 3.867 0.030 2 660 62 62 SER C C 175.164 0.300 1 661 63 63 GLY N N 110.295 0.300 1 662 63 63 GLY H H 8.289 0.030 1 663 63 63 GLY CA C 44.253 0.300 1 664 63 63 GLY HA2 H 3.517 0.030 2 665 63 63 GLY HA3 H 4.221 0.030 2 666 63 63 GLY C C 172.970 0.300 1 667 64 64 ASN N N 119.791 0.300 1 668 64 64 ASN H H 8.694 0.030 1 669 64 64 ASN CA C 53.545 0.300 1 670 64 64 ASN HA H 4.618 0.030 1 671 64 64 ASN CB C 39.032 0.300 1 672 64 64 ASN HB2 H 2.858 0.030 2 673 64 64 ASN HB3 H 2.901 0.030 2 674 64 64 ASN ND2 N 113.596 0.300 1 675 64 64 ASN HD21 H 7.673 0.030 2 676 64 64 ASN HD22 H 7.026 0.030 2 677 64 64 ASN C C 176.624 0.300 1 678 65 65 LYS CA C 59.280 0.300 1 679 65 65 LYS HA H 3.883 0.030 1 680 65 65 LYS CB C 32.494 0.300 1 681 65 65 LYS HB2 H 1.885 0.030 1 682 65 65 LYS HB3 H 1.885 0.030 1 683 65 65 LYS CG C 24.846 0.300 1 684 65 65 LYS HG2 H 1.477 0.030 1 685 65 65 LYS HG3 H 1.477 0.030 1 686 65 65 LYS CD C 28.649 0.300 1 687 65 65 LYS HD2 H 1.734 0.030 2 688 65 65 LYS HD3 H 1.616 0.030 2 689 65 65 LYS CE C 42.297 0.300 1 690 65 65 LYS HE2 H 3.024 0.030 1 691 65 65 LYS HE3 H 3.024 0.030 1 692 65 65 LYS C C 177.849 0.300 1 693 66 66 THR N N 114.531 0.300 1 694 66 66 THR H H 8.146 0.030 1 695 66 66 THR CA C 66.040 0.300 1 696 66 66 THR HA H 3.999 0.030 1 697 66 66 THR CB C 68.470 0.300 1 698 66 66 THR HB H 4.179 0.030 1 699 66 66 THR CG2 C 22.207 0.300 1 700 66 66 THR HG2 H 1.244 0.030 1 701 66 66 THR C C 176.470 0.300 1 702 67 67 ASP N N 121.197 0.300 1 703 67 67 ASP H H 7.707 0.030 1 704 67 67 ASP CA C 57.328 0.300 1 705 67 67 ASP HA H 4.433 0.030 1 706 67 67 ASP CB C 40.690 0.300 1 707 67 67 ASP HB2 H 2.776 0.030 2 708 67 67 ASP HB3 H 2.636 0.030 2 709 67 67 ASP C C 178.393 0.300 1 710 68 68 GLN N N 119.348 0.300 1 711 68 68 GLN H H 7.852 0.030 1 712 68 68 GLN CA C 59.493 0.300 1 713 68 68 GLN HA H 3.957 0.030 1 714 68 68 GLN CB C 29.364 0.300 1 715 68 68 GLN HB2 H 2.217 0.030 2 716 68 68 GLN HB3 H 2.095 0.030 2 717 68 68 GLN CG C 33.962 0.300 1 718 68 68 GLN HG2 H 2.455 0.030 2 719 68 68 GLN HG3 H 2.702 0.030 2 720 68 68 GLN NE2 N 111.065 0.300 1 721 68 68 GLN HE21 H 7.653 0.030 2 722 68 68 GLN HE22 H 6.816 0.030 2 723 68 68 GLN C C 177.833 0.300 1 724 69 69 ASP N N 119.711 0.300 1 725 69 69 ASP H H 8.437 0.030 1 726 69 69 ASP CA C 57.188 0.300 1 727 69 69 ASP HA H 4.350 0.030 1 728 69 69 ASP CB C 40.567 0.300 1 729 69 69 ASP HB2 H 2.834 0.030 2 730 69 69 ASP HB3 H 2.538 0.030 2 731 69 69 ASP C C 178.341 0.300 1 732 70 70 ASN N N 117.286 0.300 1 733 70 70 ASN H H 8.241 0.030 1 734 70 70 ASN CA C 55.987 0.300 1 735 70 70 ASN HA H 4.403 0.030 1 736 70 70 ASN CB C 37.987 0.300 1 737 70 70 ASN HB2 H 2.974 0.030 2 738 70 70 ASN HB3 H 2.780 0.030 2 739 70 70 ASN ND2 N 113.097 0.300 1 740 70 70 ASN HD21 H 6.974 0.030 2 741 70 70 ASN HD22 H 7.889 0.030 2 742 70 70 ASN C C 177.702 0.300 1 743 71 71 ILE N N 120.026 0.300 1 744 71 71 ILE H H 7.807 0.030 1 745 71 71 ILE CA C 65.803 0.300 1 746 71 71 ILE HA H 3.499 0.030 1 747 71 71 ILE CB C 37.966 0.300 1 748 71 71 ILE HB H 2.026 0.030 1 749 71 71 ILE CG1 C 29.228 0.300 1 750 71 71 ILE HG12 H 0.992 0.030 2 751 71 71 ILE HG13 H 1.857 0.030 2 752 71 71 ILE CG2 C 17.047 0.300 1 753 71 71 ILE HG2 H 0.895 0.030 1 754 71 71 ILE CD1 C 14.691 0.300 1 755 71 71 ILE HD1 H 0.748 0.030 1 756 71 71 ILE C C 177.346 0.300 1 757 72 72 GLN N N 115.807 0.300 1 758 72 72 GLN H H 7.192 0.030 1 759 72 72 GLN CA C 60.285 0.300 1 760 72 72 GLN HA H 3.720 0.030 1 761 72 72 GLN CB C 29.281 0.300 1 762 72 72 GLN HB2 H 1.301 0.030 2 763 72 72 GLN HB3 H 2.197 0.030 2 764 72 72 GLN CG C 35.323 0.300 1 765 72 72 GLN HG2 H 1.418 0.030 2 766 72 72 GLN HG3 H 2.344 0.030 2 767 72 72 GLN NE2 N 106.468 0.300 1 768 72 72 GLN HE21 H 6.647 0.030 2 769 72 72 GLN HE22 H 5.418 0.030 2 770 72 72 GLN C C 177.497 0.300 1 771 73 73 LYS N N 119.457 0.300 1 772 73 73 LYS H H 8.568 0.030 1 773 73 73 LYS CA C 59.942 0.300 1 774 73 73 LYS HA H 3.482 0.030 1 775 73 73 LYS CB C 32.564 0.300 1 776 73 73 LYS HB2 H 1.477 0.030 2 777 73 73 LYS HB3 H 1.301 0.030 2 778 73 73 LYS CG C 24.773 0.300 1 779 73 73 LYS HG2 H 0.523 0.030 2 780 73 73 LYS HG3 H 0.245 0.030 2 781 73 73 LYS CD C 29.099 0.300 1 782 73 73 LYS HD2 H 1.087 0.030 1 783 73 73 LYS HD3 H 1.087 0.030 1 784 73 73 LYS CE C 41.767 0.300 1 785 73 73 LYS HE2 H 2.217 0.030 2 786 73 73 LYS HE3 H 2.301 0.030 2 787 73 73 LYS C C 179.694 0.300 1 788 74 74 GLN N N 117.605 0.300 1 789 74 74 GLN H H 8.493 0.030 1 790 74 74 GLN CA C 58.968 0.300 1 791 74 74 GLN HA H 3.952 0.030 1 792 74 74 GLN CB C 27.941 0.300 1 793 74 74 GLN HB2 H 2.094 0.030 1 794 74 74 GLN HB3 H 2.094 0.030 1 795 74 74 GLN CG C 34.378 0.300 1 796 74 74 GLN HG2 H 2.446 0.030 1 797 74 74 GLN HG3 H 2.446 0.030 1 798 74 74 GLN NE2 N 111.662 0.300 1 799 74 74 GLN HE21 H 6.789 0.030 2 800 74 74 GLN HE22 H 7.327 0.030 2 801 74 74 GLN C C 178.789 0.300 1 802 75 75 PHE N N 120.124 0.300 1 803 75 75 PHE H H 8.136 0.030 1 804 75 75 PHE CA C 60.673 0.300 1 805 75 75 PHE HA H 4.314 0.030 1 806 75 75 PHE CB C 39.195 0.300 1 807 75 75 PHE HB2 H 3.204 0.030 2 808 75 75 PHE HB3 H 3.347 0.030 2 809 75 75 PHE CD1 C 128.982 0.300 1 810 75 75 PHE HD1 H 5.856 0.030 1 811 75 75 PHE CD2 C 128.982 0.300 1 812 75 75 PHE HD2 H 5.856 0.030 1 813 75 75 PHE CE1 C 131.325 0.300 1 814 75 75 PHE HE1 H 7.033 0.030 1 815 75 75 PHE CE2 C 131.325 0.300 1 816 75 75 PHE HE2 H 7.033 0.030 1 817 75 75 PHE CZ C 128.002 0.300 1 818 75 75 PHE HZ H 6.276 0.030 1 819 75 75 PHE C C 176.193 0.300 1 820 76 76 ASP N N 118.687 0.300 1 821 76 76 ASP H H 8.519 0.030 1 822 76 76 ASP CA C 57.115 0.300 1 823 76 76 ASP HA H 4.398 0.030 1 824 76 76 ASP CB C 42.471 0.300 1 825 76 76 ASP HB2 H 3.183 0.030 2 826 76 76 ASP HB3 H 2.991 0.030 2 827 76 76 ASP C C 178.293 0.300 1 828 77 77 GLN N N 114.601 0.300 1 829 77 77 GLN H H 7.378 0.030 1 830 77 77 GLN CA C 57.186 0.300 1 831 77 77 GLN HA H 4.071 0.030 1 832 77 77 GLN CB C 29.383 0.300 1 833 77 77 GLN HB2 H 2.050 0.030 2 834 77 77 GLN HB3 H 2.105 0.030 2 835 77 77 GLN CG C 34.112 0.300 1 836 77 77 GLN HG2 H 2.402 0.030 2 837 77 77 GLN HG3 H 2.457 0.030 2 838 77 77 GLN NE2 N 112.035 0.300 1 839 77 77 GLN HE21 H 7.446 0.030 2 840 77 77 GLN HE22 H 6.828 0.030 2 841 77 77 GLN C C 175.890 0.300 1 842 78 78 ASP N N 119.325 0.300 1 843 78 78 ASP H H 7.697 0.030 1 844 78 78 ASP CA C 53.634 0.300 1 845 78 78 ASP HA H 4.372 0.030 1 846 78 78 ASP CB C 41.345 0.300 1 847 78 78 ASP HB2 H 2.722 0.030 2 848 78 78 ASP HB3 H 2.502 0.030 2 849 78 78 ASP C C 174.469 0.300 1 850 79 79 HIS N N 121.852 0.300 1 851 79 79 HIS H H 8.714 0.030 1 852 79 79 HIS CA C 54.909 0.300 1 853 79 79 HIS HA H 3.559 0.030 1 854 79 79 HIS CB C 28.417 0.300 1 855 79 79 HIS HB2 H 2.957 0.030 2 856 79 79 HIS HB3 H 2.814 0.030 2 857 79 79 HIS CD2 C 119.617 0.300 1 858 79 79 HIS HD2 H 7.089 0.030 1 859 79 79 HIS CE1 C 135.929 0.300 1 860 79 79 HIS HE1 H 8.406 0.030 1 861 79 79 HIS C C 174.965 0.300 1 862 80 80 ASN N N 113.511 0.300 1 863 80 80 ASN H H 8.259 0.030 1 864 80 80 ASN CA C 52.472 0.300 1 865 80 80 ASN HA H 4.790 0.030 1 866 80 80 ASN CB C 38.336 0.300 1 867 80 80 ASN HB2 H 2.751 0.030 2 868 80 80 ASN HB3 H 2.953 0.030 2 869 80 80 ASN ND2 N 114.514 0.300 1 870 80 80 ASN HD21 H 7.818 0.030 2 871 80 80 ASN HD22 H 6.922 0.030 2 872 80 80 ASN C C 175.441 0.300 1 873 81 81 ILE N N 117.144 0.300 1 874 81 81 ILE H H 7.385 0.030 1 875 81 81 ILE CA C 62.150 0.300 1 876 81 81 ILE HA H 3.950 0.030 1 877 81 81 ILE CB C 39.569 0.300 1 878 81 81 ILE HB H 2.082 0.030 1 879 81 81 ILE CG1 C 26.720 0.300 1 880 81 81 ILE HG12 H 1.257 0.030 2 881 81 81 ILE HG13 H 1.554 0.030 2 882 81 81 ILE CG2 C 18.109 0.300 1 883 81 81 ILE HG2 H 1.153 0.030 1 884 81 81 ILE CD1 C 15.092 0.300 1 885 81 81 ILE HD1 H 0.956 0.030 1 886 81 81 ILE C C 173.380 0.300 1 887 82 82 ASN N N 122.915 0.300 1 888 82 82 ASN H H 8.572 0.030 1 889 82 82 ASN CA C 51.036 0.300 1 890 82 82 ASN HA H 4.951 0.030 1 891 82 82 ASN CB C 39.056 0.300 1 892 82 82 ASN HB2 H 3.005 0.030 2 893 82 82 ASN HB3 H 2.695 0.030 2 894 82 82 ASN ND2 N 112.596 0.300 1 895 82 82 ASN HD21 H 7.684 0.030 2 896 82 82 ASN HD22 H 7.011 0.030 2 897 82 82 ASN C C 175.972 0.300 1 898 83 83 LEU N N 125.703 0.300 1 899 83 83 LEU H H 9.131 0.030 1 900 83 83 LEU CA C 58.122 0.300 1 901 83 83 LEU HA H 3.856 0.030 1 902 83 83 LEU CB C 41.720 0.300 1 903 83 83 LEU HB2 H 1.406 0.030 2 904 83 83 LEU HB3 H 0.493 0.030 2 905 83 83 LEU CG C 27.557 0.300 1 906 83 83 LEU HG H 1.531 0.030 1 907 83 83 LEU CD1 C 26.064 0.300 2 908 83 83 LEU HD1 H 0.577 0.030 1 909 83 83 LEU CD2 C 23.517 0.300 2 910 83 83 LEU HD2 H 0.648 0.030 1 911 83 83 LEU C C 178.838 0.300 1 912 84 84 VAL N N 117.256 0.300 1 913 84 84 VAL H H 8.055 0.030 1 914 84 84 VAL CA C 65.952 0.300 1 915 84 84 VAL HA H 3.959 0.030 1 916 84 84 VAL CB C 31.676 0.300 1 917 84 84 VAL HB H 2.309 0.030 1 918 84 84 VAL CG1 C 21.004 0.300 2 919 84 84 VAL HG1 H 1.030 0.030 1 920 84 84 VAL CG2 C 22.643 0.300 2 921 84 84 VAL HG2 H 1.246 0.030 1 922 84 84 VAL C C 178.902 0.300 1 923 85 85 SER N N 115.700 0.300 1 924 85 85 SER H H 7.739 0.030 1 925 85 85 SER CA C 59.999 0.300 1 926 85 85 SER HA H 4.396 0.030 1 927 85 85 SER CB C 63.429 0.300 1 928 85 85 SER HB2 H 3.939 0.030 2 929 85 85 SER HB3 H 4.005 0.030 2 930 85 85 SER C C 175.380 0.300 1 931 86 86 MET N N 118.771 0.300 1 932 86 86 MET H H 7.494 0.030 1 933 86 86 MET CA C 56.889 0.300 1 934 86 86 MET HA H 4.195 0.030 1 935 86 86 MET CB C 35.231 0.300 1 936 86 86 MET HB2 H 1.953 0.030 2 937 86 86 MET HB3 H 2.218 0.030 2 938 86 86 MET CG C 32.197 0.300 1 939 86 86 MET HG2 H 2.526 0.030 2 940 86 86 MET HG3 H 2.604 0.030 2 941 86 86 MET CE C 16.240 0.300 1 942 86 86 MET HE H 1.910 0.030 1 943 86 86 MET C C 175.397 0.300 1 944 87 87 GLU N N 115.923 0.300 1 945 87 87 GLU H H 7.993 0.030 1 946 87 87 GLU CA C 57.188 0.300 1 947 87 87 GLU HA H 4.132 0.030 1 948 87 87 GLU CB C 27.016 0.300 1 949 87 87 GLU HB2 H 2.150 0.030 1 950 87 87 GLU HB3 H 2.150 0.030 1 951 87 87 GLU CG C 36.695 0.300 1 952 87 87 GLU HG2 H 2.204 0.030 1 953 87 87 GLU HG3 H 2.204 0.030 1 954 87 87 GLU C C 175.754 0.300 1 955 88 88 VAL N N 111.110 0.300 1 956 88 88 VAL H H 7.337 0.030 1 957 88 88 VAL CA C 59.293 0.300 1 958 88 88 VAL HA H 4.657 0.030 1 959 88 88 VAL CB C 34.058 0.300 1 960 88 88 VAL HB H 2.074 0.030 1 961 88 88 VAL CG1 C 22.224 0.300 2 962 88 88 VAL HG1 H 0.808 0.030 1 963 88 88 VAL CG2 C 18.828 0.300 2 964 88 88 VAL HG2 H 0.491 0.030 1 965 88 88 VAL C C 175.969 0.300 1 966 89 89 THR N N 110.594 0.300 1 967 89 89 THR H H 8.185 0.030 1 968 89 89 THR CA C 60.036 0.300 1 969 89 89 THR HA H 4.673 0.030 1 970 89 89 THR CB C 71.582 0.300 1 971 89 89 THR HB H 4.768 0.030 1 972 89 89 THR CG2 C 21.922 0.300 1 973 89 89 THR HG2 H 1.410 0.030 1 974 89 89 THR C C 175.886 0.300 1 975 90 90 VAL N N 120.242 0.300 1 976 90 90 VAL H H 8.880 0.030 1 977 90 90 VAL CA C 66.723 0.300 1 978 90 90 VAL HA H 3.763 0.030 1 979 90 90 VAL CB C 31.635 0.300 1 980 90 90 VAL HB H 2.102 0.030 1 981 90 90 VAL CG1 C 21.914 0.300 2 982 90 90 VAL HG1 H 0.946 0.030 1 983 90 90 VAL CG2 C 23.625 0.300 2 984 90 90 VAL HG2 H 1.031 0.030 1 985 90 90 VAL C C 177.280 0.300 1 986 91 91 ASN N N 115.383 0.300 1 987 91 91 ASN H H 8.212 0.030 1 988 91 91 ASN CA C 55.939 0.300 1 989 91 91 ASN HA H 4.519 0.030 1 990 91 91 ASN CB C 37.354 0.300 1 991 91 91 ASN HB2 H 2.502 0.030 2 992 91 91 ASN HB3 H 2.618 0.030 2 993 91 91 ASN ND2 N 111.387 0.300 1 994 91 91 ASN HD21 H 7.445 0.030 2 995 91 91 ASN HD22 H 6.771 0.030 2 996 91 91 ASN C C 178.246 0.300 1 997 92 92 ALA N N 123.541 0.300 1 998 92 92 ALA H H 7.938 0.030 1 999 92 92 ALA CA C 55.077 0.300 1 1000 92 92 ALA HA H 4.312 0.030 1 1001 92 92 ALA CB C 18.745 0.300 1 1002 92 92 ALA HB H 1.484 0.030 1 1003 92 92 ALA C C 179.034 0.300 1 1004 93 93 VAL N N 119.667 0.300 1 1005 93 93 VAL H H 7.648 0.030 1 1006 93 93 VAL CA C 67.300 0.300 1 1007 93 93 VAL HA H 3.466 0.030 1 1008 93 93 VAL CB C 31.626 0.300 1 1009 93 93 VAL HB H 2.112 0.030 1 1010 93 93 VAL CG1 C 22.401 0.300 2 1011 93 93 VAL HG1 H 1.014 0.030 1 1012 93 93 VAL CG2 C 24.530 0.300 2 1013 93 93 VAL HG2 H 0.694 0.030 1 1014 93 93 VAL C C 177.099 0.300 1 1015 94 94 ALA N N 122.336 0.300 1 1016 94 94 ALA H H 8.845 0.030 1 1017 94 94 ALA CA C 55.401 0.300 1 1018 94 94 ALA HA H 4.130 0.030 1 1019 94 94 ALA CB C 18.415 0.300 1 1020 94 94 ALA HB H 1.238 0.030 1 1021 94 94 ALA C C 180.181 0.300 1 1022 95 95 GLY N N 103.424 0.300 1 1023 95 95 GLY H H 8.057 0.030 1 1024 95 95 GLY CA C 47.065 0.300 1 1025 95 95 GLY HA2 H 3.873 0.030 2 1026 95 95 GLY HA3 H 3.999 0.030 2 1027 95 95 GLY C C 177.044 0.300 1 1028 96 96 ALA N N 126.732 0.300 1 1029 96 96 ALA H H 8.541 0.030 1 1030 96 96 ALA CA C 55.059 0.300 1 1031 96 96 ALA HA H 4.206 0.030 1 1032 96 96 ALA CB C 18.751 0.300 1 1033 96 96 ALA HB H 1.792 0.030 1 1034 96 96 ALA C C 179.189 0.300 1 1035 97 97 LEU N N 120.693 0.300 1 1036 97 97 LEU H H 8.738 0.030 1 1037 97 97 LEU CA C 58.525 0.300 1 1038 97 97 LEU HA H 4.412 0.030 1 1039 97 97 LEU CB C 41.062 0.300 1 1040 97 97 LEU HB2 H 1.709 0.030 2 1041 97 97 LEU HB3 H 2.620 0.030 2 1042 97 97 LEU CG C 27.926 0.300 1 1043 97 97 LEU HG H 2.036 0.030 1 1044 97 97 LEU CD1 C 25.327 0.300 2 1045 97 97 LEU HD1 H 1.180 0.030 1 1046 97 97 LEU CD2 C 26.749 0.300 2 1047 97 97 LEU HD2 H 1.307 0.030 1 1048 97 97 LEU C C 179.003 0.300 1 1049 98 98 LYS N N 117.620 0.300 1 1050 98 98 LYS H H 8.108 0.030 1 1051 98 98 LYS CA C 61.859 0.300 1 1052 98 98 LYS HA H 4.129 0.030 1 1053 98 98 LYS CB C 32.206 0.300 1 1054 98 98 LYS HB2 H 1.995 0.030 1 1055 98 98 LYS HB3 H 1.995 0.030 1 1056 98 98 LYS CG C 25.985 0.300 1 1057 98 98 LYS HG2 H 1.150 0.030 2 1058 98 98 LYS HG3 H 1.750 0.030 2 1059 98 98 LYS CD C 29.564 0.300 1 1060 98 98 LYS HD2 H 1.511 0.030 2 1061 98 98 LYS HD3 H 1.467 0.030 2 1062 98 98 LYS CE C 41.379 0.300 1 1063 98 98 LYS HE2 H 2.755 0.030 2 1064 98 98 LYS HE3 H 2.663 0.030 2 1065 98 98 LYS C C 178.630 0.300 1 1066 99 99 ALA N N 120.298 0.300 1 1067 99 99 ALA H H 8.283 0.030 1 1068 99 99 ALA CA C 54.964 0.300 1 1069 99 99 ALA HA H 4.162 0.030 1 1070 99 99 ALA CB C 18.107 0.300 1 1071 99 99 ALA HB H 1.499 0.030 1 1072 99 99 ALA C C 179.427 0.300 1 1073 100 100 PHE N N 117.948 0.300 1 1074 100 100 PHE H H 8.059 0.030 1 1075 100 100 PHE CA C 61.802 0.300 1 1076 100 100 PHE HA H 4.236 0.030 1 1077 100 100 PHE CB C 38.667 0.300 1 1078 100 100 PHE HB2 H 3.356 0.030 2 1079 100 100 PHE HB3 H 3.709 0.030 2 1080 100 100 PHE CD1 C 131.784 0.300 1 1081 100 100 PHE HD1 H 6.429 0.030 1 1082 100 100 PHE CD2 C 131.784 0.300 1 1083 100 100 PHE HD2 H 6.429 0.030 1 1084 100 100 PHE CE1 C 131.134 0.300 1 1085 100 100 PHE HE1 H 6.763 0.030 1 1086 100 100 PHE CE2 C 131.134 0.300 1 1087 100 100 PHE HE2 H 6.763 0.030 1 1088 100 100 PHE CZ C 128.583 0.300 1 1089 100 100 PHE HZ H 6.813 0.030 1 1090 100 100 PHE C C 177.257 0.300 1 1091 101 101 PHE N N 115.068 0.300 1 1092 101 101 PHE H H 7.394 0.030 1 1093 101 101 PHE CA C 62.239 0.300 1 1094 101 101 PHE HA H 4.077 0.030 1 1095 101 101 PHE CB C 39.368 0.300 1 1096 101 101 PHE HB2 H 3.111 0.030 2 1097 101 101 PHE HB3 H 3.383 0.030 2 1098 101 101 PHE CD1 C 132.500 0.300 1 1099 101 101 PHE HD1 H 7.725 0.030 1 1100 101 101 PHE CD2 C 132.500 0.300 1 1101 101 101 PHE HD2 H 7.725 0.030 1 1102 101 101 PHE CE1 C 130.615 0.300 1 1103 101 101 PHE HE1 H 7.380 0.030 1 1104 101 101 PHE CE2 C 130.615 0.300 1 1105 101 101 PHE HE2 H 7.380 0.030 1 1106 101 101 PHE CZ C 129.541 0.300 1 1107 101 101 PHE HZ H 7.157 0.030 1 1108 101 101 PHE C C 178.441 0.300 1 1109 102 102 ALA N N 124.011 0.300 1 1110 102 102 ALA H H 8.351 0.030 1 1111 102 102 ALA CA C 54.003 0.300 1 1112 102 102 ALA HA H 4.614 0.030 1 1113 102 102 ALA CB C 18.440 0.300 1 1114 102 102 ALA HB H 1.544 0.030 1 1115 102 102 ALA C C 177.827 0.300 1 1116 103 103 ASP N N 115.871 0.300 1 1117 103 103 ASP H H 7.562 0.030 1 1118 103 103 ASP CA C 53.757 0.300 1 1119 103 103 ASP HA H 4.612 0.030 1 1120 103 103 ASP CB C 41.679 0.300 1 1121 103 103 ASP HB2 H 2.651 0.030 1 1122 103 103 ASP HB3 H 2.651 0.030 1 1123 103 103 ASP C C 176.785 0.300 1 1124 104 104 LEU N N 120.049 0.300 1 1125 104 104 LEU H H 6.732 0.030 1 1126 104 104 LEU CA C 53.721 0.300 1 1127 104 104 LEU HA H 4.018 0.030 1 1128 104 104 LEU CB C 41.803 0.300 1 1129 104 104 LEU HB2 H 1.547 0.030 2 1130 104 104 LEU HB3 H 1.686 0.030 2 1131 104 104 LEU CG C 25.960 0.300 1 1132 104 104 LEU HG H 1.716 0.030 1 1133 104 104 LEU CD1 C 26.302 0.300 2 1134 104 104 LEU HD1 H 1.118 0.030 1 1135 104 104 LEU CD2 C 22.614 0.300 2 1136 104 104 LEU HD2 H 0.607 0.030 1 1137 104 104 LEU C C 177.183 0.300 1 1138 105 105 PRO CA C 64.915 0.300 1 1139 105 105 PRO HA H 4.239 0.030 1 1140 105 105 PRO CB C 31.683 0.300 1 1141 105 105 PRO HB2 H 2.000 0.030 2 1142 105 105 PRO HB3 H 2.280 0.030 2 1143 105 105 PRO CG C 27.410 0.300 1 1144 105 105 PRO HG2 H 1.933 0.030 2 1145 105 105 PRO HG3 H 1.800 0.030 2 1146 105 105 PRO CD C 50.057 0.300 1 1147 105 105 PRO HD2 H 3.179 0.030 2 1148 105 105 PRO HD3 H 3.665 0.030 2 1149 105 105 PRO C C 175.382 0.300 1 1150 106 106 ASP N N 114.456 0.300 1 1151 106 106 ASP H H 6.958 0.030 1 1152 106 106 ASP CA C 50.746 0.300 1 1153 106 106 ASP HA H 5.031 0.030 1 1154 106 106 ASP CB C 43.396 0.300 1 1155 106 106 ASP HB2 H 2.731 0.030 2 1156 106 106 ASP HB3 H 2.265 0.030 2 1157 106 106 ASP C C 172.368 0.300 1 1158 107 107 PRO CA C 61.809 0.300 1 1159 107 107 PRO HA H 4.414 0.030 1 1160 107 107 PRO CB C 31.733 0.300 1 1161 107 107 PRO HB2 H 1.597 0.030 2 1162 107 107 PRO HB3 H 2.097 0.030 2 1163 107 107 PRO CG C 26.158 0.300 1 1164 107 107 PRO HG2 H 1.518 0.030 2 1165 107 107 PRO HG3 H 0.910 0.030 2 1166 107 107 PRO CD C 50.241 0.300 1 1167 107 107 PRO HD2 H 3.494 0.030 2 1168 107 107 PRO HD3 H 3.152 0.030 2 1169 107 107 PRO C C 176.350 0.300 1 1170 108 108 LEU N N 119.478 0.300 1 1171 108 108 LEU H H 8.482 0.030 1 1172 108 108 LEU CA C 57.300 0.300 1 1173 108 108 LEU HA H 3.931 0.030 1 1174 108 108 LEU CB C 42.890 0.300 1 1175 108 108 LEU HB2 H 1.616 0.030 2 1176 108 108 LEU HB3 H 1.794 0.030 2 1177 108 108 LEU CG C 27.356 0.300 1 1178 108 108 LEU HG H 1.752 0.030 1 1179 108 108 LEU CD1 C 24.627 0.300 2 1180 108 108 LEU HD1 H 1.271 0.030 1 1181 108 108 LEU CD2 C 27.095 0.300 2 1182 108 108 LEU HD2 H 0.954 0.030 1 1183 108 108 LEU C C 176.708 0.300 1 1184 109 109 ILE N N 113.484 0.300 1 1185 109 109 ILE H H 7.454 0.030 1 1186 109 109 ILE CA C 58.097 0.300 1 1187 109 109 ILE HA H 3.844 0.030 1 1188 109 109 ILE CB C 36.475 0.300 1 1189 109 109 ILE HB H 1.793 0.030 1 1190 109 109 ILE CG1 C 26.817 0.300 1 1191 109 109 ILE HG12 H 0.211 0.030 2 1192 109 109 ILE HG13 H 1.282 0.030 2 1193 109 109 ILE CG2 C 17.161 0.300 1 1194 109 109 ILE HG2 H 0.582 0.030 1 1195 109 109 ILE CD1 C 13.064 0.300 1 1196 109 109 ILE HD1 H 0.671 0.030 1 1197 109 109 ILE C C 173.534 0.300 1 1198 110 110 PRO CA C 63.199 0.300 1 1199 110 110 PRO HA H 3.960 0.030 1 1200 110 110 PRO CB C 32.700 0.300 1 1201 110 110 PRO HB2 H 1.740 0.030 2 1202 110 110 PRO HB3 H 2.138 0.030 2 1203 110 110 PRO CG C 27.329 0.300 1 1204 110 110 PRO HG2 H 1.729 0.030 2 1205 110 110 PRO HG3 H 1.653 0.030 2 1206 110 110 PRO CD C 50.131 0.300 1 1207 110 110 PRO HD2 H 2.284 0.030 2 1208 110 110 PRO HD3 H 3.304 0.030 2 1209 111 111 TYR N N 120.124 0.300 1 1210 111 111 TYR H H 7.849 0.030 1 1211 111 111 TYR CA C 60.688 0.300 1 1212 111 111 TYR HA H 2.579 0.030 1 1213 111 111 TYR CB C 38.550 0.300 1 1214 111 111 TYR HB2 H 2.873 0.030 2 1215 111 111 TYR HB3 H 2.611 0.030 2 1216 111 111 TYR CD1 C 132.823 0.300 1 1217 111 111 TYR HD1 H 7.058 0.030 1 1218 111 111 TYR CD2 C 132.823 0.300 1 1219 111 111 TYR HD2 H 7.058 0.030 1 1220 111 111 TYR CE1 C 118.592 0.300 1 1221 111 111 TYR HE1 H 7.073 0.030 1 1222 111 111 TYR CE2 C 118.592 0.300 1 1223 111 111 TYR HE2 H 7.073 0.030 1 1224 111 111 TYR C C 179.833 0.300 1 1225 112 112 SER N N 113.454 0.300 1 1226 112 112 SER H H 8.807 0.030 1 1227 112 112 SER CA C 60.714 0.300 1 1228 112 112 SER HA H 4.096 0.030 1 1229 112 112 SER CB C 62.072 0.300 1 1230 112 112 SER HB2 H 3.944 0.030 1 1231 112 112 SER HB3 H 3.944 0.030 1 1232 112 112 SER C C 175.848 0.300 1 1233 113 113 LEU N N 118.478 0.300 1 1234 113 113 LEU H H 7.520 0.030 1 1235 113 113 LEU CA C 54.249 0.300 1 1236 113 113 LEU HA H 4.779 0.030 1 1237 113 113 LEU CB C 42.544 0.300 1 1238 113 113 LEU HB2 H 1.609 0.030 2 1239 113 113 LEU HB3 H 1.544 0.030 2 1240 113 113 LEU CG C 27.315 0.300 1 1241 113 113 LEU HG H 1.647 0.030 1 1242 113 113 LEU CD1 C 27.346 0.300 2 1243 113 113 LEU HD1 H 0.861 0.030 1 1244 113 113 LEU CD2 C 22.969 0.300 2 1245 113 113 LEU HD2 H 0.884 0.030 1 1246 113 113 LEU C C 177.328 0.300 1 1247 114 114 HIS N N 120.544 0.300 1 1248 114 114 HIS H H 8.143 0.030 1 1249 114 114 HIS CA C 60.716 0.300 1 1250 114 114 HIS HA H 4.419 0.030 1 1251 114 114 HIS CB C 28.856 0.300 1 1252 114 114 HIS HB2 H 3.557 0.030 2 1253 114 114 HIS HB3 H 3.117 0.030 2 1254 114 114 HIS CD2 C 116.737 0.300 1 1255 114 114 HIS HD2 H 6.541 0.030 1 1256 114 114 HIS CE1 C 140.745 0.300 1 1257 114 114 HIS HE1 H 8.577 0.030 1 1258 114 114 HIS C C 174.161 0.300 1 1259 115 115 PRO CA C 66.627 0.300 1 1260 115 115 PRO HA H 4.276 0.030 1 1261 115 115 PRO CB C 30.895 0.300 1 1262 115 115 PRO HB2 H 1.992 0.030 2 1263 115 115 PRO HB3 H 2.396 0.030 2 1264 115 115 PRO CG C 28.627 0.300 1 1265 115 115 PRO HG2 H 2.186 0.030 2 1266 115 115 PRO HG3 H 2.043 0.030 2 1267 115 115 PRO CD C 50.596 0.300 1 1268 115 115 PRO HD2 H 3.697 0.030 2 1269 115 115 PRO HD3 H 3.953 0.030 2 1270 115 115 PRO C C 179.853 0.300 1 1271 116 116 GLU N N 115.342 0.300 1 1272 116 116 GLU H H 7.460 0.030 1 1273 116 116 GLU CA C 59.518 0.300 1 1274 116 116 GLU HA H 4.131 0.030 1 1275 116 116 GLU CB C 30.116 0.300 1 1276 116 116 GLU HB2 H 2.130 0.030 1 1277 116 116 GLU HB3 H 2.130 0.030 1 1278 116 116 GLU CG C 37.457 0.300 1 1279 116 116 GLU HG2 H 2.350 0.030 1 1280 116 116 GLU HG3 H 2.350 0.030 1 1281 116 116 GLU C C 179.683 0.300 1 1282 117 117 LEU N N 121.462 0.300 1 1283 117 117 LEU H H 8.307 0.030 1 1284 117 117 LEU CA C 58.551 0.300 1 1285 117 117 LEU HA H 3.940 0.030 1 1286 117 117 LEU CB C 42.519 0.300 1 1287 117 117 LEU HB2 H 1.301 0.030 2 1288 117 117 LEU HB3 H 2.145 0.030 2 1289 117 117 LEU CG C 26.811 0.300 1 1290 117 117 LEU HG H 1.984 0.030 1 1291 117 117 LEU CD1 C 26.655 0.300 2 1292 117 117 LEU HD1 H 0.806 0.030 1 1293 117 117 LEU CD2 C 24.633 0.300 2 1294 117 117 LEU HD2 H 0.998 0.030 1 1295 117 117 LEU C C 177.418 0.300 1 1296 118 118 LEU N N 116.950 0.300 1 1297 118 118 LEU H H 8.197 0.030 1 1298 118 118 LEU CA C 57.663 0.300 1 1299 118 118 LEU HA H 3.654 0.030 1 1300 118 118 LEU CB C 41.012 0.300 1 1301 118 118 LEU HB2 H 1.764 0.030 2 1302 118 118 LEU HB3 H 1.302 0.030 2 1303 118 118 LEU CG C 26.830 0.300 1 1304 118 118 LEU HG H 1.609 0.030 1 1305 118 118 LEU CD1 C 25.116 0.300 2 1306 118 118 LEU HD1 H 0.629 0.030 1 1307 118 118 LEU CD2 C 21.626 0.300 2 1308 118 118 LEU HD2 H 0.099 0.030 1 1309 118 118 LEU C C 178.503 0.300 1 1310 119 119 GLU N N 115.877 0.300 1 1311 119 119 GLU H H 7.591 0.030 1 1312 119 119 GLU CA C 58.825 0.300 1 1313 119 119 GLU HA H 3.971 0.030 1 1314 119 119 GLU CB C 29.653 0.300 1 1315 119 119 GLU HB2 H 2.034 0.030 1 1316 119 119 GLU HB3 H 2.034 0.030 1 1317 119 119 GLU CG C 36.005 0.300 1 1318 119 119 GLU HG2 H 2.344 0.030 2 1319 119 119 GLU HG3 H 2.280 0.030 2 1320 119 119 GLU C C 180.128 0.300 1 1321 120 120 ALA N N 122.740 0.300 1 1322 120 120 ALA H H 8.134 0.030 1 1323 120 120 ALA CA C 54.205 0.300 1 1324 120 120 ALA HA H 4.136 0.030 1 1325 120 120 ALA CB C 18.124 0.300 1 1326 120 120 ALA HB H 1.434 0.030 1 1327 120 120 ALA C C 179.030 0.300 1 1328 121 121 ALA N N 115.998 0.300 1 1329 121 121 ALA H H 7.843 0.030 1 1330 121 121 ALA CA C 53.856 0.300 1 1331 121 121 ALA HA H 3.771 0.030 1 1332 121 121 ALA CB C 18.848 0.300 1 1333 121 121 ALA HB H 1.341 0.030 1 1334 121 121 ALA C C 177.884 0.300 1 1335 122 122 LYS N N 114.576 0.300 1 1336 122 122 LYS H H 7.144 0.030 1 1337 122 122 LYS CA C 56.404 0.300 1 1338 122 122 LYS HA H 4.071 0.030 1 1339 122 122 LYS CB C 33.112 0.300 1 1340 122 122 LYS HB2 H 1.954 0.030 2 1341 122 122 LYS HB3 H 1.790 0.030 2 1342 122 122 LYS CG C 25.021 0.300 1 1343 122 122 LYS HG2 H 1.351 0.030 2 1344 122 122 LYS HG3 H 1.737 0.030 2 1345 122 122 LYS CD C 29.814 0.300 1 1346 122 122 LYS HD2 H 1.610 0.030 2 1347 122 122 LYS HD3 H 1.683 0.030 2 1348 122 122 LYS CE C 42.050 0.300 1 1349 122 122 LYS HE2 H 2.816 0.030 2 1350 122 122 LYS HE3 H 2.874 0.030 2 1351 122 122 LYS C C 177.130 0.300 1 1352 123 123 ILE N N 125.456 0.300 1 1353 123 123 ILE H H 7.621 0.030 1 1354 123 123 ILE CA C 61.042 0.300 1 1355 123 123 ILE HA H 4.050 0.030 1 1356 123 123 ILE CB C 39.167 0.300 1 1357 123 123 ILE HB H 1.735 0.030 1 1358 123 123 ILE CG1 C 29.126 0.300 1 1359 123 123 ILE HG12 H 1.076 0.030 2 1360 123 123 ILE HG13 H 1.924 0.030 2 1361 123 123 ILE CG2 C 16.588 0.300 1 1362 123 123 ILE HG2 H 1.023 0.030 1 1363 123 123 ILE CD1 C 14.594 0.300 1 1364 123 123 ILE HD1 H 0.994 0.030 1 1365 123 123 ILE C C 176.722 0.300 1 1366 124 124 PRO CA C 65.196 0.300 1 1367 124 124 PRO HA H 4.235 0.030 1 1368 124 124 PRO CB C 32.330 0.300 1 1369 124 124 PRO HB2 H 2.279 0.030 2 1370 124 124 PRO HB3 H 2.000 0.030 2 1371 124 124 PRO CG C 27.387 0.300 1 1372 124 124 PRO HG2 H 1.994 0.030 2 1373 124 124 PRO HG3 H 2.087 0.030 2 1374 124 124 PRO CD C 51.714 0.300 1 1375 124 124 PRO HD2 H 3.863 0.030 2 1376 124 124 PRO HD3 H 4.085 0.030 2 1377 124 124 PRO C C 177.559 0.300 1 1378 125 125 ASP N N 119.260 0.300 1 1379 125 125 ASP H H 7.304 0.030 1 1380 125 125 ASP CA C 54.513 0.300 1 1381 125 125 ASP HA H 4.559 0.030 1 1382 125 125 ASP CB C 43.395 0.300 1 1383 125 125 ASP HB2 H 2.607 0.030 1 1384 125 125 ASP HB3 H 2.607 0.030 1 1385 125 125 ASP C C 175.437 0.300 1 1386 126 126 LYS N N 127.857 0.300 1 1387 126 126 LYS H H 8.747 0.030 1 1388 126 126 LYS CA C 60.473 0.300 1 1389 126 126 LYS HA H 3.670 0.030 1 1390 126 126 LYS CB C 33.103 0.300 1 1391 126 126 LYS HB2 H 1.896 0.030 2 1392 126 126 LYS HB3 H 1.766 0.030 2 1393 126 126 LYS CG C 24.786 0.300 1 1394 126 126 LYS HG2 H 1.075 0.030 2 1395 126 126 LYS HG3 H 1.283 0.030 2 1396 126 126 LYS CD C 30.023 0.300 1 1397 126 126 LYS HD2 H 1.593 0.030 2 1398 126 126 LYS HD3 H 1.642 0.030 2 1399 126 126 LYS CE C 42.050 0.300 1 1400 126 126 LYS HE2 H 2.675 0.030 2 1401 126 126 LYS HE3 H 2.818 0.030 2 1402 126 126 LYS C C 176.903 0.300 1 1403 127 127 THR N N 115.304 0.300 1 1404 127 127 THR H H 7.927 0.030 1 1405 127 127 THR CA C 67.781 0.300 1 1406 127 127 THR HA H 3.542 0.030 1 1407 127 127 THR CB C 67.734 0.300 1 1408 127 127 THR HB H 4.239 0.030 1 1409 127 127 THR CG2 C 22.055 0.300 1 1410 127 127 THR HG2 H 1.094 0.030 1 1411 127 127 THR C C 176.880 0.300 1 1412 128 128 GLU N N 123.062 0.300 1 1413 128 128 GLU H H 8.650 0.030 1 1414 128 128 GLU CA C 59.591 0.300 1 1415 128 128 GLU HA H 3.986 0.030 1 1416 128 128 GLU CB C 29.986 0.300 1 1417 128 128 GLU HB2 H 2.039 0.030 1 1418 128 128 GLU HB3 H 2.039 0.030 1 1419 128 128 GLU CG C 36.370 0.300 1 1420 128 128 GLU HG2 H 2.468 0.030 2 1421 128 128 GLU HG3 H 2.223 0.030 2 1422 128 128 GLU C C 179.466 0.300 1 1423 129 129 ARG N N 122.322 0.300 1 1424 129 129 ARG H H 8.787 0.030 1 1425 129 129 ARG CA C 59.654 0.300 1 1426 129 129 ARG HA H 3.967 0.030 1 1427 129 129 ARG CB C 31.120 0.300 1 1428 129 129 ARG HB2 H 1.945 0.030 1 1429 129 129 ARG HB3 H 1.945 0.030 1 1430 129 129 ARG CG C 26.493 0.300 1 1431 129 129 ARG HG2 H 2.196 0.030 2 1432 129 129 ARG HG3 H 1.149 0.030 2 1433 129 129 ARG CD C 44.024 0.300 1 1434 129 129 ARG HD2 H 3.437 0.030 2 1435 129 129 ARG HD3 H 3.176 0.030 2 1436 129 129 ARG NE N 84.594 0.300 1 1437 129 129 ARG HE H 7.124 0.030 1 1438 129 129 ARG C C 177.738 0.300 1 1439 130 130 LEU N N 117.971 0.300 1 1440 130 130 LEU H H 8.243 0.030 1 1441 130 130 LEU CA C 58.525 0.300 1 1442 130 130 LEU HA H 3.989 0.030 1 1443 130 130 LEU CB C 39.515 0.300 1 1444 130 130 LEU HB2 H 1.425 0.030 2 1445 130 130 LEU HB3 H 0.919 0.030 2 1446 130 130 LEU CG C 27.024 0.300 1 1447 130 130 LEU HG H 1.857 0.030 1 1448 130 130 LEU CD1 C 26.024 0.300 2 1449 130 130 LEU HD1 H 0.393 0.030 1 1450 130 130 LEU CD2 C 24.518 0.300 2 1451 130 130 LEU HD2 H 0.574 0.030 1 1452 130 130 LEU C C 179.745 0.300 1 1453 131 131 HIS N N 117.789 0.300 1 1454 131 131 HIS H H 8.246 0.030 1 1455 131 131 HIS CA C 61.746 0.300 1 1456 131 131 HIS HA H 4.327 0.030 1 1457 131 131 HIS CB C 29.611 0.300 1 1458 131 131 HIS HB2 H 3.184 0.030 2 1459 131 131 HIS HB3 H 3.281 0.030 2 1460 131 131 HIS CD2 C 121.420 0.300 1 1461 131 131 HIS HD2 H 7.154 0.030 1 1462 131 131 HIS CE1 C 138.189 0.300 1 1463 131 131 HIS HE1 H 7.864 0.030 1 1464 131 131 HIS C C 178.092 0.300 1 1465 132 132 ALA N N 123.160 0.300 1 1466 132 132 ALA H H 8.400 0.030 1 1467 132 132 ALA CA C 55.481 0.300 1 1468 132 132 ALA HA H 4.279 0.030 1 1469 132 132 ALA CB C 18.702 0.300 1 1470 132 132 ALA HB H 1.613 0.030 1 1471 132 132 ALA C C 181.503 0.300 1 1472 133 133 LEU N N 118.314 0.300 1 1473 133 133 LEU H H 8.581 0.030 1 1474 133 133 LEU CA C 58.156 0.300 1 1475 133 133 LEU HA H 4.087 0.030 1 1476 133 133 LEU CB C 42.827 0.300 1 1477 133 133 LEU HB2 H 2.266 0.030 2 1478 133 133 LEU HB3 H 1.189 0.030 2 1479 133 133 LEU CG C 27.208 0.300 1 1480 133 133 LEU HG H 1.893 0.030 1 1481 133 133 LEU CD1 C 26.597 0.300 2 1482 133 133 LEU HD1 H 0.748 0.030 1 1483 133 133 LEU CD2 C 24.709 0.300 2 1484 133 133 LEU HD2 H 0.912 0.030 1 1485 133 133 LEU C C 178.356 0.300 1 1486 134 134 LYS N N 122.068 0.300 1 1487 134 134 LYS H H 8.601 0.030 1 1488 134 134 LYS CA C 59.852 0.300 1 1489 134 134 LYS HA H 4.128 0.030 1 1490 134 134 LYS CB C 32.328 0.300 1 1491 134 134 LYS HB2 H 2.321 0.030 2 1492 134 134 LYS HB3 H 1.945 0.030 2 1493 134 134 LYS CG C 26.107 0.300 1 1494 134 134 LYS HG2 H 1.285 0.030 2 1495 134 134 LYS HG3 H 1.463 0.030 2 1496 134 134 LYS CD C 30.600 0.300 1 1497 134 134 LYS HD2 H 1.247 0.030 2 1498 134 134 LYS HD3 H 0.584 0.030 2 1499 134 134 LYS CE C 42.062 0.300 1 1500 134 134 LYS HE2 H 2.678 0.030 1 1501 134 134 LYS HE3 H 2.678 0.030 1 1502 134 134 LYS C C 177.479 0.300 1 1503 135 135 GLU N N 116.531 0.300 1 1504 135 135 GLU H H 7.807 0.030 1 1505 135 135 GLU CA C 58.786 0.300 1 1506 135 135 GLU HA H 4.054 0.030 1 1507 135 135 GLU CB C 29.409 0.300 1 1508 135 135 GLU HB2 H 2.219 0.030 2 1509 135 135 GLU HB3 H 2.106 0.030 2 1510 135 135 GLU CG C 36.213 0.300 1 1511 135 135 GLU HG2 H 2.436 0.030 1 1512 135 135 GLU HG3 H 2.436 0.030 1 1513 135 135 GLU C C 179.066 0.300 1 1514 136 136 ILE N N 117.935 0.300 1 1515 136 136 ILE H H 7.541 0.030 1 1516 136 136 ILE CA C 65.243 0.300 1 1517 136 136 ILE HA H 3.731 0.030 1 1518 136 136 ILE CB C 38.272 0.300 1 1519 136 136 ILE HB H 1.953 0.030 1 1520 136 136 ILE CG1 C 28.780 0.300 1 1521 136 136 ILE HG12 H 1.267 0.030 2 1522 136 136 ILE HG13 H 1.934 0.030 2 1523 136 136 ILE CG2 C 19.810 0.300 1 1524 136 136 ILE HG2 H 1.054 0.030 1 1525 136 136 ILE CD1 C 15.802 0.300 1 1526 136 136 ILE HD1 H 0.857 0.030 1 1527 136 136 ILE C C 178.511 0.300 1 1528 137 137 VAL N N 120.119 0.300 1 1529 137 137 VAL H H 8.121 0.030 1 1530 137 137 VAL CA C 64.102 0.300 1 1531 137 137 VAL HA H 3.668 0.030 1 1532 137 137 VAL CB C 31.196 0.300 1 1533 137 137 VAL HB H 1.926 0.030 1 1534 137 137 VAL CG1 C 21.196 0.300 2 1535 137 137 VAL HG1 H 1.058 0.030 1 1536 137 137 VAL CG2 C 22.873 0.300 2 1537 137 137 VAL HG2 H 0.475 0.030 1 1538 137 137 VAL C C 176.956 0.300 1 1539 138 138 LYS N N 117.657 0.300 1 1540 138 138 LYS H H 7.207 0.030 1 1541 138 138 LYS CA C 58.308 0.300 1 1542 138 138 LYS HA H 4.003 0.030 1 1543 138 138 LYS CB C 32.412 0.300 1 1544 138 138 LYS HB2 H 1.834 0.030 2 1545 138 138 LYS HB3 H 1.939 0.030 2 1546 138 138 LYS CG C 25.661 0.300 1 1547 138 138 LYS HG2 H 1.771 0.030 2 1548 138 138 LYS HG3 H 1.456 0.030 2 1549 138 138 LYS CD C 29.529 0.300 1 1550 138 138 LYS HD2 H 1.646 0.030 1 1551 138 138 LYS HD3 H 1.646 0.030 1 1552 138 138 LYS CE C 41.967 0.300 1 1553 138 138 LYS HE2 H 2.878 0.030 1 1554 138 138 LYS HE3 H 2.878 0.030 1 1555 138 138 LYS C C 177.572 0.300 1 1556 139 139 LYS N N 117.174 0.300 1 1557 139 139 LYS H H 8.036 0.030 1 1558 139 139 LYS CA C 56.895 0.300 1 1559 139 139 LYS HA H 4.349 0.030 1 1560 139 139 LYS CB C 32.783 0.300 1 1561 139 139 LYS HB2 H 2.307 0.030 2 1562 139 139 LYS HB3 H 2.074 0.030 2 1563 139 139 LYS CG C 25.791 0.300 1 1564 139 139 LYS HG2 H 1.902 0.030 2 1565 139 139 LYS HG3 H 1.444 0.030 2 1566 139 139 LYS CD C 30.337 0.300 1 1567 139 139 LYS HD2 H 1.818 0.030 2 1568 139 139 LYS HD3 H 1.741 0.030 2 1569 139 139 LYS CE C 42.075 0.300 1 1570 139 139 LYS HE2 H 2.933 0.030 1 1571 139 139 LYS HE3 H 2.933 0.030 1 1572 139 139 LYS C C 177.566 0.300 1 1573 140 140 PHE N N 121.780 0.300 1 1574 140 140 PHE H H 7.978 0.030 1 1575 140 140 PHE CA C 57.716 0.300 1 1576 140 140 PHE HA H 4.252 0.030 1 1577 140 140 PHE CB C 39.143 0.300 1 1578 140 140 PHE HB2 H 3.651 0.030 2 1579 140 140 PHE HB3 H 3.156 0.030 2 1580 140 140 PHE CD1 C 130.493 0.300 1 1581 140 140 PHE HD1 H 7.075 0.030 1 1582 140 140 PHE CD2 C 130.493 0.300 1 1583 140 140 PHE HD2 H 7.075 0.030 1 1584 140 140 PHE CE1 C 130.426 0.300 1 1585 140 140 PHE HE1 H 6.435 0.030 1 1586 140 140 PHE CE2 C 130.426 0.300 1 1587 140 140 PHE HE2 H 6.435 0.030 1 1588 140 140 PHE CZ C 128.009 0.300 1 1589 140 140 PHE HZ H 6.244 0.030 1 1590 140 140 PHE C C 175.952 0.300 1 1591 141 141 HIS N N 124.469 0.300 1 1592 141 141 HIS H H 8.897 0.030 1 1593 141 141 HIS CA C 56.572 0.300 1 1594 141 141 HIS HA H 4.570 0.030 1 1595 141 141 HIS CB C 31.033 0.300 1 1596 141 141 HIS HB2 H 3.336 0.030 2 1597 141 141 HIS HB3 H 3.242 0.030 2 1598 141 141 HIS CD2 C 118.940 0.300 1 1599 141 141 HIS HD2 H 7.230 0.030 1 1600 141 141 HIS CE1 C 138.807 0.300 1 1601 141 141 HIS HE1 H 7.889 0.030 1 1602 141 141 HIS C C 174.367 0.300 1 1603 142 142 PRO CA C 66.462 0.300 1 1604 142 142 PRO HA H 4.238 0.030 1 1605 142 142 PRO CB C 32.503 0.300 1 1606 142 142 PRO HB2 H 2.400 0.030 2 1607 142 142 PRO HB3 H 2.010 0.030 2 1608 142 142 PRO CG C 27.660 0.300 1 1609 142 142 PRO HG2 H 1.906 0.030 1 1610 142 142 PRO HG3 H 1.906 0.030 1 1611 142 142 PRO CD C 50.062 0.300 1 1612 142 142 PRO HD2 H 2.395 0.030 2 1613 142 142 PRO HD3 H 3.591 0.030 2 1614 142 142 PRO C C 178.537 0.300 1 1615 143 143 VAL N N 120.137 0.300 1 1616 143 143 VAL H H 10.035 0.030 1 1617 143 143 VAL CA C 65.743 0.300 1 1618 143 143 VAL HA H 4.371 0.030 1 1619 143 143 VAL CB C 31.561 0.300 1 1620 143 143 VAL HB H 2.328 0.030 1 1621 143 143 VAL CG1 C 21.621 0.300 2 1622 143 143 VAL HG1 H 0.928 0.030 1 1623 143 143 VAL CG2 C 22.847 0.300 2 1624 143 143 VAL HG2 H 1.281 0.030 1 1625 143 143 VAL C C 177.954 0.300 1 1626 144 144 ASN N N 118.163 0.300 1 1627 144 144 ASN H H 7.604 0.030 1 1628 144 144 ASN CA C 58.315 0.300 1 1629 144 144 ASN HA H 4.169 0.030 1 1630 144 144 ASN CB C 37.766 0.300 1 1631 144 144 ASN HB2 H 3.024 0.030 2 1632 144 144 ASN HB3 H 2.845 0.030 2 1633 144 144 ASN ND2 N 113.147 0.300 1 1634 144 144 ASN HD21 H 8.406 0.030 2 1635 144 144 ASN HD22 H 7.311 0.030 2 1636 144 144 ASN C C 177.328 0.300 1 1637 145 145 TYR N N 119.755 0.300 1 1638 145 145 TYR H H 9.725 0.030 1 1639 145 145 TYR CA C 63.576 0.300 1 1640 145 145 TYR HA H 3.880 0.030 1 1641 145 145 TYR CB C 38.425 0.300 1 1642 145 145 TYR HB2 H 3.039 0.030 2 1643 145 145 TYR HB3 H 3.355 0.030 2 1644 145 145 TYR CD1 C 133.935 0.300 1 1645 145 145 TYR HD1 H 7.221 0.030 1 1646 145 145 TYR CD2 C 133.935 0.300 1 1647 145 145 TYR HD2 H 7.221 0.030 1 1648 145 145 TYR CE1 C 117.379 0.300 1 1649 145 145 TYR HE1 H 6.771 0.030 1 1650 145 145 TYR CE2 C 117.379 0.300 1 1651 145 145 TYR HE2 H 6.771 0.030 1 1652 145 145 TYR C C 176.096 0.300 1 1653 146 146 ASP N N 120.052 0.300 1 1654 146 146 ASP H H 8.612 0.030 1 1655 146 146 ASP CA C 57.962 0.300 1 1656 146 146 ASP HA H 4.312 0.030 1 1657 146 146 ASP CB C 40.320 0.300 1 1658 146 146 ASP HB2 H 3.127 0.030 2 1659 146 146 ASP HB3 H 2.492 0.030 2 1660 146 146 ASP C C 179.945 0.300 1 1661 147 147 VAL N N 118.680 0.300 1 1662 147 147 VAL H H 8.450 0.030 1 1663 147 147 VAL CA C 67.061 0.300 1 1664 147 147 VAL HA H 3.738 0.030 1 1665 147 147 VAL CB C 31.424 0.300 1 1666 147 147 VAL HB H 2.325 0.030 1 1667 147 147 VAL CG1 C 22.957 0.300 2 1668 147 147 VAL HG1 H 1.351 0.030 1 1669 147 147 VAL CG2 C 24.767 0.300 2 1670 147 147 VAL HG2 H 1.379 0.030 1 1671 147 147 VAL C C 176.875 0.300 1 1672 148 148 PHE N N 122.389 0.300 1 1673 148 148 PHE H H 9.213 0.030 1 1674 148 148 PHE CA C 61.447 0.300 1 1675 148 148 PHE HA H 4.193 0.030 1 1676 148 148 PHE CB C 39.749 0.300 1 1677 148 148 PHE HB2 H 2.960 0.030 2 1678 148 148 PHE HB3 H 3.217 0.030 2 1679 148 148 PHE CD1 C 131.011 0.300 1 1680 148 148 PHE HD1 H 6.707 0.030 1 1681 148 148 PHE CD2 C 131.011 0.300 1 1682 148 148 PHE HD2 H 6.707 0.030 1 1683 148 148 PHE CE1 C 130.488 0.300 1 1684 148 148 PHE HE1 H 6.348 0.030 1 1685 148 148 PHE CE2 C 130.488 0.300 1 1686 148 148 PHE HE2 H 6.348 0.030 1 1687 148 148 PHE CZ C 128.486 0.300 1 1688 148 148 PHE HZ H 6.161 0.030 1 1689 148 148 PHE C C 175.768 0.300 1 1690 149 149 ARG N N 118.671 0.300 1 1691 149 149 ARG H H 8.843 0.030 1 1692 149 149 ARG CA C 59.074 0.300 1 1693 149 149 ARG HA H 1.940 0.030 1 1694 149 149 ARG CB C 29.366 0.300 1 1695 149 149 ARG HB2 H 1.659 0.030 2 1696 149 149 ARG HB3 H 0.529 0.030 2 1697 149 149 ARG CG C 25.520 0.300 1 1698 149 149 ARG HG2 H 1.006 0.030 2 1699 149 149 ARG HG3 H 0.432 0.030 2 1700 149 149 ARG CD C 43.781 0.300 1 1701 149 149 ARG HD2 H 2.947 0.030 2 1702 149 149 ARG HD3 H 3.002 0.030 2 1703 149 149 ARG NE N 82.581 0.300 1 1704 149 149 ARG HE H 7.483 0.030 1 1705 149 149 ARG C C 178.877 0.300 1 1706 150 150 TYR N N 123.036 0.300 1 1707 150 150 TYR H H 7.951 0.030 1 1708 150 150 TYR CA C 62.492 0.300 1 1709 150 150 TYR HA H 3.917 0.030 1 1710 150 150 TYR CB C 40.096 0.300 1 1711 150 150 TYR HB2 H 3.185 0.030 1 1712 150 150 TYR HB3 H 3.185 0.030 1 1713 150 150 TYR CD1 C 133.093 0.300 1 1714 150 150 TYR HD1 H 6.893 0.030 1 1715 150 150 TYR CD2 C 133.093 0.300 1 1716 150 150 TYR HD2 H 6.893 0.030 1 1717 150 150 TYR CE1 C 118.391 0.300 1 1718 150 150 TYR HE1 H 6.626 0.030 1 1719 150 150 TYR CE2 C 118.391 0.300 1 1720 150 150 TYR HE2 H 6.626 0.030 1 1721 150 150 TYR C C 178.380 0.300 1 1722 151 151 VAL N N 119.916 0.300 1 1723 151 151 VAL H H 8.739 0.030 1 1724 151 151 VAL CA C 66.795 0.300 1 1725 151 151 VAL HA H 3.469 0.030 1 1726 151 151 VAL CB C 32.015 0.300 1 1727 151 151 VAL HB H 1.923 0.030 1 1728 151 151 VAL CG1 C 20.038 0.300 2 1729 151 151 VAL HG1 H 0.497 0.030 1 1730 151 151 VAL CG2 C 24.228 0.300 2 1731 151 151 VAL HG2 H 1.050 0.030 1 1732 151 151 VAL C C 176.790 0.300 1 1733 152 152 ILE N N 120.084 0.300 1 1734 152 152 ILE H H 8.743 0.030 1 1735 152 152 ILE CA C 61.517 0.300 1 1736 152 152 ILE HA H 3.372 0.030 1 1737 152 152 ILE CB C 33.078 0.300 1 1738 152 152 ILE HB H 1.593 0.030 1 1739 152 152 ILE CG1 C 25.925 0.300 1 1740 152 152 ILE HG12 H 0.774 0.030 2 1741 152 152 ILE HG13 H -0.265 0.030 2 1742 152 152 ILE CG2 C 19.967 0.300 1 1743 152 152 ILE HG2 H 0.783 0.030 1 1744 152 152 ILE CD1 C 7.352 0.300 1 1745 152 152 ILE HD1 H 0.249 0.030 1 1746 152 152 ILE C C 177.620 0.300 1 1747 153 153 THR N N 117.351 0.300 1 1748 153 153 THR H H 8.017 0.030 1 1749 153 153 THR CA C 67.378 0.300 1 1750 153 153 THR HA H 4.392 0.030 1 1751 153 153 THR CB C 68.859 0.300 1 1752 153 153 THR HB H 4.214 0.030 1 1753 153 153 THR CG2 C 20.008 0.300 1 1754 153 153 THR HG2 H 1.191 0.030 1 1755 153 153 THR C C 176.448 0.300 1 1756 154 154 HIS N N 122.127 0.300 1 1757 154 154 HIS H H 7.321 0.030 1 1758 154 154 HIS CA C 59.103 0.300 1 1759 154 154 HIS HA H 4.434 0.030 1 1760 154 154 HIS CB C 27.630 0.300 1 1761 154 154 HIS HB2 H 3.286 0.030 2 1762 154 154 HIS HB3 H 2.762 0.030 2 1763 154 154 HIS CD2 C 127.973 0.300 1 1764 154 154 HIS HD2 H 6.432 0.030 1 1765 154 154 HIS CE1 C 136.070 0.300 1 1766 154 154 HIS HE1 H 7.267 0.030 1 1767 154 154 HIS C C 176.348 0.300 1 1768 155 155 LEU N N 117.898 0.300 1 1769 155 155 LEU H H 8.600 0.030 1 1770 155 155 LEU CA C 57.448 0.300 1 1771 155 155 LEU HA H 3.629 0.030 1 1772 155 155 LEU CB C 40.230 0.300 1 1773 155 155 LEU HB2 H 1.738 0.030 2 1774 155 155 LEU HB3 H 1.083 0.030 2 1775 155 155 LEU CG C 25.805 0.300 1 1776 155 155 LEU HG H 1.634 0.030 1 1777 155 155 LEU CD1 C 23.962 0.300 2 1778 155 155 LEU HD1 H -0.229 0.030 1 1779 155 155 LEU CD2 C 22.415 0.300 2 1780 155 155 LEU HD2 H 0.228 0.030 1 1781 155 155 LEU C C 178.966 0.300 1 1782 156 156 ASN N N 119.122 0.300 1 1783 156 156 ASN H H 9.119 0.030 1 1784 156 156 ASN CA C 57.959 0.300 1 1785 156 156 ASN HA H 4.195 0.030 1 1786 156 156 ASN CB C 39.741 0.300 1 1787 156 156 ASN HB2 H 3.046 0.030 2 1788 156 156 ASN HB3 H 3.166 0.030 2 1789 156 156 ASN ND2 N 113.582 0.300 1 1790 156 156 ASN HD21 H 7.306 0.030 2 1791 156 156 ASN HD22 H 8.298 0.030 2 1792 156 156 ASN C C 178.574 0.300 1 1793 157 157 ARG N N 123.318 0.300 1 1794 157 157 ARG H H 8.088 0.030 1 1795 157 157 ARG CA C 60.972 0.300 1 1796 157 157 ARG HA H 3.933 0.030 1 1797 157 157 ARG CB C 29.333 0.300 1 1798 157 157 ARG HB2 H 2.195 0.030 2 1799 157 157 ARG HB3 H 1.883 0.030 2 1800 157 157 ARG CG C 28.403 0.300 1 1801 157 157 ARG HG2 H 1.873 0.030 2 1802 157 157 ARG HG3 H 1.562 0.030 2 1803 157 157 ARG CD C 43.238 0.300 1 1804 157 157 ARG HD2 H 3.252 0.030 2 1805 157 157 ARG HD3 H 3.151 0.030 2 1806 157 157 ARG C C 179.845 0.300 1 1807 158 158 VAL N N 120.070 0.300 1 1808 158 158 VAL H H 8.273 0.030 1 1809 158 158 VAL CA C 67.289 0.300 1 1810 158 158 VAL HA H 3.410 0.030 1 1811 158 158 VAL CB C 31.466 0.300 1 1812 158 158 VAL HB H 2.376 0.030 1 1813 158 158 VAL CG1 C 23.521 0.300 2 1814 158 158 VAL HG1 H 1.062 0.030 1 1815 158 158 VAL CG2 C 22.613 0.300 2 1816 158 158 VAL HG2 H 0.717 0.030 1 1817 158 158 VAL C C 179.504 0.300 1 1818 159 159 SER N N 116.432 0.300 1 1819 159 159 SER H H 8.461 0.030 1 1820 159 159 SER CA C 60.879 0.300 1 1821 159 159 SER HA H 5.105 0.030 1 1822 159 159 SER CB C 63.054 0.300 1 1823 159 159 SER HB2 H 4.032 0.030 2 1824 159 159 SER HB3 H 3.928 0.030 2 1825 159 159 SER C C 176.947 0.300 1 1826 160 160 GLN N N 122.128 0.300 1 1827 160 160 GLN H H 7.766 0.030 1 1828 160 160 GLN CA C 58.068 0.300 1 1829 160 160 GLN HA H 4.420 0.030 1 1830 160 160 GLN CB C 28.290 0.300 1 1831 160 160 GLN HB2 H 2.208 0.030 2 1832 160 160 GLN HB3 H 2.342 0.030 2 1833 160 160 GLN CG C 33.795 0.300 1 1834 160 160 GLN HG2 H 2.636 0.030 2 1835 160 160 GLN HG3 H 2.728 0.030 2 1836 160 160 GLN NE2 N 112.244 0.300 1 1837 160 160 GLN HE21 H 7.166 0.030 2 1838 160 160 GLN HE22 H 6.957 0.030 2 1839 160 160 GLN C C 178.673 0.300 1 1840 161 161 GLN N N 116.324 0.300 1 1841 161 161 GLN H H 7.767 0.030 1 1842 161 161 GLN CA C 53.879 0.300 1 1843 161 161 GLN HA H 4.745 0.030 1 1844 161 161 GLN CB C 27.193 0.300 1 1845 161 161 GLN HB2 H 2.698 0.030 2 1846 161 161 GLN HB3 H 1.883 0.030 2 1847 161 161 GLN CG C 32.809 0.300 1 1848 161 161 GLN HG2 H 2.325 0.030 1 1849 161 161 GLN HG3 H 2.325 0.030 1 1850 161 161 GLN NE2 N 112.199 0.300 1 1851 161 161 GLN HE21 H 7.416 0.030 2 1852 161 161 GLN HE22 H 6.758 0.030 2 1853 161 161 GLN C C 177.055 0.300 1 1854 162 162 HIS N N 120.344 0.300 1 1855 162 162 HIS H H 7.552 0.030 1 1856 162 162 HIS CA C 59.106 0.300 1 1857 162 162 HIS HA H 4.720 0.030 1 1858 162 162 HIS CB C 28.624 0.300 1 1859 162 162 HIS HB2 H 2.901 0.030 2 1860 162 162 HIS HB3 H 3.541 0.030 2 1861 162 162 HIS HD2 H 7.269 0.030 1 1862 162 162 HIS CE1 C 138.322 0.300 1 1863 162 162 HIS HE1 H 7.768 0.030 1 1864 162 162 HIS C C 177.253 0.300 1 1865 163 163 LYS N N 121.768 0.300 1 1866 163 163 LYS H H 8.085 0.030 1 1867 163 163 LYS CA C 59.159 0.300 1 1868 163 163 LYS HA H 3.883 0.030 1 1869 163 163 LYS CB C 31.685 0.300 1 1870 163 163 LYS HB2 H 1.498 0.030 2 1871 163 163 LYS HB3 H 1.669 0.030 2 1872 163 163 LYS CG C 25.529 0.300 1 1873 163 163 LYS HG2 H 1.127 0.030 2 1874 163 163 LYS HG3 H 1.170 0.030 2 1875 163 163 LYS CD C 28.870 0.300 1 1876 163 163 LYS HD2 H 1.597 0.030 2 1877 163 163 LYS HD3 H 1.639 0.030 2 1878 163 163 LYS CE C 41.967 0.300 1 1879 163 163 LYS HE2 H 2.990 0.030 1 1880 163 163 LYS HE3 H 2.990 0.030 1 1881 163 163 LYS C C 176.929 0.300 1 1882 164 164 ILE N N 115.285 0.300 1 1883 164 164 ILE H H 7.846 0.030 1 1884 164 164 ILE CA C 62.010 0.300 1 1885 164 164 ILE HA H 4.194 0.030 1 1886 164 164 ILE CB C 39.883 0.300 1 1887 164 164 ILE HB H 1.849 0.030 1 1888 164 164 ILE CG1 C 27.940 0.300 1 1889 164 164 ILE HG12 H 1.172 0.030 2 1890 164 164 ILE HG13 H 1.518 0.030 2 1891 164 164 ILE CG2 C 18.132 0.300 1 1892 164 164 ILE HG2 H 1.044 0.030 1 1893 164 164 ILE CD1 C 12.990 0.300 1 1894 164 164 ILE HD1 H 0.919 0.030 1 1895 164 164 ILE C C 176.111 0.300 1 1896 165 165 ASN N N 114.678 0.300 1 1897 165 165 ASN H H 8.269 0.030 1 1898 165 165 ASN CA C 53.479 0.300 1 1899 165 165 ASN HA H 4.329 0.030 1 1900 165 165 ASN CB C 38.563 0.300 1 1901 165 165 ASN HB2 H 3.446 0.030 2 1902 165 165 ASN HB3 H 2.272 0.030 2 1903 165 165 ASN ND2 N 111.569 0.300 1 1904 165 165 ASN HD21 H 8.074 0.030 2 1905 165 165 ASN HD22 H 7.132 0.030 2 1906 165 165 ASN C C 176.082 0.300 1 1907 166 166 LEU N N 112.237 0.300 1 1908 166 166 LEU H H 8.055 0.030 1 1909 166 166 LEU CA C 57.170 0.300 1 1910 166 166 LEU HA H 4.295 0.030 1 1911 166 166 LEU CB C 39.342 0.300 1 1912 166 166 LEU HB2 H 2.338 0.030 2 1913 166 166 LEU HB3 H 1.732 0.030 2 1914 166 166 LEU CG C 27.341 0.300 1 1915 166 166 LEU HG H 1.476 0.030 1 1916 166 166 LEU CD1 C 25.615 0.300 2 1917 166 166 LEU HD1 H 0.891 0.030 1 1918 166 166 LEU CD2 C 22.073 0.300 2 1919 166 166 LEU HD2 H 0.871 0.030 1 1920 166 166 LEU C C 177.798 0.300 1 1921 167 167 MET N N 123.207 0.300 1 1922 167 167 MET H H 9.405 0.030 1 1923 167 167 MET CA C 52.945 0.300 1 1924 167 167 MET HA H 5.098 0.030 1 1925 167 167 MET CB C 26.915 0.300 1 1926 167 167 MET HB2 H 2.033 0.030 2 1927 167 167 MET HB3 H 1.564 0.030 2 1928 167 167 MET CG C 29.537 0.300 1 1929 167 167 MET HG2 H 2.587 0.030 2 1930 167 167 MET HG3 H 3.441 0.030 2 1931 167 167 MET CE C 15.724 0.300 1 1932 167 167 MET HE H 1.973 0.030 1 1933 167 167 MET C C 173.553 0.300 1 1934 168 168 THR N N 107.515 0.300 1 1935 168 168 THR H H 6.669 0.030 1 1936 168 168 THR CA C 60.872 0.300 1 1937 168 168 THR HA H 4.151 0.030 1 1938 168 168 THR CB C 71.052 0.300 1 1939 168 168 THR HB H 4.519 0.030 1 1940 168 168 THR CG2 C 22.756 0.300 1 1941 168 168 THR HG2 H 1.097 0.030 1 1942 168 168 THR C C 175.194 0.300 1 1943 169 169 ALA N N 122.312 0.300 1 1944 169 169 ALA H H 9.263 0.030 1 1945 169 169 ALA CA C 56.548 0.300 1 1946 169 169 ALA HA H 4.001 0.030 1 1947 169 169 ALA CB C 18.235 0.300 1 1948 169 169 ALA HB H 1.665 0.030 1 1949 169 169 ALA C C 179.197 0.300 1 1950 170 170 ASP N N 116.992 0.300 1 1951 170 170 ASP H H 8.718 0.030 1 1952 170 170 ASP CA C 57.341 0.300 1 1953 170 170 ASP HA H 4.364 0.030 1 1954 170 170 ASP CB C 40.916 0.300 1 1955 170 170 ASP HB2 H 2.796 0.030 2 1956 170 170 ASP HB3 H 2.472 0.030 2 1957 170 170 ASP C C 177.525 0.300 1 1958 171 171 ASN N N 118.322 0.300 1 1959 171 171 ASN H H 7.600 0.030 1 1960 171 171 ASN CA C 55.956 0.300 1 1961 171 171 ASN HA H 4.590 0.030 1 1962 171 171 ASN CB C 37.837 0.300 1 1963 171 171 ASN HB2 H 2.798 0.030 2 1964 171 171 ASN HB3 H 3.029 0.030 2 1965 171 171 ASN ND2 N 110.251 0.300 1 1966 171 171 ASN HD21 H 7.258 0.030 2 1967 171 171 ASN HD22 H 7.589 0.030 2 1968 171 171 ASN C C 179.386 0.300 1 1969 172 172 LEU N N 121.266 0.300 1 1970 172 172 LEU H H 8.865 0.030 1 1971 172 172 LEU CA C 58.050 0.300 1 1972 172 172 LEU HA H 4.126 0.030 1 1973 172 172 LEU CB C 42.961 0.300 1 1974 172 172 LEU HB2 H 2.037 0.030 2 1975 172 172 LEU HB3 H 1.220 0.030 2 1976 172 172 LEU CG C 27.361 0.300 1 1977 172 172 LEU HG H 1.654 0.030 1 1978 172 172 LEU CD1 C 27.429 0.300 2 1979 172 172 LEU HD1 H 0.883 0.030 1 1980 172 172 LEU CD2 C 23.472 0.300 2 1981 172 172 LEU HD2 H 1.056 0.030 1 1982 172 172 LEU C C 178.767 0.300 1 1983 173 173 SER N N 115.483 0.300 1 1984 173 173 SER H H 8.677 0.030 1 1985 173 173 SER CA C 61.658 0.300 1 1986 173 173 SER HA H 4.194 0.030 1 1987 173 173 SER CB C 62.601 0.300 1 1988 173 173 SER HB2 H 3.928 0.030 2 1989 173 173 SER HB3 H 4.572 0.030 2 1990 173 173 SER C C 178.027 0.300 1 1991 174 174 ILE N N 119.992 0.300 1 1992 174 174 ILE H H 8.556 0.030 1 1993 174 174 ILE CA C 67.021 0.300 1 1994 174 174 ILE HA H 3.776 0.030 1 1995 174 174 ILE CB C 38.678 0.300 1 1996 174 174 ILE HB H 2.108 0.030 1 1997 174 174 ILE CG1 C 30.205 0.300 1 1998 174 174 ILE HG12 H 1.991 0.030 2 1999 174 174 ILE HG13 H 1.096 0.030 2 2000 174 174 ILE CG2 C 17.108 0.300 1 2001 174 174 ILE HG2 H 0.997 0.030 1 2002 174 174 ILE CD1 C 14.039 0.300 1 2003 174 174 ILE HD1 H 0.969 0.030 1 2004 174 174 ILE C C 177.207 0.300 1 2005 175 175 CYS N N 111.783 0.300 1 2006 175 175 CYS H H 7.196 0.030 1 2007 175 175 CYS CA C 61.529 0.300 1 2008 175 175 CYS HA H 4.290 0.030 1 2009 175 175 CYS CB C 28.209 0.300 1 2010 175 175 CYS HB2 H 3.185 0.030 2 2011 175 175 CYS HB3 H 2.638 0.030 2 2012 175 175 CYS C C 176.010 0.300 1 2013 176 176 PHE N N 117.691 0.300 1 2014 176 176 PHE H H 8.437 0.030 1 2015 176 176 PHE CA C 61.307 0.300 1 2016 176 176 PHE HA H 4.514 0.030 1 2017 176 176 PHE CB C 42.352 0.300 1 2018 176 176 PHE HB2 H 2.990 0.030 2 2019 176 176 PHE HB3 H 2.724 0.030 2 2020 176 176 PHE CD1 C 130.164 0.300 1 2021 176 176 PHE HD1 H 7.051 0.030 1 2022 176 176 PHE CD2 C 130.164 0.300 1 2023 176 176 PHE HD2 H 7.051 0.030 1 2024 176 176 PHE CE1 C 131.345 0.300 1 2025 176 176 PHE HE1 H 6.592 0.030 1 2026 176 176 PHE CE2 C 131.345 0.300 1 2027 176 176 PHE HE2 H 6.592 0.030 1 2028 176 176 PHE CZ C 129.710 0.300 1 2029 176 176 PHE HZ H 6.550 0.030 1 2030 176 176 PHE C C 177.637 0.300 1 2031 177 177 TRP N N 125.559 0.300 1 2032 177 177 TRP H H 10.742 0.030 1 2033 177 177 TRP CA C 63.864 0.300 1 2034 177 177 TRP HA H 4.481 0.030 1 2035 177 177 TRP CB C 27.032 0.300 1 2036 177 177 TRP HB2 H 3.599 0.030 2 2037 177 177 TRP HB3 H 3.506 0.030 2 2038 177 177 TRP CD1 C 128.318 0.300 1 2039 177 177 TRP HD1 H 7.522 0.030 1 2040 177 177 TRP NE1 N 130.320 0.300 1 2041 177 177 TRP HE1 H 10.912 0.030 1 2042 177 177 TRP CE3 C 121.367 0.300 1 2043 177 177 TRP HE3 H 7.399 0.030 1 2044 177 177 TRP CZ2 C 114.976 0.300 1 2045 177 177 TRP HZ2 H 7.552 0.030 1 2046 177 177 TRP CZ3 C 120.675 0.300 1 2047 177 177 TRP HZ3 H 6.608 0.030 1 2048 177 177 TRP CH2 C 123.716 0.300 1 2049 177 177 TRP HH2 H 6.958 0.030 1 2050 177 177 TRP C C 175.241 0.300 1 2051 178 178 PRO CA C 65.492 0.300 1 2052 178 178 PRO HA H 3.603 0.030 1 2053 178 178 PRO CB C 30.682 0.300 1 2054 178 178 PRO HB2 H 1.459 0.030 2 2055 178 178 PRO HB3 H 1.675 0.030 2 2056 178 178 PRO CG C 27.530 0.300 1 2057 178 178 PRO HG2 H -0.315 0.030 2 2058 178 178 PRO HG3 H 1.414 0.030 2 2059 178 178 PRO CD C 50.565 0.300 1 2060 178 178 PRO HD2 H 2.576 0.030 2 2061 178 178 PRO HD3 H 2.852 0.030 2 2062 178 178 PRO C C 179.309 0.300 1 2063 179 179 THR N N 113.044 0.300 1 2064 179 179 THR H H 7.125 0.030 1 2065 179 179 THR CA C 66.005 0.300 1 2066 179 179 THR HA H 4.026 0.030 1 2067 179 179 THR CB C 68.945 0.300 1 2068 179 179 THR HB H 4.139 0.030 1 2069 179 179 THR CG2 C 23.128 0.300 1 2070 179 179 THR HG2 H 1.339 0.030 1 2071 179 179 THR C C 176.661 0.300 1 2072 180 180 LEU N N 118.737 0.300 1 2073 180 180 LEU H H 8.405 0.030 1 2074 180 180 LEU CA C 57.025 0.300 1 2075 180 180 LEU HA H 4.279 0.030 1 2076 180 180 LEU CB C 42.547 0.300 1 2077 180 180 LEU HB2 H 1.900 0.030 2 2078 180 180 LEU HB3 H 1.451 0.030 2 2079 180 180 LEU CG C 26.190 0.300 1 2080 180 180 LEU HG H 2.200 0.030 1 2081 180 180 LEU CD1 C 25.250 0.300 2 2082 180 180 LEU HD1 H 0.789 0.030 1 2083 180 180 LEU CD2 C 21.244 0.300 2 2084 180 180 LEU HD2 H 0.623 0.030 1 2085 180 180 LEU C C 174.964 0.300 1 2086 181 181 MET N N 112.923 0.300 1 2087 181 181 MET H H 8.248 0.030 1 2088 181 181 MET CA C 56.502 0.300 1 2089 181 181 MET HA H 4.528 0.030 1 2090 181 181 MET CB C 35.162 0.300 1 2091 181 181 MET HB2 H 1.957 0.030 1 2092 181 181 MET HB3 H 1.957 0.030 1 2093 181 181 MET CG C 35.139 0.300 1 2094 181 181 MET HG2 H 2.247 0.030 2 2095 181 181 MET HG3 H 2.445 0.030 2 2096 181 181 MET CE C 16.710 0.300 1 2097 181 181 MET HE H 1.381 0.030 1 2098 181 181 MET C C 173.445 0.300 1 2099 182 182 ARG N N 117.280 0.300 1 2100 182 182 ARG H H 7.420 0.030 1 2101 182 182 ARG CA C 55.791 0.300 1 2102 182 182 ARG HA H 4.218 0.030 1 2103 182 182 ARG CB C 30.259 0.300 1 2104 182 182 ARG HB2 H 1.955 0.030 1 2105 182 182 ARG HB3 H 1.955 0.030 1 2106 182 182 ARG CG C 27.051 0.300 1 2107 182 182 ARG HG2 H 1.645 0.030 2 2108 182 182 ARG HG3 H 1.930 0.030 2 2109 182 182 ARG CD C 44.044 0.300 1 2110 182 182 ARG HD2 H 3.361 0.030 2 2111 182 182 ARG HD3 H 3.175 0.030 2 2112 182 182 ARG NE N 85.634 0.300 1 2113 182 182 ARG HE H 8.067 0.030 1 2114 183 183 PRO CA C 62.803 0.300 1 2115 183 183 PRO HA H 4.651 0.030 1 2116 183 183 PRO CB C 32.547 0.300 1 2117 183 183 PRO HB2 H 1.991 0.030 2 2118 183 183 PRO HB3 H 1.349 0.030 2 2119 183 183 PRO CG C 27.324 0.300 1 2120 183 183 PRO HG2 H 1.645 0.030 1 2121 183 183 PRO HG3 H 1.645 0.030 1 2122 183 183 PRO CD C 50.451 0.300 1 2123 183 183 PRO HD2 H 3.836 0.030 2 2124 183 183 PRO HD3 H 3.571 0.030 2 2125 183 183 PRO C C 176.046 0.300 1 2126 184 184 ASP N N 119.350 0.300 1 2127 184 184 ASP H H 8.470 0.030 1 2128 184 184 ASP CA C 53.017 0.300 1 2129 184 184 ASP HA H 4.585 0.030 1 2130 184 184 ASP CB C 40.608 0.300 1 2131 184 184 ASP HB2 H 2.767 0.030 2 2132 184 184 ASP HB3 H 2.539 0.030 2 2133 184 184 ASP C C 176.567 0.300 1 2134 185 185 PHE N N 122.413 0.300 1 2135 185 185 PHE H H 8.134 0.030 1 2136 185 185 PHE CA C 58.739 0.300 1 2137 185 185 PHE HA H 4.208 0.030 1 2138 185 185 PHE CB C 39.102 0.300 1 2139 185 185 PHE HB2 H 3.118 0.030 2 2140 185 185 PHE HB3 H 2.902 0.030 2 2141 185 185 PHE CD1 C 131.680 0.300 1 2142 185 185 PHE HD1 H 7.147 0.030 1 2143 185 185 PHE CD2 C 131.680 0.300 1 2144 185 185 PHE HD2 H 7.147 0.030 1 2145 185 185 PHE CE1 C 131.319 0.300 1 2146 185 185 PHE HE1 H 7.231 0.030 1 2147 185 185 PHE CE2 C 131.319 0.300 1 2148 185 185 PHE HE2 H 7.231 0.030 1 2149 185 185 PHE CZ C 129.424 0.300 1 2150 185 185 PHE HZ H 7.055 0.030 1 2151 185 185 PHE C C 176.271 0.300 1 2152 186 186 GLU N N 118.339 0.300 1 2153 186 186 GLU H H 8.353 0.030 1 2154 186 186 GLU CA C 57.133 0.300 1 2155 186 186 GLU HA H 4.209 0.030 1 2156 186 186 GLU CB C 29.647 0.300 1 2157 186 186 GLU HB2 H 2.007 0.030 2 2158 186 186 GLU HB3 H 2.112 0.030 2 2159 186 186 GLU CG C 36.531 0.300 1 2160 186 186 GLU HG2 H 2.205 0.030 2 2161 186 186 GLU HG3 H 2.250 0.030 2 2162 186 186 GLU C C 176.706 0.300 1 2163 187 187 ASN N N 118.428 0.300 1 2164 187 187 ASN H H 7.904 0.030 1 2165 187 187 ASN CA C 53.510 0.300 1 2166 187 187 ASN HA H 4.700 0.030 1 2167 187 187 ASN CB C 39.084 0.300 1 2168 187 187 ASN HB2 H 2.830 0.030 2 2169 187 187 ASN HB3 H 2.999 0.030 2 2170 187 187 ASN ND2 N 113.864 0.300 1 2171 187 187 ASN HD21 H 7.951 0.030 2 2172 187 187 ASN HD22 H 7.034 0.030 2 2173 187 187 ASN C C 176.042 0.300 1 2174 188 188 ARG N N 119.752 0.300 1 2175 188 188 ARG H H 8.554 0.030 1 2176 188 188 ARG CA C 57.804 0.300 1 2177 188 188 ARG HA H 4.220 0.030 1 2178 188 188 ARG CB C 30.392 0.300 1 2179 188 188 ARG HB2 H 1.908 0.030 1 2180 188 188 ARG HB3 H 1.908 0.030 1 2181 188 188 ARG CG C 27.182 0.300 1 2182 188 188 ARG HG2 H 1.699 0.030 1 2183 188 188 ARG HG3 H 1.699 0.030 1 2184 188 188 ARG CD C 43.203 0.300 1 2185 188 188 ARG HD2 H 3.216 0.030 1 2186 188 188 ARG HD3 H 3.216 0.030 1 2187 188 188 ARG C C 177.168 0.300 1 2188 189 189 GLU N N 119.765 0.300 1 2189 189 189 GLU H H 8.555 0.030 1 2190 189 189 GLU CA C 57.510 0.300 1 2191 189 189 GLU HA H 4.269 0.030 1 2192 189 189 GLU CB C 29.529 0.300 1 2193 189 189 GLU HB2 H 1.907 0.030 2 2194 189 189 GLU HB3 H 2.028 0.030 2 2195 189 189 GLU CG C 36.448 0.300 1 2196 189 189 GLU HG2 H 2.147 0.030 2 2197 189 189 GLU HG3 H 2.227 0.030 2 2198 189 189 GLU C C 177.277 0.300 1 2199 190 190 PHE N N 120.132 0.300 1 2200 190 190 PHE H H 8.082 0.030 1 2201 190 190 PHE CA C 59.478 0.300 1 2202 190 190 PHE HA H 4.493 0.030 1 2203 190 190 PHE CB C 39.358 0.300 1 2204 190 190 PHE HB2 H 3.199 0.030 1 2205 190 190 PHE HB3 H 3.199 0.030 1 2206 190 190 PHE CD1 C 131.842 0.300 1 2207 190 190 PHE HD1 H 7.241 0.030 1 2208 190 190 PHE CD2 C 131.842 0.300 1 2209 190 190 PHE HD2 H 7.241 0.030 1 2210 190 190 PHE CE1 C 129.817 0.300 1 2211 190 190 PHE HE1 H 7.231 0.030 1 2212 190 190 PHE CE2 C 129.817 0.300 1 2213 190 190 PHE HE2 H 7.231 0.030 1 2214 190 190 PHE C C 176.907 0.300 1 2215 191 191 LEU N N 121.489 0.300 1 2216 191 191 LEU H H 8.217 0.030 1 2217 191 191 LEU CA C 56.783 0.300 1 2218 191 191 LEU HA H 4.162 0.030 1 2219 191 191 LEU CB C 41.803 0.300 1 2220 191 191 LEU HB2 H 1.764 0.030 2 2221 191 191 LEU HB3 H 1.628 0.030 2 2222 191 191 LEU CG C 27.085 0.300 1 2223 191 191 LEU HG H 1.695 0.030 1 2224 191 191 LEU CD1 C 25.088 0.300 2 2225 191 191 LEU HD1 H 0.960 0.030 1 2226 191 191 LEU CD2 C 23.633 0.300 2 2227 191 191 LEU HD2 H 0.924 0.030 1 2228 191 191 LEU C C 178.448 0.300 1 2229 192 192 SER H H 6.991 0.030 1 2230 193 193 THR H H 7.572 0.030 1 2231 193 193 THR HA H 3.974 0.030 1 2232 193 193 THR CB C 68.762 0.300 1 2233 193 193 THR HB H 4.329 0.030 1 2234 193 193 THR CG2 C 22.276 0.300 1 2235 193 193 THR HG2 H 1.266 0.030 1 2236 194 194 THR N N 112.462 0.300 1 2237 194 194 THR H H 7.918 0.030 1 2238 194 194 THR CA C 62.216 0.300 1 2239 194 194 THR HA H 4.497 0.030 1 2240 194 194 THR CB C 69.573 0.300 1 2241 194 194 THR HB H 4.338 0.030 1 2242 194 194 THR CG2 C 21.490 0.300 1 2243 194 194 THR HG2 H 1.203 0.030 1 2244 196 196 ILE H H 7.664 0.030 1 2245 196 196 ILE CA C 63.349 0.300 1 2246 196 196 ILE HA H 3.747 0.030 1 2247 196 196 ILE CB C 36.507 0.300 1 2248 196 196 ILE HB H 1.775 0.030 1 2249 196 196 ILE CG1 C 27.729 0.300 1 2250 196 196 ILE HG12 H 1.151 0.030 2 2251 196 196 ILE HG13 H 1.411 0.030 2 2252 196 196 ILE CG2 C 19.284 0.300 1 2253 196 196 ILE HG2 H 0.771 0.030 1 2254 196 196 ILE CD1 C 11.893 0.300 1 2255 196 196 ILE HD1 H 0.734 0.030 1 2256 197 197 HIS H H 7.519 0.030 1 2257 197 197 HIS CA C 61.324 0.300 1 2258 197 197 HIS HA H 3.485 0.030 1 2259 197 197 HIS CB C 27.728 0.300 1 2260 197 197 HIS HB2 H 1.411 0.030 2 2261 197 197 HIS HB3 H 2.030 0.030 2 2262 197 197 HIS HD2 H 6.745 0.030 1 2263 197 197 HIS CE1 C 138.301 0.300 1 2264 197 197 HIS HE1 H 7.526 0.030 1 2265 197 197 HIS C C 176.916 0.300 1 2266 198 198 GLN N N 116.351 0.300 1 2267 198 198 GLN H H 7.346 0.030 1 2268 198 198 GLN CA C 58.163 0.300 1 2269 198 198 GLN HA H 3.562 0.030 1 2270 198 198 GLN CB C 28.954 0.300 1 2271 198 198 GLN HB2 H 1.999 0.030 2 2272 198 198 GLN HB3 H 1.936 0.030 2 2273 198 198 GLN CG C 32.928 0.300 1 2274 198 198 GLN HG2 H 2.278 0.030 2 2275 198 198 GLN HG3 H 2.422 0.030 2 2276 198 198 GLN NE2 N 116.305 0.300 1 2277 198 198 GLN HE21 H 6.787 0.030 2 2278 198 198 GLN HE22 H 8.793 0.030 2 2279 198 198 GLN C C 179.936 0.300 1 2280 199 199 SER N N 116.420 0.300 1 2281 199 199 SER H H 7.972 0.030 1 2282 199 199 SER CA C 61.059 0.300 1 2283 199 199 SER HA H 4.479 0.030 1 2284 199 199 SER CB C 62.914 0.300 1 2285 199 199 SER HB2 H 4.021 0.030 1 2286 199 199 SER HB3 H 4.021 0.030 1 2287 199 199 SER C C 177.271 0.300 1 2288 200 200 VAL N N 124.660 0.300 1 2289 200 200 VAL H H 8.210 0.030 1 2290 200 200 VAL CA C 67.445 0.300 1 2291 200 200 VAL HA H 3.407 0.030 1 2292 200 200 VAL CB C 31.566 0.300 1 2293 200 200 VAL HB H 2.318 0.030 1 2294 200 200 VAL CG1 C 22.140 0.300 2 2295 200 200 VAL HG1 H 0.938 0.030 1 2296 200 200 VAL CG2 C 24.333 0.300 2 2297 200 200 VAL HG2 H 0.889 0.030 1 2298 200 200 VAL C C 176.940 0.300 1 2299 201 201 VAL N N 117.153 0.300 1 2300 201 201 VAL H H 7.269 0.030 1 2301 201 201 VAL CA C 68.213 0.300 1 2302 201 201 VAL HA H 3.850 0.030 1 2303 201 201 VAL CB C 30.908 0.300 1 2304 201 201 VAL HB H 2.673 0.030 1 2305 201 201 VAL CG1 C 21.797 0.300 2 2306 201 201 VAL HG1 H 0.989 0.030 1 2307 201 201 VAL CG2 C 24.824 0.300 2 2308 201 201 VAL HG2 H 1.200 0.030 1 2309 201 201 VAL C C 177.020 0.300 1 2310 202 202 GLU N N 120.150 0.300 1 2311 202 202 GLU H H 8.306 0.030 1 2312 202 202 GLU CA C 60.663 0.300 1 2313 202 202 GLU HA H 3.764 0.030 1 2314 202 202 GLU CB C 30.098 0.300 1 2315 202 202 GLU HB2 H 2.487 0.030 2 2316 202 202 GLU HB3 H 2.138 0.030 2 2317 202 202 GLU CG C 35.294 0.300 1 2318 202 202 GLU HG2 H 2.052 0.030 1 2319 202 202 GLU HG3 H 2.052 0.030 1 2320 202 202 GLU C C 177.579 0.300 1 2321 203 203 THR N N 115.369 0.300 1 2322 203 203 THR H H 8.213 0.030 1 2323 203 203 THR CA C 67.401 0.300 1 2324 203 203 THR HA H 4.014 0.030 1 2325 203 203 THR CB C 68.222 0.300 1 2326 203 203 THR HB H 4.255 0.030 1 2327 203 203 THR CG2 C 22.092 0.300 1 2328 203 203 THR HG2 H 1.101 0.030 1 2329 203 203 THR C C 176.383 0.300 1 2330 204 204 PHE N N 119.928 0.300 1 2331 204 204 PHE H H 7.893 0.030 1 2332 204 204 PHE CA C 62.437 0.300 1 2333 204 204 PHE HA H 4.323 0.030 1 2334 204 204 PHE CB C 38.418 0.300 1 2335 204 204 PHE HB2 H 2.999 0.030 2 2336 204 204 PHE HB3 H 2.817 0.030 2 2337 204 204 PHE CD1 C 131.325 0.300 1 2338 204 204 PHE HD1 H 6.767 0.030 1 2339 204 204 PHE CD2 C 131.325 0.300 1 2340 204 204 PHE HD2 H 6.767 0.030 1 2341 204 204 PHE CE1 C 129.887 0.300 1 2342 204 204 PHE HE1 H 6.447 0.030 1 2343 204 204 PHE CE2 C 129.887 0.300 1 2344 204 204 PHE HE2 H 6.447 0.030 1 2345 204 204 PHE CZ C 128.257 0.300 1 2346 204 204 PHE HZ H 6.702 0.030 1 2347 204 204 PHE C C 175.738 0.300 1 2348 205 205 ILE N N 113.633 0.300 1 2349 205 205 ILE H H 7.678 0.030 1 2350 205 205 ILE CA C 66.314 0.300 1 2351 205 205 ILE HA H 3.618 0.030 1 2352 205 205 ILE CB C 38.921 0.300 1 2353 205 205 ILE HB H 1.988 0.030 1 2354 205 205 ILE CG1 C 29.087 0.300 1 2355 205 205 ILE HG12 H 0.684 0.030 2 2356 205 205 ILE HG13 H 2.139 0.030 2 2357 205 205 ILE CG2 C 16.414 0.300 1 2358 205 205 ILE HG2 H 0.810 0.030 1 2359 205 205 ILE CD1 C 15.550 0.300 1 2360 205 205 ILE HD1 H 0.771 0.030 1 2361 205 205 ILE C C 178.825 0.300 1 2362 206 206 GLN N N 119.193 0.300 1 2363 206 206 GLN H H 9.036 0.030 1 2364 206 206 GLN CA C 58.865 0.300 1 2365 206 206 GLN HA H 4.197 0.030 1 2366 206 206 GLN CB C 29.982 0.300 1 2367 206 206 GLN HB2 H 2.217 0.030 2 2368 206 206 GLN HB3 H 2.068 0.030 2 2369 206 206 GLN CG C 33.279 0.300 1 2370 206 206 GLN HG2 H 2.418 0.030 2 2371 206 206 GLN HG3 H 2.308 0.030 2 2372 206 206 GLN NE2 N 112.199 0.300 1 2373 206 206 GLN HE21 H 7.522 0.030 2 2374 206 206 GLN HE22 H 6.835 0.030 2 2375 206 206 GLN C C 179.189 0.300 1 2376 207 207 GLN N N 112.971 0.300 1 2377 207 207 GLN H H 8.485 0.030 1 2378 207 207 GLN CA C 53.105 0.300 1 2379 207 207 GLN HA H 4.790 0.030 1 2380 207 207 GLN CB C 24.695 0.300 1 2381 207 207 GLN HB2 H 2.286 0.030 2 2382 207 207 GLN HB3 H 1.968 0.030 2 2383 207 207 GLN CG C 30.865 0.300 1 2384 207 207 GLN HG2 H 2.471 0.030 2 2385 207 207 GLN HG3 H 2.306 0.030 2 2386 207 207 GLN NE2 N 111.210 0.300 1 2387 207 207 GLN HE21 H 7.756 0.030 2 2388 207 207 GLN HE22 H 7.674 0.030 2 2389 207 207 GLN C C 174.380 0.300 1 2390 208 208 CYS N N 121.208 0.300 1 2391 208 208 CYS H H 6.958 0.030 1 2392 208 208 CYS CA C 62.952 0.300 1 2393 208 208 CYS HA H 4.324 0.030 1 2394 208 208 CYS CB C 27.892 0.300 1 2395 208 208 CYS HB2 H 3.350 0.030 2 2396 208 208 CYS HB3 H 3.035 0.030 2 2397 208 208 CYS C C 175.572 0.300 1 2398 209 209 GLN N N 116.008 0.300 1 2399 209 209 GLN H H 9.033 0.030 1 2400 209 209 GLN CA C 59.552 0.300 1 2401 209 209 GLN HA H 4.345 0.030 1 2402 209 209 GLN CB C 28.417 0.300 1 2403 209 209 GLN HB2 H 2.138 0.030 2 2404 209 209 GLN HB3 H 2.213 0.030 2 2405 209 209 GLN CG C 33.989 0.300 1 2406 209 209 GLN HG2 H 2.549 0.030 1 2407 209 209 GLN HG3 H 2.549 0.030 1 2408 209 209 GLN NE2 N 112.178 0.300 1 2409 209 209 GLN HE21 H 7.640 0.030 2 2410 209 209 GLN HE22 H 6.580 0.030 2 2411 209 209 GLN C C 179.832 0.300 1 2412 210 210 PHE N N 122.848 0.300 1 2413 210 210 PHE H H 8.059 0.030 1 2414 210 210 PHE CA C 60.320 0.300 1 2415 210 210 PHE HA H 4.215 0.030 1 2416 210 210 PHE CB C 38.920 0.300 1 2417 210 210 PHE HB2 H 2.735 0.030 1 2418 210 210 PHE HB3 H 2.735 0.030 1 2419 210 210 PHE HD1 H 6.300 0.030 1 2420 210 210 PHE HD2 H 6.300 0.030 1 2421 210 210 PHE CE1 C 128.602 0.300 1 2422 210 210 PHE HE1 H 6.016 0.030 1 2423 210 210 PHE CE2 C 128.602 0.300 1 2424 210 210 PHE HE2 H 6.016 0.030 1 2425 210 210 PHE CZ C 131.484 0.300 1 2426 210 210 PHE HZ H 6.775 0.030 1 2427 210 210 PHE C C 176.582 0.300 1 2428 211 211 PHE N N 115.294 0.300 1 2429 211 211 PHE H H 8.128 0.030 1 2430 211 211 PHE CA C 63.170 0.300 1 2431 211 211 PHE HA H 3.485 0.030 1 2432 211 211 PHE CB C 39.165 0.300 1 2433 211 211 PHE HB2 H 2.151 0.030 2 2434 211 211 PHE HB3 H 1.669 0.030 2 2435 211 211 PHE CD1 C 131.279 0.300 1 2436 211 211 PHE HD1 H 6.956 0.030 1 2437 211 211 PHE CD2 C 131.279 0.300 1 2438 211 211 PHE HD2 H 6.956 0.030 1 2439 211 211 PHE CE1 C 128.959 0.300 1 2440 211 211 PHE HE1 H 6.774 0.030 1 2441 211 211 PHE CE2 C 128.959 0.300 1 2442 211 211 PHE HE2 H 6.774 0.030 1 2443 211 211 PHE CZ C 131.539 0.300 1 2444 211 211 PHE HZ H 7.276 0.030 1 2445 211 211 PHE C C 177.714 0.300 1 2446 212 212 PHE N N 111.049 0.300 1 2447 212 212 PHE H H 8.149 0.030 1 2448 212 212 PHE CA C 58.138 0.300 1 2449 212 212 PHE HA H 4.762 0.030 1 2450 212 212 PHE CB C 41.043 0.300 1 2451 212 212 PHE HB2 H 2.361 0.030 2 2452 212 212 PHE HB3 H 2.425 0.030 2 2453 212 212 PHE CD1 C 131.306 0.300 1 2454 212 212 PHE HD1 H 6.767 0.030 1 2455 212 212 PHE CD2 C 131.306 0.300 1 2456 212 212 PHE HD2 H 6.767 0.030 1 2457 212 212 PHE CE1 C 128.682 0.300 1 2458 212 212 PHE HE1 H 6.530 0.030 1 2459 212 212 PHE CE2 C 128.682 0.300 1 2460 212 212 PHE HE2 H 6.530 0.030 1 2461 212 212 PHE C C 175.705 0.300 1 2462 213 213 TYR N N 117.149 0.300 1 2463 213 213 TYR H H 7.615 0.030 1 2464 213 213 TYR CA C 56.977 0.300 1 2465 213 213 TYR HA H 4.950 0.030 1 2466 213 213 TYR CB C 38.662 0.300 1 2467 213 213 TYR HB2 H 3.537 0.030 2 2468 213 213 TYR HB3 H 2.779 0.030 2 2469 213 213 TYR CD1 C 134.134 0.300 1 2470 213 213 TYR HD1 H 7.186 0.030 1 2471 213 213 TYR CD2 C 134.134 0.300 1 2472 213 213 TYR HD2 H 7.186 0.030 1 2473 213 213 TYR CE1 C 117.378 0.300 1 2474 213 213 TYR HE1 H 6.776 0.030 1 2475 213 213 TYR CE2 C 117.378 0.300 1 2476 213 213 TYR HE2 H 6.776 0.030 1 2477 213 213 TYR C C 175.411 0.300 1 2478 214 214 ASN N N 116.939 0.300 1 2479 214 214 ASN H H 8.616 0.030 1 2480 214 214 ASN CA C 54.414 0.300 1 2481 214 214 ASN HA H 4.384 0.030 1 2482 214 214 ASN CB C 37.259 0.300 1 2483 214 214 ASN HB2 H 3.090 0.030 2 2484 214 214 ASN HB3 H 2.784 0.030 2 2485 214 214 ASN ND2 N 114.141 0.300 1 2486 214 214 ASN HD21 H 6.903 0.030 2 2487 214 214 ASN HD22 H 7.678 0.030 2 2488 214 214 ASN C C 175.187 0.300 1 2489 215 215 GLY N N 104.193 0.300 1 2490 215 215 GLY H H 8.074 0.030 1 2491 215 215 GLY CA C 44.078 0.300 1 2492 215 215 GLY HA2 H 4.454 0.030 2 2493 215 215 GLY HA3 H 3.378 0.030 2 2494 215 215 GLY C C 173.197 0.300 1 2495 216 216 GLU N N 116.896 0.300 1 2496 216 216 GLU H H 8.265 0.030 1 2497 216 216 GLU CA C 55.530 0.300 1 2498 216 216 GLU HA H 4.420 0.030 1 2499 216 216 GLU CB C 30.847 0.300 1 2500 216 216 GLU HB2 H 2.036 0.030 2 2501 216 216 GLU HB3 H 1.803 0.030 2 2502 216 216 GLU CG C 36.318 0.300 1 2503 216 216 GLU HG2 H 2.314 0.030 2 2504 216 216 GLU HG3 H 2.368 0.030 2 2505 216 216 GLU C C 177.544 0.300 1 2506 217 217 ILE N N 124.645 0.300 1 2507 217 217 ILE H H 8.693 0.030 1 2508 217 217 ILE CA C 63.359 0.300 1 2509 217 217 ILE HA H 3.459 0.030 1 2510 217 217 ILE CB C 38.661 0.300 1 2511 217 217 ILE HB H 1.404 0.030 1 2512 217 217 ILE CG1 C 29.620 0.300 1 2513 217 217 ILE HG12 H -0.299 0.030 2 2514 217 217 ILE HG13 H 1.189 0.030 2 2515 217 217 ILE CG2 C 16.973 0.300 1 2516 217 217 ILE HG2 H 0.458 0.030 1 2517 217 217 ILE CD1 C 13.336 0.300 1 2518 217 217 ILE HD1 H 0.334 0.030 1 2519 217 217 ILE C C 176.498 0.300 1 2520 218 218 VAL N N 126.999 0.300 1 2521 218 218 VAL H H 9.058 0.030 1 2522 218 218 VAL CA C 61.237 0.300 1 2523 218 218 VAL HA H 4.366 0.030 1 2524 218 218 VAL CB C 33.492 0.300 1 2525 218 218 VAL HB H 2.142 0.030 1 2526 218 218 VAL CG1 C 21.437 0.300 2 2527 218 218 VAL HG1 H 0.977 0.030 1 2528 218 218 VAL CG2 C 19.637 0.300 2 2529 218 218 VAL HG2 H 0.949 0.030 1 2530 218 218 VAL C C 176.111 0.300 1 2531 219 219 GLU N N 130.511 0.300 1 2532 219 219 GLU H H 8.399 0.030 1 2533 219 219 GLU CA C 58.691 0.300 1 2534 219 219 GLU HA H 3.858 0.030 1 2535 219 219 GLU CB C 30.778 0.300 1 2536 219 219 GLU HB2 H 1.839 0.030 2 2537 219 219 GLU HB3 H 1.961 0.030 2 2538 219 219 GLU CG C 36.589 0.300 1 2539 219 219 GLU HG2 H 2.152 0.030 2 2540 219 219 GLU HG3 H 2.212 0.030 2 2541 219 219 GLU C C 180.848 0.300 1 stop_ save_