data_10128 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second FNIII domain of DSCAML1 protein ; _BMRB_accession_number 10128 _BMRB_flat_file_name bmr10128.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-04 _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 Qin X. . . 2 Hayashi F. . . 3 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" 681 "13C chemical shifts" 503 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the second FNIII domain of DSCAML1 protein' _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 Qin X. . . 2 Hayashi F. . . 3 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 'second FNIII domain of DSCAML1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second FNIII domain of DSCAML1 protein' $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 'FNIII domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSSGSSGISTEEAAPDGPPM DVTLQPVTSQSIQVTWKAPK KELQNGVIRGYQIGYRENSP GSNGQYSIVEMKATGDSEVY TLDNLKKFAQYGVVVQAFNR AGTGPSSSEINATTLESGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 SER 10 THR 11 GLU 12 GLU 13 ALA 14 ALA 15 PRO 16 ASP 17 GLY 18 PRO 19 PRO 20 MET 21 ASP 22 VAL 23 THR 24 LEU 25 GLN 26 PRO 27 VAL 28 THR 29 SER 30 GLN 31 SER 32 ILE 33 GLN 34 VAL 35 THR 36 TRP 37 LYS 38 ALA 39 PRO 40 LYS 41 LYS 42 GLU 43 LEU 44 GLN 45 ASN 46 GLY 47 VAL 48 ILE 49 ARG 50 GLY 51 TYR 52 GLN 53 ILE 54 GLY 55 TYR 56 ARG 57 GLU 58 ASN 59 SER 60 PRO 61 GLY 62 SER 63 ASN 64 GLY 65 GLN 66 TYR 67 SER 68 ILE 69 VAL 70 GLU 71 MET 72 LYS 73 ALA 74 THR 75 GLY 76 ASP 77 SER 78 GLU 79 VAL 80 TYR 81 THR 82 LEU 83 ASP 84 ASN 85 LEU 86 LYS 87 LYS 88 PHE 89 ALA 90 GLN 91 TYR 92 GLY 93 VAL 94 VAL 95 VAL 96 GLN 97 ALA 98 PHE 99 ASN 100 ARG 101 ALA 102 GLY 103 THR 104 GLY 105 PRO 106 SER 107 SER 108 SER 109 GLU 110 ILE 111 ASN 112 ALA 113 THR 114 THR 115 LEU 116 GLU 117 SER 118 GLY 119 PRO 120 SER 121 SER 122 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 1VA9 "Solution Structure Of The Second Fniii Domain Of Dscaml1 Protein" 100.00 122 100.00 100.00 1.45e-80 GB EDL25653 "mCG141917 [Mus musculus]" 70.49 1136 100.00 100.00 2.55e-49 REF XP_008567853 "PREDICTED: LOW QUALITY PROTEIN: Down syndrome cell adhesion molecule-like protein 1 [Galeopterus variegatus]" 92.62 2105 97.35 98.23 5.43e-65 REF XP_009635232 "PREDICTED: Down syndrome cell adhesion molecule-like protein 1 [Egretta garzetta]" 66.39 1071 98.77 98.77 4.32e-44 REF XP_009915740 "PREDICTED: Down syndrome cell adhesion molecule-like protein 1 homolog, partial [Haliaeetus albicilla]" 86.89 152 97.17 98.11 5.25e-67 REF XP_010117466 "PREDICTED: Down syndrome cell adhesion molecule-like protein 1, partial [Chlamydotis macqueenii]" 89.34 211 99.08 100.00 6.53e-71 REF XP_010180789 "PREDICTED: Down syndrome cell adhesion molecule-like protein 1, partial [Mesitornis unicolor]" 92.62 906 97.35 98.23 6.00e-66 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' . . . . plsmid P030623-12 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 1.05 mM '[U-13C; U-15N]' PiNa 20 mM . NaCl 100 mM . d10-DTT 1.0 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 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 'second FNIII domain of DSCAML1 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 4.088 0.030 2 2 1 1 GLY HA3 H 3.909 0.030 2 3 2 2 SER HA H 4.587 0.030 1 4 2 2 SER HB2 H 3.908 0.030 1 5 2 2 SER HB3 H 3.908 0.030 1 6 2 2 SER C C 174.747 0.300 1 7 2 2 SER CA C 58.343 0.300 1 8 2 2 SER CB C 63.922 0.300 1 9 3 3 SER H H 8.582 0.030 1 10 3 3 SER HA H 4.524 0.030 1 11 3 3 SER HB2 H 3.914 0.030 1 12 3 3 SER HB3 H 3.914 0.030 1 13 3 3 SER C C 175.091 0.300 1 14 3 3 SER CA C 58.499 0.300 1 15 3 3 SER CB C 63.784 0.300 1 16 3 3 SER N N 118.104 0.300 1 17 4 4 GLY H H 8.473 0.030 1 18 4 4 GLY HA2 H 4.034 0.030 1 19 4 4 GLY HA3 H 4.034 0.030 1 20 4 4 GLY C C 174.374 0.300 1 21 4 4 GLY CA C 45.436 0.300 1 22 4 4 GLY N N 110.894 0.300 1 23 5 5 SER H H 8.288 0.030 1 24 5 5 SER HA H 4.531 0.030 1 25 5 5 SER HB2 H 3.894 0.030 1 26 5 5 SER HB3 H 3.894 0.030 1 27 5 5 SER C C 174.849 0.300 1 28 5 5 SER CA C 58.384 0.300 1 29 5 5 SER CB C 63.852 0.300 1 30 5 5 SER N N 115.814 0.300 1 31 6 6 SER H H 8.445 0.030 1 32 6 6 SER HA H 4.491 0.030 1 33 6 6 SER HB2 H 3.914 0.030 1 34 6 6 SER HB3 H 3.914 0.030 1 35 6 6 SER C C 174.974 0.300 1 36 6 6 SER CA C 58.547 0.300 1 37 6 6 SER CB C 63.885 0.300 1 38 6 6 SER N N 117.820 0.300 1 39 7 7 GLY H H 8.385 0.030 1 40 7 7 GLY HA2 H 3.966 0.030 1 41 7 7 GLY HA3 H 3.966 0.030 1 42 7 7 GLY C C 173.924 0.300 1 43 7 7 GLY CA C 45.277 0.300 1 44 7 7 GLY N N 110.754 0.300 1 45 8 8 ILE H H 7.971 0.030 1 46 8 8 ILE HA H 4.229 0.030 1 47 8 8 ILE HB H 1.848 0.030 1 48 8 8 ILE HG12 H 1.429 0.030 2 49 8 8 ILE HG13 H 1.144 0.030 2 50 8 8 ILE HG2 H 0.894 0.030 1 51 8 8 ILE HD1 H 0.843 0.030 1 52 8 8 ILE C C 176.381 0.300 1 53 8 8 ILE CA C 61.051 0.300 1 54 8 8 ILE CB C 38.952 0.300 1 55 8 8 ILE CG1 C 27.159 0.300 1 56 8 8 ILE CG2 C 17.508 0.300 1 57 8 8 ILE CD1 C 13.025 0.300 1 58 8 8 ILE N N 119.854 0.300 1 59 9 9 SER H H 8.476 0.030 1 60 9 9 SER HA H 4.556 0.030 1 61 9 9 SER HB2 H 3.868 0.030 1 62 9 9 SER HB3 H 3.868 0.030 1 63 9 9 SER C C 174.698 0.300 1 64 9 9 SER CA C 58.210 0.300 1 65 9 9 SER CB C 63.885 0.300 1 66 9 9 SER N N 120.257 0.300 1 67 10 10 THR H H 8.208 0.030 1 68 10 10 THR HA H 4.348 0.030 1 69 10 10 THR HB H 4.249 0.030 1 70 10 10 THR HG2 H 1.178 0.030 1 71 10 10 THR C C 174.240 0.300 1 72 10 10 THR CA C 61.799 0.300 1 73 10 10 THR CB C 69.660 0.300 1 74 10 10 THR CG2 C 21.642 0.300 1 75 10 10 THR N N 116.063 0.300 1 76 11 11 GLU H H 8.483 0.030 1 77 11 11 GLU HA H 4.330 0.030 1 78 11 11 GLU HB2 H 2.082 0.030 2 79 11 11 GLU HB3 H 1.889 0.030 2 80 11 11 GLU HG2 H 2.277 0.030 1 81 11 11 GLU HG3 H 2.277 0.030 1 82 11 11 GLU C C 175.998 0.300 1 83 11 11 GLU CA C 56.368 0.300 1 84 11 11 GLU CB C 30.377 0.300 1 85 11 11 GLU CG C 36.367 0.300 1 86 11 11 GLU N N 123.171 0.300 1 87 12 12 GLU H H 8.271 0.030 1 88 12 12 GLU HA H 4.378 0.030 1 89 12 12 GLU HB2 H 2.044 0.030 2 90 12 12 GLU HB3 H 1.846 0.030 2 91 12 12 GLU HG2 H 2.345 0.030 2 92 12 12 GLU HG3 H 2.206 0.030 2 93 12 12 GLU C C 174.815 0.300 1 94 12 12 GLU CA C 56.432 0.300 1 95 12 12 GLU CB C 31.462 0.300 1 96 12 12 GLU CG C 36.938 0.300 1 97 12 12 GLU N N 121.294 0.300 1 98 13 13 ALA H H 8.121 0.030 1 99 13 13 ALA HA H 4.464 0.030 1 100 13 13 ALA HB H 1.303 0.030 1 101 13 13 ALA C C 175.106 0.300 1 102 13 13 ALA CA C 50.373 0.300 1 103 13 13 ALA CB C 22.095 0.300 1 104 13 13 ALA N N 123.779 0.300 1 105 14 14 ALA H H 8.446 0.030 1 106 14 14 ALA HA H 4.359 0.030 1 107 14 14 ALA HB H 1.075 0.030 1 108 14 14 ALA C C 174.651 0.300 1 109 14 14 ALA CA C 51.036 0.300 1 110 14 14 ALA CB C 16.207 0.300 1 111 14 14 ALA N N 122.393 0.300 1 112 15 15 PRO HA H 4.414 0.030 1 113 15 15 PRO HB2 H 2.332 0.030 2 114 15 15 PRO HB3 H 1.799 0.030 2 115 15 15 PRO HG2 H 1.996 0.030 2 116 15 15 PRO HG3 H 1.591 0.030 2 117 15 15 PRO HD2 H 3.214 0.030 2 118 15 15 PRO HD3 H 3.818 0.030 2 119 15 15 PRO C C 175.571 0.300 1 120 15 15 PRO CA C 63.556 0.300 1 121 15 15 PRO CB C 32.310 0.300 1 122 15 15 PRO CG C 27.828 0.300 1 123 15 15 PRO CD C 50.247 0.300 1 124 16 16 ASP H H 8.785 0.030 1 125 16 16 ASP HA H 5.031 0.030 1 126 16 16 ASP HB2 H 2.937 0.030 2 127 16 16 ASP HB3 H 2.458 0.030 2 128 16 16 ASP C C 175.382 0.300 1 129 16 16 ASP CA C 53.856 0.300 1 130 16 16 ASP CB C 43.794 0.300 1 131 16 16 ASP N N 119.114 0.300 1 132 17 17 GLY H H 7.108 0.030 1 133 17 17 GLY HA2 H 4.754 0.030 2 134 17 17 GLY HA3 H 3.754 0.030 2 135 17 17 GLY C C 170.342 0.300 1 136 17 17 GLY CA C 43.732 0.300 1 137 17 17 GLY N N 104.464 0.300 1 138 18 18 PRO HA H 5.111 0.030 1 139 18 18 PRO HB2 H 2.028 0.030 2 140 18 18 PRO HB3 H 1.758 0.030 2 141 18 18 PRO HG2 H 2.052 0.030 2 142 18 18 PRO HG3 H 1.918 0.030 2 143 18 18 PRO HD2 H 3.776 0.030 2 144 18 18 PRO HD3 H 3.544 0.030 2 145 18 18 PRO CA C 60.906 0.300 1 146 18 18 PRO CB C 30.620 0.300 1 147 18 18 PRO CG C 25.763 0.300 1 148 18 18 PRO CD C 50.297 0.300 1 149 19 19 PRO HA H 4.340 0.030 1 150 19 19 PRO HB2 H 2.370 0.030 2 151 19 19 PRO HB3 H 1.403 0.030 2 152 19 19 PRO HG2 H 1.578 0.030 1 153 19 19 PRO HG3 H 1.578 0.030 1 154 19 19 PRO HD2 H 3.487 0.030 2 155 19 19 PRO HD3 H 4.228 0.030 2 156 19 19 PRO C C 174.327 0.300 1 157 19 19 PRO CA C 63.285 0.300 1 158 19 19 PRO CB C 32.310 0.300 1 159 19 19 PRO CG C 28.899 0.300 1 160 19 19 PRO CD C 50.687 0.300 1 161 20 20 MET H H 7.887 0.030 1 162 20 20 MET HA H 4.700 0.030 1 163 20 20 MET HB2 H 1.974 0.030 2 164 20 20 MET HB3 H 1.790 0.030 2 165 20 20 MET HG2 H 2.729 0.030 2 166 20 20 MET HG3 H 2.483 0.030 2 167 20 20 MET HE H 2.129 0.030 1 168 20 20 MET C C 174.982 0.300 1 169 20 20 MET CA C 54.064 0.300 1 170 20 20 MET CB C 35.915 0.300 1 171 20 20 MET CG C 32.357 0.300 1 172 20 20 MET CE C 16.500 0.300 1 173 20 20 MET N N 118.821 0.300 1 174 21 21 ASP H H 8.731 0.030 1 175 21 21 ASP HA H 4.216 0.030 1 176 21 21 ASP HB2 H 2.856 0.030 2 177 21 21 ASP HB3 H 2.496 0.030 2 178 21 21 ASP C C 175.231 0.300 1 179 21 21 ASP CA C 54.808 0.300 1 180 21 21 ASP CB C 39.143 0.300 1 181 21 21 ASP N N 117.994 0.300 1 182 22 22 VAL H H 8.212 0.030 1 183 22 22 VAL HA H 4.650 0.030 1 184 22 22 VAL HB H 1.996 0.030 1 185 22 22 VAL HG1 H 0.807 0.030 1 186 22 22 VAL HG2 H 0.827 0.030 1 187 22 22 VAL C C 177.372 0.300 1 188 22 22 VAL CA C 63.935 0.300 1 189 22 22 VAL CB C 30.873 0.300 1 190 22 22 VAL CG1 C 21.330 0.300 2 191 22 22 VAL CG2 C 20.566 0.300 2 192 22 22 VAL N N 120.094 0.300 1 193 23 23 THR H H 9.427 0.030 1 194 23 23 THR HA H 4.574 0.030 1 195 23 23 THR HB H 4.102 0.030 1 196 23 23 THR HG2 H 1.158 0.030 1 197 23 23 THR C C 172.201 0.300 1 198 23 23 THR CA C 61.722 0.300 1 199 23 23 THR CB C 72.117 0.300 1 200 23 23 THR CG2 C 20.778 0.300 1 201 23 23 THR N N 122.476 0.300 1 202 24 24 LEU H H 8.882 0.030 1 203 24 24 LEU HA H 5.340 0.030 1 204 24 24 LEU HB2 H 1.796 0.030 2 205 24 24 LEU HB3 H 1.073 0.030 2 206 24 24 LEU HG H 1.636 0.030 1 207 24 24 LEU HD1 H 0.790 0.030 1 208 24 24 LEU HD2 H 0.807 0.030 1 209 24 24 LEU C C 176.856 0.300 1 210 24 24 LEU CA C 53.040 0.300 1 211 24 24 LEU CB C 45.209 0.300 1 212 24 24 LEU CG C 27.558 0.300 1 213 24 24 LEU CD1 C 26.007 0.300 2 214 24 24 LEU CD2 C 25.099 0.300 2 215 24 24 LEU N N 122.500 0.300 1 216 25 25 GLN H H 8.908 0.030 1 217 25 25 GLN HA H 5.001 0.030 1 218 25 25 GLN HB2 H 1.995 0.030 2 219 25 25 GLN HB3 H 1.967 0.030 2 220 25 25 GLN HG2 H 2.228 0.030 1 221 25 25 GLN HG3 H 2.228 0.030 1 222 25 25 GLN HE21 H 7.405 0.030 2 223 25 25 GLN HE22 H 6.852 0.030 2 224 25 25 GLN C C 173.165 0.300 1 225 25 25 GLN CA C 52.278 0.300 1 226 25 25 GLN CB C 32.159 0.300 1 227 25 25 GLN CG C 33.159 0.300 1 228 25 25 GLN N N 120.137 0.300 1 229 25 25 GLN NE2 N 111.482 0.300 1 230 26 26 PRO HA H 4.691 0.030 1 231 26 26 PRO HB2 H 2.318 0.030 2 232 26 26 PRO HB3 H 2.058 0.030 2 233 26 26 PRO HG2 H 2.443 0.030 2 234 26 26 PRO HG3 H 2.062 0.030 2 235 26 26 PRO HD2 H 3.934 0.030 2 236 26 26 PRO HD3 H 3.631 0.030 2 237 26 26 PRO C C 175.974 0.300 1 238 26 26 PRO CA C 63.479 0.300 1 239 26 26 PRO CB C 32.457 0.300 1 240 26 26 PRO CG C 28.637 0.300 1 241 26 26 PRO CD C 50.992 0.300 1 242 27 27 VAL H H 8.199 0.030 1 243 27 27 VAL HA H 4.411 0.030 1 244 27 27 VAL HB H 2.101 0.030 1 245 27 27 VAL HG1 H 0.925 0.030 1 246 27 27 VAL HG2 H 0.893 0.030 1 247 27 27 VAL C C 176.073 0.300 1 248 27 27 VAL CA C 63.337 0.300 1 249 27 27 VAL CB C 33.833 0.300 1 250 27 27 VAL CG1 C 22.300 0.300 2 251 27 27 VAL CG2 C 20.505 0.300 2 252 27 27 VAL N N 120.427 0.300 1 253 28 28 THR H H 7.812 0.030 1 254 28 28 THR HA H 4.862 0.030 1 255 28 28 THR HB H 4.700 0.030 1 256 28 28 THR HG2 H 1.196 0.030 1 257 28 28 THR C C 175.307 0.300 1 258 28 28 THR CA C 60.302 0.300 1 259 28 28 THR CB C 73.701 0.300 1 260 28 28 THR CG2 C 21.721 0.300 1 261 28 28 THR N N 109.210 0.300 1 262 29 29 SER H H 8.866 0.030 1 263 29 29 SER HA H 4.793 0.030 1 264 29 29 SER HB2 H 3.937 0.030 2 265 29 29 SER HB3 H 3.739 0.030 2 266 29 29 SER C C 172.700 0.300 1 267 29 29 SER CA C 60.280 0.300 1 268 29 29 SER CB C 63.852 0.300 1 269 29 29 SER N N 114.684 0.300 1 270 30 30 GLN H H 8.096 0.030 1 271 30 30 GLN HA H 4.659 0.030 1 272 30 30 GLN HB2 H 2.288 0.030 2 273 30 30 GLN HB3 H 1.942 0.030 2 274 30 30 GLN HG2 H 2.295 0.030 2 275 30 30 GLN HG3 H 2.137 0.030 2 276 30 30 GLN HE21 H 7.745 0.030 2 277 30 30 GLN HE22 H 6.860 0.030 2 278 30 30 GLN C C 174.265 0.300 1 279 30 30 GLN CA C 54.446 0.300 1 280 30 30 GLN CB C 33.321 0.300 1 281 30 30 GLN CG C 34.762 0.300 1 282 30 30 GLN N N 113.187 0.300 1 283 30 30 GLN NE2 N 112.256 0.300 1 284 31 31 SER H H 7.259 0.030 1 285 31 31 SER HA H 5.562 0.030 1 286 31 31 SER HB2 H 3.793 0.030 2 287 31 31 SER HB3 H 3.530 0.030 2 288 31 31 SER C C 173.399 0.300 1 289 31 31 SER CA C 57.118 0.300 1 290 31 31 SER CB C 66.699 0.300 1 291 31 31 SER N N 112.058 0.300 1 292 32 32 ILE H H 8.352 0.030 1 293 32 32 ILE HA H 4.381 0.030 1 294 32 32 ILE HB H 1.217 0.030 1 295 32 32 ILE HG12 H 1.411 0.030 2 296 32 32 ILE HG13 H 0.557 0.030 2 297 32 32 ILE HG2 H 0.649 0.030 1 298 32 32 ILE HD1 H 0.615 0.030 1 299 32 32 ILE C C 173.125 0.300 1 300 32 32 ILE CA C 60.317 0.300 1 301 32 32 ILE CB C 43.997 0.300 1 302 32 32 ILE CG1 C 28.556 0.300 1 303 32 32 ILE CG2 C 18.249 0.300 1 304 32 32 ILE CD1 C 13.865 0.300 1 305 32 32 ILE N N 121.315 0.300 1 306 33 33 GLN H H 9.068 0.030 1 307 33 33 GLN HA H 4.759 0.030 1 308 33 33 GLN HB2 H 2.078 0.030 2 309 33 33 GLN HB3 H 1.934 0.030 2 310 33 33 GLN HG2 H 1.995 0.030 1 311 33 33 GLN HG3 H 1.995 0.030 1 312 33 33 GLN HE21 H 7.144 0.030 2 313 33 33 GLN HE22 H 6.782 0.030 2 314 33 33 GLN C C 173.924 0.300 1 315 33 33 GLN CA C 55.841 0.300 1 316 33 33 GLN CB C 31.999 0.300 1 317 33 33 GLN CG C 35.400 0.300 1 318 33 33 GLN N N 127.746 0.300 1 319 33 33 GLN NE2 N 110.920 0.300 1 320 34 34 VAL H H 9.747 0.030 1 321 34 34 VAL HA H 5.042 0.030 1 322 34 34 VAL HB H 2.442 0.030 1 323 34 34 VAL HG1 H 0.925 0.030 1 324 34 34 VAL HG2 H 0.984 0.030 1 325 34 34 VAL C C 174.899 0.300 1 326 34 34 VAL CA C 60.602 0.300 1 327 34 34 VAL CB C 33.801 0.300 1 328 34 34 VAL CG1 C 21.198 0.300 2 329 34 34 VAL CG2 C 21.628 0.300 2 330 34 34 VAL N N 132.346 0.300 1 331 35 35 THR H H 9.061 0.030 1 332 35 35 THR HA H 5.321 0.030 1 333 35 35 THR HB H 4.188 0.030 1 334 35 35 THR HG2 H 1.160 0.030 1 335 35 35 THR C C 173.291 0.300 1 336 35 35 THR CA C 60.070 0.300 1 337 35 35 THR CB C 71.677 0.300 1 338 35 35 THR CG2 C 21.782 0.300 1 339 35 35 THR N N 117.989 0.300 1 340 36 36 TRP H H 7.809 0.030 1 341 36 36 TRP HA H 4.901 0.030 1 342 36 36 TRP HB2 H 3.537 0.030 2 343 36 36 TRP HB3 H 2.906 0.030 2 344 36 36 TRP HD1 H 6.541 0.030 1 345 36 36 TRP HE1 H 5.213 0.030 1 346 36 36 TRP HE3 H 6.908 0.030 1 347 36 36 TRP HZ2 H 6.693 0.030 1 348 36 36 TRP HH2 H 6.805 0.030 1 349 36 36 TRP C C 172.505 0.300 1 350 36 36 TRP CA C 57.606 0.300 1 351 36 36 TRP CB C 31.550 0.300 1 352 36 36 TRP CD1 C 125.495 0.300 1 353 36 36 TRP CE3 C 121.270 0.300 1 354 36 36 TRP CZ2 C 113.405 0.300 1 355 36 36 TRP CZ3 C 120.791 0.300 1 356 36 36 TRP CH2 C 124.454 0.300 1 357 36 36 TRP N N 117.377 0.300 1 358 36 36 TRP NE1 N 122.711 0.300 1 359 37 37 LYS H H 9.056 0.030 1 360 37 37 LYS HA H 4.860 0.030 1 361 37 37 LYS HB2 H 2.094 0.030 2 362 37 37 LYS HB3 H 1.547 0.030 2 363 37 37 LYS HG2 H 1.526 0.030 2 364 37 37 LYS HG3 H 1.409 0.030 2 365 37 37 LYS HD2 H 1.743 0.030 2 366 37 37 LYS HD3 H 1.625 0.030 2 367 37 37 LYS HE2 H 3.017 0.030 2 368 37 37 LYS HE3 H 2.944 0.030 2 369 37 37 LYS C C 176.040 0.300 1 370 37 37 LYS CA C 54.045 0.300 1 371 37 37 LYS CB C 36.464 0.300 1 372 37 37 LYS CG C 25.764 0.300 1 373 37 37 LYS CD C 29.420 0.300 1 374 37 37 LYS CE C 42.430 0.300 1 375 37 37 LYS N N 117.272 0.300 1 376 38 38 ALA H H 7.780 0.030 1 377 38 38 ALA HA H 4.969 0.030 1 378 38 38 ALA HB H 1.396 0.030 1 379 38 38 ALA C C 174.288 0.300 1 380 38 38 ALA CA C 51.172 0.300 1 381 38 38 ALA CB C 17.227 0.300 1 382 38 38 ALA N N 122.637 0.300 1 383 39 39 PRO HA H 4.584 0.030 1 384 39 39 PRO HB2 H 2.087 0.030 2 385 39 39 PRO HB3 H 1.439 0.030 2 386 39 39 PRO HG2 H 1.668 0.030 1 387 39 39 PRO HG3 H 1.668 0.030 1 388 39 39 PRO HD2 H 4.104 0.030 2 389 39 39 PRO HD3 H 3.486 0.030 2 390 39 39 PRO C C 175.504 0.300 1 391 39 39 PRO CA C 61.854 0.300 1 392 39 39 PRO CB C 31.559 0.300 1 393 39 39 PRO CG C 28.610 0.300 1 394 39 39 PRO CD C 50.396 0.300 1 395 40 40 LYS H H 8.906 0.030 1 396 40 40 LYS HA H 3.996 0.030 1 397 40 40 LYS HB2 H 1.834 0.030 2 398 40 40 LYS HB3 H 1.660 0.030 2 399 40 40 LYS HG2 H 1.699 0.030 2 400 40 40 LYS HG3 H 1.576 0.030 2 401 40 40 LYS HD2 H 1.741 0.030 1 402 40 40 LYS HD3 H 1.741 0.030 1 403 40 40 LYS HE2 H 3.058 0.030 1 404 40 40 LYS HE3 H 3.058 0.030 1 405 40 40 LYS C C 178.846 0.300 1 406 40 40 LYS CA C 57.519 0.300 1 407 40 40 LYS CB C 32.844 0.300 1 408 40 40 LYS CG C 25.306 0.300 1 409 40 40 LYS CD C 29.472 0.300 1 410 40 40 LYS CE C 42.125 0.300 1 411 40 40 LYS N N 123.431 0.300 1 412 41 41 LYS H H 8.608 0.030 1 413 41 41 LYS HA H 3.799 0.030 1 414 41 41 LYS HB2 H 1.888 0.030 2 415 41 41 LYS HB3 H 1.821 0.030 2 416 41 41 LYS HG2 H 1.463 0.030 1 417 41 41 LYS HG3 H 1.463 0.030 1 418 41 41 LYS HD2 H 1.703 0.030 2 419 41 41 LYS HD3 H 1.668 0.030 2 420 41 41 LYS HE2 H 2.990 0.030 1 421 41 41 LYS HE3 H 2.990 0.030 1 422 41 41 LYS C C 178.938 0.300 1 423 41 41 LYS CA C 60.084 0.300 1 424 41 41 LYS CB C 32.489 0.300 1 425 41 41 LYS CG C 24.584 0.300 1 426 41 41 LYS CD C 28.842 0.300 1 427 41 41 LYS CE C 42.238 0.300 1 428 41 41 LYS N N 125.365 0.300 1 429 42 42 GLU H H 9.723 0.030 1 430 42 42 GLU HA H 4.214 0.030 1 431 42 42 GLU HB2 H 2.094 0.030 2 432 42 42 GLU HB3 H 2.027 0.030 2 433 42 42 GLU HG2 H 2.340 0.030 2 434 42 42 GLU HG3 H 2.270 0.030 2 435 42 42 GLU C C 176.273 0.300 1 436 42 42 GLU CA C 58.722 0.300 1 437 42 42 GLU CB C 28.632 0.300 1 438 42 42 GLU CG C 36.307 0.300 1 439 42 42 GLU N N 117.626 0.300 1 440 43 43 LEU H H 8.010 0.030 1 441 43 43 LEU HA H 4.651 0.030 1 442 43 43 LEU HB2 H 1.675 0.030 2 443 43 43 LEU HB3 H 1.439 0.030 2 444 43 43 LEU HG H 1.427 0.030 1 445 43 43 LEU HD1 H 0.971 0.030 1 446 43 43 LEU HD2 H 0.847 0.030 1 447 43 43 LEU C C 177.214 0.300 1 448 43 43 LEU CA C 53.856 0.300 1 449 43 43 LEU CB C 41.892 0.300 1 450 43 43 LEU CG C 27.032 0.300 1 451 43 43 LEU CD1 C 25.994 0.300 2 452 43 43 LEU CD2 C 22.277 0.300 2 453 43 43 LEU N N 117.294 0.300 1 454 44 44 GLN H H 7.513 0.030 1 455 44 44 GLN HA H 3.651 0.030 1 456 44 44 GLN HB2 H 2.404 0.030 2 457 44 44 GLN HB3 H 2.071 0.030 2 458 44 44 GLN HG2 H 2.928 0.030 2 459 44 44 GLN HG3 H 1.843 0.030 2 460 44 44 GLN HE21 H 7.739 0.030 2 461 44 44 GLN HE22 H 7.294 0.030 2 462 44 44 GLN C C 175.265 0.300 1 463 44 44 GLN CA C 60.288 0.300 1 464 44 44 GLN CB C 28.036 0.300 1 465 44 44 GLN CG C 35.291 0.300 1 466 44 44 GLN N N 119.617 0.300 1 467 44 44 GLN NE2 N 109.927 0.300 1 468 45 45 ASN H H 8.277 0.030 1 469 45 45 ASN HA H 4.279 0.030 1 470 45 45 ASN HB2 H 2.836 0.030 2 471 45 45 ASN HB3 H 2.791 0.030 2 472 45 45 ASN HD21 H 7.479 0.030 2 473 45 45 ASN HD22 H 6.827 0.030 2 474 45 45 ASN C C 173.341 0.300 1 475 45 45 ASN CA C 54.064 0.300 1 476 45 45 ASN CB C 37.238 0.300 1 477 45 45 ASN N N 109.323 0.300 1 478 45 45 ASN ND2 N 114.442 0.300 1 479 46 46 GLY H H 7.433 0.030 1 480 46 46 GLY HA2 H 4.158 0.030 2 481 46 46 GLY HA3 H 3.838 0.030 2 482 46 46 GLY C C 172.625 0.300 1 483 46 46 GLY CA C 44.503 0.300 1 484 46 46 GLY N N 105.272 0.300 1 485 47 47 VAL H H 8.088 0.030 1 486 47 47 VAL HA H 3.918 0.030 1 487 47 47 VAL HB H 1.927 0.030 1 488 47 47 VAL HG1 H 0.980 0.030 1 489 47 47 VAL HG2 H 0.796 0.030 1 490 47 47 VAL C C 176.481 0.300 1 491 47 47 VAL CA C 62.829 0.300 1 492 47 47 VAL CB C 32.859 0.300 1 493 47 47 VAL CG1 C 21.622 0.300 2 494 47 47 VAL CG2 C 20.683 0.300 2 495 47 47 VAL N N 119.997 0.300 1 496 48 48 ILE H H 8.743 0.030 1 497 48 48 ILE HA H 3.717 0.030 1 498 48 48 ILE HB H 2.003 0.030 1 499 48 48 ILE HG12 H 1.636 0.030 2 500 48 48 ILE HG13 H 1.200 0.030 2 501 48 48 ILE HG2 H 0.568 0.030 1 502 48 48 ILE HD1 H 0.643 0.030 1 503 48 48 ILE C C 176.082 0.300 1 504 48 48 ILE CA C 59.694 0.300 1 505 48 48 ILE CB C 35.392 0.300 1 506 48 48 ILE CG1 C 26.507 0.300 1 507 48 48 ILE CG2 C 17.787 0.300 1 508 48 48 ILE CD1 C 10.148 0.300 1 509 48 48 ILE N N 126.998 0.300 1 510 49 49 ARG H H 8.437 0.030 1 511 49 49 ARG HA H 4.393 0.030 1 512 49 49 ARG HB2 H 1.933 0.030 2 513 49 49 ARG HB3 H 1.480 0.030 2 514 49 49 ARG HG2 H 1.777 0.030 1 515 49 49 ARG HG3 H 1.777 0.030 1 516 49 49 ARG HD2 H 3.119 0.030 1 517 49 49 ARG HD3 H 3.119 0.030 1 518 49 49 ARG HE H 7.834 0.030 1 519 49 49 ARG C C 177.514 0.300 1 520 49 49 ARG CA C 55.094 0.300 1 521 49 49 ARG CB C 31.627 0.300 1 522 49 49 ARG CG C 26.865 0.300 1 523 49 49 ARG CD C 42.846 0.300 1 524 49 49 ARG N N 125.479 0.300 1 525 49 49 ARG NE N 84.052 0.300 1 526 50 50 GLY H H 6.872 0.030 1 527 50 50 GLY HA2 H 3.818 0.030 2 528 50 50 GLY HA3 H 3.745 0.030 2 529 50 50 GLY C C 168.203 0.300 1 530 50 50 GLY CA C 45.900 0.300 1 531 50 50 GLY N N 108.095 0.300 1 532 51 51 TYR H H 8.620 0.030 1 533 51 51 TYR HA H 5.289 0.030 1 534 51 51 TYR HB2 H 2.569 0.030 1 535 51 51 TYR HB3 H 2.569 0.030 1 536 51 51 TYR HD1 H 7.100 0.030 3 537 51 51 TYR HD2 H 6.657 0.030 3 538 51 51 TYR HE1 H 6.602 0.030 3 539 51 51 TYR HE2 H 7.040 0.030 3 540 51 51 TYR C C 174.715 0.300 1 541 51 51 TYR CA C 55.943 0.300 1 542 51 51 TYR CB C 42.826 0.300 1 543 51 51 TYR CD1 C 133.707 0.300 1 544 51 51 TYR CD2 C 133.707 0.300 1 545 51 51 TYR CE1 C 117.351 0.300 1 546 51 51 TYR CE2 C 117.351 0.300 1 547 51 51 TYR N N 113.063 0.300 1 548 52 52 GLN H H 9.206 0.030 1 549 52 52 GLN HA H 5.213 0.030 1 550 52 52 GLN HB2 H 1.922 0.030 2 551 52 52 GLN HB3 H 1.785 0.030 2 552 52 52 GLN HG2 H 2.258 0.030 2 553 52 52 GLN HG3 H 2.152 0.030 2 554 52 52 GLN HE21 H 7.177 0.030 2 555 52 52 GLN HE22 H 6.473 0.030 2 556 52 52 GLN C C 174.732 0.300 1 557 52 52 GLN CA C 54.233 0.300 1 558 52 52 GLN CB C 30.928 0.300 1 559 52 52 GLN CG C 34.222 0.300 1 560 52 52 GLN N N 118.972 0.300 1 561 52 52 GLN NE2 N 109.960 0.300 1 562 53 53 ILE H H 9.297 0.030 1 563 53 53 ILE HA H 4.480 0.030 1 564 53 53 ILE HB H 1.536 0.030 1 565 53 53 ILE HG12 H 0.998 0.030 2 566 53 53 ILE HG13 H 0.386 0.030 2 567 53 53 ILE HG2 H 0.715 0.030 1 568 53 53 ILE HD1 H 0.386 0.030 1 569 53 53 ILE C C 174.832 0.300 1 570 53 53 ILE CA C 60.476 0.300 1 571 53 53 ILE CB C 39.796 0.300 1 572 53 53 ILE CG1 C 28.505 0.300 1 573 53 53 ILE CG2 C 18.778 0.300 1 574 53 53 ILE CD1 C 15.423 0.300 1 575 53 53 ILE N N 126.605 0.300 1 576 54 54 GLY H H 9.165 0.030 1 577 54 54 GLY HA2 H 5.658 0.030 2 578 54 54 GLY HA3 H 2.851 0.030 2 579 54 54 GLY C C 172.500 0.300 1 580 54 54 GLY CA C 43.532 0.300 1 581 54 54 GLY N N 114.158 0.300 1 582 55 55 TYR H H 9.274 0.030 1 583 55 55 TYR HA H 6.486 0.030 1 584 55 55 TYR HB2 H 2.953 0.030 2 585 55 55 TYR HB3 H 2.795 0.030 2 586 55 55 TYR HD1 H 6.868 0.030 1 587 55 55 TYR HD2 H 6.868 0.030 1 588 55 55 TYR HE1 H 6.651 0.030 1 589 55 55 TYR HE2 H 6.651 0.030 1 590 55 55 TYR C C 174.315 0.300 1 591 55 55 TYR CA C 55.059 0.300 1 592 55 55 TYR CB C 42.558 0.300 1 593 55 55 TYR CD1 C 133.602 0.300 1 594 55 55 TYR CD2 C 133.602 0.300 1 595 55 55 TYR CE1 C 118.032 0.300 1 596 55 55 TYR CE2 C 118.032 0.300 1 597 55 55 TYR N N 119.728 0.300 1 598 56 56 ARG H H 9.313 0.030 1 599 56 56 ARG HA H 4.935 0.030 1 600 56 56 ARG HB2 H 1.320 0.030 2 601 56 56 ARG HB3 H 1.218 0.030 2 602 56 56 ARG HG2 H 1.111 0.030 2 603 56 56 ARG HG3 H 1.339 0.030 2 604 56 56 ARG HD2 H 2.436 0.030 2 605 56 56 ARG HD3 H 1.345 0.030 2 606 56 56 ARG HE H 7.824 0.030 1 607 56 56 ARG C C 173.641 0.300 1 608 56 56 ARG CA C 53.576 0.300 1 609 56 56 ARG CB C 33.359 0.300 1 610 56 56 ARG CG C 24.728 0.300 1 611 56 56 ARG CD C 43.577 0.300 1 612 56 56 ARG N N 118.944 0.300 1 613 56 56 ARG NE N 86.826 0.300 1 614 57 57 GLU H H 8.930 0.030 1 615 57 57 GLU HA H 3.890 0.030 1 616 57 57 GLU HB2 H 1.879 0.030 2 617 57 57 GLU HB3 H 1.682 0.030 2 618 57 57 GLU HG2 H 1.967 0.030 2 619 57 57 GLU HG3 H 1.770 0.030 2 620 57 57 GLU C C 176.689 0.300 1 621 57 57 GLU CA C 56.340 0.300 1 622 57 57 GLU CB C 29.964 0.300 1 623 57 57 GLU CG C 36.544 0.300 1 624 57 57 GLU N N 124.989 0.300 1 625 58 58 ASN H H 8.658 0.030 1 626 58 58 ASN HA H 4.885 0.030 1 627 58 58 ASN HB2 H 2.535 0.030 2 628 58 58 ASN HB3 H 2.334 0.030 2 629 58 58 ASN HD21 H 7.425 0.030 2 630 58 58 ASN HD22 H 6.607 0.030 2 631 58 58 ASN C C 174.599 0.300 1 632 58 58 ASN CA C 51.898 0.300 1 633 58 58 ASN CB C 38.658 0.300 1 634 58 58 ASN N N 126.418 0.300 1 635 58 58 ASN ND2 N 110.058 0.300 1 636 59 59 SER H H 7.664 0.030 1 637 59 59 SER HA H 4.665 0.030 1 638 59 59 SER HB2 H 3.805 0.030 1 639 59 59 SER HB3 H 3.805 0.030 1 640 59 59 SER C C 172.472 0.300 1 641 59 59 SER CA C 56.652 0.300 1 642 59 59 SER CB C 62.936 0.300 1 643 59 59 SER N N 117.136 0.300 1 644 60 60 PRO HA H 4.301 0.030 1 645 60 60 PRO HB2 H 2.283 0.030 2 646 60 60 PRO HB3 H 1.862 0.030 2 647 60 60 PRO HG2 H 2.100 0.030 2 648 60 60 PRO HG3 H 1.956 0.030 2 649 60 60 PRO HD2 H 3.796 0.030 2 650 60 60 PRO HD3 H 3.626 0.030 2 651 60 60 PRO C C 177.840 0.300 1 652 60 60 PRO CA C 64.703 0.300 1 653 60 60 PRO CB C 31.446 0.300 1 654 60 60 PRO CG C 27.828 0.300 1 655 60 60 PRO CD C 50.690 0.300 1 656 61 61 GLY H H 8.711 0.030 1 657 61 61 GLY HA2 H 4.068 0.030 2 658 61 61 GLY HA3 H 3.777 0.030 2 659 61 61 GLY C C 174.541 0.300 1 660 61 61 GLY CA C 45.275 0.300 1 661 61 61 GLY N N 111.590 0.300 1 662 62 62 SER H H 7.836 0.030 1 663 62 62 SER HA H 4.362 0.030 1 664 62 62 SER HB2 H 3.881 0.030 2 665 62 62 SER HB3 H 3.838 0.030 2 666 62 62 SER C C 174.457 0.300 1 667 62 62 SER CA C 58.482 0.300 1 668 62 62 SER CB C 64.104 0.300 1 669 62 62 SER N N 115.825 0.300 1 670 63 63 ASN H H 8.690 0.030 1 671 63 63 ASN HA H 4.637 0.030 1 672 63 63 ASN HB2 H 2.851 0.030 2 673 63 63 ASN HB3 H 2.812 0.030 2 674 63 63 ASN HD21 H 7.529 0.030 2 675 63 63 ASN HD22 H 6.858 0.030 2 676 63 63 ASN C C 176.123 0.300 1 677 63 63 ASN CA C 53.218 0.300 1 678 63 63 ASN CB C 38.461 0.300 1 679 63 63 ASN N N 121.392 0.300 1 680 63 63 ASN ND2 N 111.901 0.300 1 681 64 64 GLY H H 8.445 0.030 1 682 64 64 GLY HA2 H 3.907 0.030 2 683 64 64 GLY HA3 H 3.848 0.030 2 684 64 64 GLY C C 173.858 0.300 1 685 64 64 GLY CA C 45.498 0.300 1 686 64 64 GLY N N 108.915 0.300 1 687 65 65 GLN H H 8.087 0.030 1 688 65 65 GLN HA H 4.230 0.030 1 689 65 65 GLN HB2 H 2.011 0.030 2 690 65 65 GLN HB3 H 1.878 0.030 2 691 65 65 GLN HG2 H 2.303 0.030 1 692 65 65 GLN HG3 H 2.303 0.030 1 693 65 65 GLN HE21 H 7.518 0.030 2 694 65 65 GLN HE22 H 6.850 0.030 2 695 65 65 GLN C C 176.398 0.300 1 696 65 65 GLN CA C 54.891 0.300 1 697 65 65 GLN CB C 29.762 0.300 1 698 65 65 GLN CG C 33.689 0.300 1 699 65 65 GLN N N 119.180 0.300 1 700 65 65 GLN NE2 N 112.846 0.300 1 701 66 66 TYR H H 8.543 0.030 1 702 66 66 TYR HA H 4.220 0.030 1 703 66 66 TYR HB2 H 2.668 0.030 2 704 66 66 TYR HB3 H 2.579 0.030 2 705 66 66 TYR HD1 H 6.846 0.030 1 706 66 66 TYR HD2 H 6.846 0.030 1 707 66 66 TYR HE1 H 6.651 0.030 1 708 66 66 TYR HE2 H 6.651 0.030 1 709 66 66 TYR C C 177.780 0.300 1 710 66 66 TYR CA C 59.694 0.300 1 711 66 66 TYR CB C 38.435 0.300 1 712 66 66 TYR CD1 C 132.310 0.300 1 713 66 66 TYR CD2 C 132.310 0.300 1 714 66 66 TYR CE1 C 118.258 0.300 1 715 66 66 TYR CE2 C 118.258 0.300 1 716 66 66 TYR N N 121.248 0.300 1 717 67 67 SER H H 8.802 0.030 1 718 67 67 SER HA H 4.518 0.030 1 719 67 67 SER HB2 H 3.460 0.030 2 720 67 67 SER HB3 H 2.690 0.030 2 721 67 67 SER C C 172.542 0.300 1 722 67 67 SER CA C 58.741 0.300 1 723 67 67 SER CB C 63.532 0.300 1 724 67 67 SER N N 121.001 0.300 1 725 68 68 ILE H H 8.372 0.030 1 726 68 68 ILE HA H 5.392 0.030 1 727 68 68 ILE HB H 1.687 0.030 1 728 68 68 ILE HG12 H 1.341 0.030 2 729 68 68 ILE HG13 H 1.084 0.030 2 730 68 68 ILE HG2 H 0.661 0.030 1 731 68 68 ILE HD1 H 0.622 0.030 1 732 68 68 ILE C C 176.990 0.300 1 733 68 68 ILE CA C 59.244 0.300 1 734 68 68 ILE CB C 40.122 0.300 1 735 68 68 ILE CG1 C 26.911 0.300 1 736 68 68 ILE CG2 C 17.737 0.300 1 737 68 68 ILE CD1 C 11.621 0.300 1 738 68 68 ILE N N 122.301 0.300 1 739 69 69 VAL H H 9.163 0.030 1 740 69 69 VAL HA H 4.509 0.030 1 741 69 69 VAL HB H 2.004 0.030 1 742 69 69 VAL HG1 H 0.893 0.030 1 743 69 69 VAL HG2 H 0.948 0.030 1 744 69 69 VAL C C 173.616 0.300 1 745 69 69 VAL CA C 60.537 0.300 1 746 69 69 VAL CB C 35.459 0.300 1 747 69 69 VAL CG1 C 21.177 0.300 2 748 69 69 VAL CG2 C 20.598 0.300 2 749 69 69 VAL N N 125.982 0.300 1 750 70 70 GLU H H 8.591 0.030 1 751 70 70 GLU HA H 5.365 0.030 1 752 70 70 GLU HB2 H 2.002 0.030 1 753 70 70 GLU HB3 H 2.002 0.030 1 754 70 70 GLU HG2 H 2.266 0.030 2 755 70 70 GLU HG3 H 2.156 0.030 2 756 70 70 GLU C C 174.990 0.300 1 757 70 70 GLU CA C 54.856 0.300 1 758 70 70 GLU CB C 33.233 0.300 1 759 70 70 GLU CG C 37.462 0.300 1 760 70 70 GLU N N 124.433 0.300 1 761 71 71 MET H H 9.036 0.030 1 762 71 71 MET HA H 4.957 0.030 1 763 71 71 MET HB2 H 2.261 0.030 2 764 71 71 MET HB3 H 2.003 0.030 2 765 71 71 MET HG2 H 2.635 0.030 2 766 71 71 MET HG3 H 2.431 0.030 2 767 71 71 MET HE H 2.042 0.030 1 768 71 71 MET C C 174.483 0.300 1 769 71 71 MET CA C 54.031 0.300 1 770 71 71 MET CB C 35.024 0.300 1 771 71 71 MET CG C 30.400 0.300 1 772 71 71 MET CE C 17.724 0.300 1 773 71 71 MET N N 121.132 0.300 1 774 72 72 LYS H H 8.542 0.030 1 775 72 72 LYS HA H 4.555 0.030 1 776 72 72 LYS HB2 H 1.897 0.030 2 777 72 72 LYS HB3 H 1.865 0.030 2 778 72 72 LYS HG2 H 1.644 0.030 1 779 72 72 LYS HG3 H 1.644 0.030 1 780 72 72 LYS HD2 H 1.785 0.030 1 781 72 72 LYS HD3 H 1.785 0.030 1 782 72 72 LYS HE2 H 3.097 0.030 1 783 72 72 LYS HE3 H 3.097 0.030 1 784 72 72 LYS C C 175.465 0.300 1 785 72 72 LYS CA C 56.155 0.300 1 786 72 72 LYS CB C 33.552 0.300 1 787 72 72 LYS CG C 25.097 0.300 1 788 72 72 LYS CD C 29.281 0.300 1 789 72 72 LYS CE C 42.263 0.300 1 790 72 72 LYS N N 122.340 0.300 1 791 73 73 ALA H H 7.505 0.030 1 792 73 73 ALA HA H 4.421 0.030 1 793 73 73 ALA HB H 1.195 0.030 1 794 73 73 ALA C C 178.180 0.300 1 795 73 73 ALA CA C 52.281 0.300 1 796 73 73 ALA CB C 19.740 0.300 1 797 73 73 ALA N N 126.159 0.300 1 798 74 74 THR H H 11.447 0.030 1 799 74 74 THR HA H 4.611 0.030 1 800 74 74 THR HB H 4.256 0.030 1 801 74 74 THR HG2 H 1.257 0.030 1 802 74 74 THR C C 175.690 0.300 1 803 74 74 THR CA C 62.346 0.300 1 804 74 74 THR CB C 71.508 0.300 1 805 74 74 THR CG2 C 21.420 0.300 1 806 74 74 THR N N 116.602 0.300 1 807 75 75 GLY H H 7.757 0.030 1 808 75 75 GLY HA2 H 4.165 0.030 2 809 75 75 GLY HA3 H 4.041 0.030 2 810 75 75 GLY C C 172.767 0.300 1 811 75 75 GLY CA C 46.405 0.300 1 812 75 75 GLY N N 112.080 0.300 1 813 76 76 ASP H H 8.730 0.030 1 814 76 76 ASP HA H 4.611 0.030 1 815 76 76 ASP HB2 H 2.784 0.030 2 816 76 76 ASP HB3 H 2.635 0.030 2 817 76 76 ASP C C 175.481 0.300 1 818 76 76 ASP CA C 55.900 0.300 1 819 76 76 ASP CB C 41.364 0.300 1 820 76 76 ASP N N 122.658 0.300 1 821 77 77 SER H H 7.653 0.030 1 822 77 77 SER HA H 4.716 0.030 1 823 77 77 SER HB2 H 3.722 0.030 1 824 77 77 SER HB3 H 3.722 0.030 1 825 77 77 SER C C 172.058 0.300 1 826 77 77 SER CA C 57.169 0.300 1 827 77 77 SER CB C 64.712 0.300 1 828 77 77 SER N N 114.058 0.300 1 829 78 78 GLU H H 7.986 0.030 1 830 78 78 GLU HA H 4.552 0.030 1 831 78 78 GLU HB2 H -1.296 0.030 2 832 78 78 GLU HB3 H 0.730 0.030 2 833 78 78 GLU HG2 H 1.605 0.030 2 834 78 78 GLU HG3 H 1.388 0.030 2 835 78 78 GLU C C 175.181 0.300 1 836 78 78 GLU CA C 53.315 0.300 1 837 78 78 GLU CB C 32.206 0.300 1 838 78 78 GLU CG C 32.676 0.300 1 839 78 78 GLU N N 119.125 0.300 1 840 79 79 VAL H H 8.139 0.030 1 841 79 79 VAL HA H 4.831 0.030 1 842 79 79 VAL HB H 1.739 0.030 1 843 79 79 VAL HG1 H 0.724 0.030 1 844 79 79 VAL HG2 H 0.701 0.030 1 845 79 79 VAL C C 173.566 0.300 1 846 79 79 VAL CA C 59.788 0.300 1 847 79 79 VAL CB C 35.154 0.300 1 848 79 79 VAL CG1 C 20.915 0.300 2 849 79 79 VAL CG2 C 19.728 0.300 2 850 79 79 VAL N N 118.660 0.300 1 851 80 80 TYR H H 9.308 0.030 1 852 80 80 TYR HA H 4.437 0.030 1 853 80 80 TYR HB2 H 3.275 0.030 2 854 80 80 TYR HB3 H 2.744 0.030 2 855 80 80 TYR HD1 H 6.951 0.030 1 856 80 80 TYR HD2 H 6.951 0.030 1 857 80 80 TYR HE1 H 6.777 0.030 1 858 80 80 TYR HE2 H 6.777 0.030 1 859 80 80 TYR C C 173.808 0.300 1 860 80 80 TYR CA C 58.973 0.300 1 861 80 80 TYR CB C 43.812 0.300 1 862 80 80 TYR CD1 C 132.844 0.300 1 863 80 80 TYR CD2 C 132.844 0.300 1 864 80 80 TYR CE1 C 118.359 0.300 1 865 80 80 TYR CE2 C 118.359 0.300 1 866 80 80 TYR N N 126.487 0.300 1 867 81 81 THR H H 7.721 0.030 1 868 81 81 THR HA H 4.645 0.030 1 869 81 81 THR HB H 3.680 0.030 1 870 81 81 THR HG2 H 0.824 0.030 1 871 81 81 THR C C 172.500 0.300 1 872 81 81 THR CA C 62.389 0.300 1 873 81 81 THR CB C 69.035 0.300 1 874 81 81 THR CG2 C 21.619 0.300 1 875 81 81 THR N N 124.056 0.300 1 876 82 82 LEU H H 8.655 0.030 1 877 82 82 LEU HA H 4.253 0.030 1 878 82 82 LEU HB2 H 1.572 0.030 2 879 82 82 LEU HB3 H 0.842 0.030 2 880 82 82 LEU HG H 1.476 0.030 1 881 82 82 LEU HD1 H 0.343 0.030 1 882 82 82 LEU HD2 H 0.396 0.030 1 883 82 82 LEU C C 174.082 0.300 1 884 82 82 LEU CA C 53.837 0.300 1 885 82 82 LEU CB C 42.913 0.300 1 886 82 82 LEU CG C 26.186 0.300 1 887 82 82 LEU CD1 C 25.396 0.300 2 888 82 82 LEU CD2 C 23.078 0.300 2 889 82 82 LEU N N 128.752 0.300 1 890 83 83 ASP H H 8.068 0.030 1 891 83 83 ASP HA H 5.124 0.030 1 892 83 83 ASP HB2 H 2.488 0.030 1 893 83 83 ASP HB3 H 2.488 0.030 1 894 83 83 ASP C C 174.982 0.300 1 895 83 83 ASP CA C 51.412 0.300 1 896 83 83 ASP CB C 43.983 0.300 1 897 83 83 ASP N N 123.801 0.300 1 898 84 84 ASN H H 8.956 0.030 1 899 84 84 ASN HA H 4.210 0.030 1 900 84 84 ASN HB2 H 2.993 0.030 2 901 84 84 ASN HB3 H 2.803 0.030 2 902 84 84 ASN HD21 H 7.573 0.030 2 903 84 84 ASN HD22 H 6.855 0.030 2 904 84 84 ASN C C 174.915 0.300 1 905 84 84 ASN CA C 54.611 0.300 1 906 84 84 ASN CB C 37.485 0.300 1 907 84 84 ASN N N 112.673 0.300 1 908 84 84 ASN ND2 N 114.150 0.300 1 909 85 85 LEU H H 8.498 0.030 1 910 85 85 LEU HA H 4.253 0.030 1 911 85 85 LEU HB2 H 1.287 0.030 2 912 85 85 LEU HB3 H 0.998 0.030 2 913 85 85 LEU HG H 0.979 0.030 1 914 85 85 LEU HD1 H -0.097 0.030 1 915 85 85 LEU HD2 H 0.011 0.030 1 916 85 85 LEU C C 176.222 0.300 1 917 85 85 LEU CA C 53.403 0.300 1 918 85 85 LEU CB C 41.320 0.300 1 919 85 85 LEU CG C 25.861 0.300 1 920 85 85 LEU CD1 C 25.382 0.300 2 921 85 85 LEU CD2 C 20.335 0.300 2 922 85 85 LEU N N 117.540 0.300 1 923 86 86 LYS H H 8.322 0.030 1 924 86 86 LYS HA H 4.200 0.030 1 925 86 86 LYS HB2 H 1.810 0.030 2 926 86 86 LYS HB3 H 1.676 0.030 2 927 86 86 LYS HG2 H 1.455 0.030 2 928 86 86 LYS HG3 H 1.563 0.030 2 929 86 86 LYS HD2 H 1.616 0.030 1 930 86 86 LYS HD3 H 1.616 0.030 1 931 86 86 LYS HE2 H 2.979 0.030 1 932 86 86 LYS HE3 H 2.979 0.030 1 933 86 86 LYS C C 175.931 0.300 1 934 86 86 LYS CA C 56.698 0.300 1 935 86 86 LYS CB C 33.827 0.300 1 936 86 86 LYS CG C 25.786 0.300 1 937 86 86 LYS CD C 29.663 0.300 1 938 86 86 LYS CE C 42.258 0.300 1 939 86 86 LYS N N 119.265 0.300 1 940 87 87 LYS H H 8.002 0.030 1 941 87 87 LYS HA H 4.829 0.030 1 942 87 87 LYS HB2 H 1.649 0.030 2 943 87 87 LYS HB3 H 1.541 0.030 2 944 87 87 LYS HG2 H 1.229 0.030 2 945 87 87 LYS HG3 H 1.458 0.030 2 946 87 87 LYS HD2 H 1.657 0.030 2 947 87 87 LYS HD3 H 1.620 0.030 2 948 87 87 LYS HE2 H 2.920 0.030 1 949 87 87 LYS HE3 H 2.920 0.030 1 950 87 87 LYS C C 176.522 0.300 1 951 87 87 LYS CA C 56.446 0.300 1 952 87 87 LYS CB C 33.289 0.300 1 953 87 87 LYS CG C 24.973 0.300 1 954 87 87 LYS CD C 29.857 0.300 1 955 87 87 LYS CE C 42.125 0.300 1 956 87 87 LYS N N 121.201 0.300 1 957 88 88 PHE H H 7.844 0.030 1 958 88 88 PHE HA H 4.348 0.030 1 959 88 88 PHE HB2 H 3.475 0.030 2 960 88 88 PHE HB3 H 2.843 0.030 2 961 88 88 PHE HD1 H 7.284 0.030 1 962 88 88 PHE HD2 H 7.284 0.030 1 963 88 88 PHE HE1 H 7.342 0.030 1 964 88 88 PHE HE2 H 7.342 0.030 1 965 88 88 PHE HZ H 7.248 0.030 1 966 88 88 PHE C C 173.999 0.300 1 967 88 88 PHE CA C 56.403 0.300 1 968 88 88 PHE CB C 37.959 0.300 1 969 88 88 PHE CD1 C 131.067 0.300 1 970 88 88 PHE CD2 C 131.067 0.300 1 971 88 88 PHE CE1 C 131.100 0.300 1 972 88 88 PHE CE2 C 131.100 0.300 1 973 88 88 PHE CZ C 129.161 0.300 1 974 88 88 PHE N N 125.504 0.300 1 975 89 89 ALA H H 8.097 0.030 1 976 89 89 ALA HA H 4.579 0.030 1 977 89 89 ALA HB H 1.130 0.030 1 978 89 89 ALA C C 175.099 0.300 1 979 89 89 ALA CA C 50.735 0.300 1 980 89 89 ALA CB C 22.899 0.300 1 981 89 89 ALA N N 122.627 0.300 1 982 90 90 GLN H H 8.265 0.030 1 983 90 90 GLN HA H 4.824 0.030 1 984 90 90 GLN HB2 H 1.938 0.030 2 985 90 90 GLN HB3 H 1.843 0.030 2 986 90 90 GLN HG2 H 2.163 0.030 2 987 90 90 GLN HG3 H 2.069 0.030 2 988 90 90 GLN HE21 H 7.298 0.030 2 989 90 90 GLN HE22 H 6.736 0.030 2 990 90 90 GLN C C 174.849 0.300 1 991 90 90 GLN CA C 55.378 0.300 1 992 90 90 GLN CB C 31.067 0.300 1 993 90 90 GLN CG C 35.181 0.300 1 994 90 90 GLN N N 121.697 0.300 1 995 90 90 GLN NE2 N 111.219 0.300 1 996 91 91 TYR H H 9.356 0.030 1 997 91 91 TYR HA H 5.207 0.030 1 998 91 91 TYR HB2 H 2.668 0.030 2 999 91 91 TYR HB3 H 2.540 0.030 2 1000 91 91 TYR HD1 H 7.034 0.030 1 1001 91 91 TYR HD2 H 7.034 0.030 1 1002 91 91 TYR HE1 H 6.920 0.030 1 1003 91 91 TYR HE2 H 6.920 0.030 1 1004 91 91 TYR C C 174.698 0.300 1 1005 91 91 TYR CA C 57.527 0.300 1 1006 91 91 TYR CB C 42.558 0.300 1 1007 91 91 TYR CD1 C 132.639 0.300 1 1008 91 91 TYR CD2 C 132.639 0.300 1 1009 91 91 TYR CE1 C 118.552 0.300 1 1010 91 91 TYR CE2 C 118.552 0.300 1 1011 91 91 TYR N N 125.877 0.300 1 1012 92 92 GLY H H 9.150 0.030 1 1013 92 92 GLY HA2 H 5.121 0.030 2 1014 92 92 GLY HA3 H 3.585 0.030 2 1015 92 92 GLY C C 174.174 0.300 1 1016 92 92 GLY CA C 44.552 0.300 1 1017 92 92 GLY N N 107.538 0.300 1 1018 93 93 VAL H H 8.845 0.030 1 1019 93 93 VAL HA H 5.513 0.030 1 1020 93 93 VAL HB H 1.825 0.030 1 1021 93 93 VAL HG1 H 0.834 0.030 1 1022 93 93 VAL HG2 H 0.763 0.030 1 1023 93 93 VAL C C 175.798 0.300 1 1024 93 93 VAL CA C 60.848 0.300 1 1025 93 93 VAL CB C 36.323 0.300 1 1026 93 93 VAL CG1 C 21.605 0.300 2 1027 93 93 VAL CG2 C 21.392 0.300 2 1028 93 93 VAL N N 122.832 0.300 1 1029 94 94 VAL H H 9.136 0.030 1 1030 94 94 VAL HA H 4.351 0.030 1 1031 94 94 VAL HB H 1.922 0.030 1 1032 94 94 VAL HG1 H 0.790 0.030 1 1033 94 94 VAL HG2 H 0.212 0.030 1 1034 94 94 VAL C C 173.350 0.300 1 1035 94 94 VAL CA C 59.334 0.300 1 1036 94 94 VAL CB C 35.595 0.300 1 1037 94 94 VAL CG1 C 22.282 0.300 2 1038 94 94 VAL CG2 C 16.759 0.300 2 1039 94 94 VAL N N 120.692 0.300 1 1040 95 95 VAL H H 8.103 0.030 1 1041 95 95 VAL HA H 4.718 0.030 1 1042 95 95 VAL HB H 1.078 0.030 1 1043 95 95 VAL HG1 H 0.120 0.030 1 1044 95 95 VAL HG2 H -0.391 0.030 1 1045 95 95 VAL C C 174.599 0.300 1 1046 95 95 VAL CA C 60.656 0.300 1 1047 95 95 VAL CB C 34.341 0.300 1 1048 95 95 VAL CG1 C 21.071 0.300 2 1049 95 95 VAL CG2 C 20.576 0.300 2 1050 95 95 VAL N N 119.400 0.300 1 1051 96 96 GLN H H 8.730 0.030 1 1052 96 96 GLN HA H 4.667 0.030 1 1053 96 96 GLN HB2 H 1.971 0.030 2 1054 96 96 GLN HB3 H 1.773 0.030 2 1055 96 96 GLN HG2 H 2.285 0.030 2 1056 96 96 GLN HG3 H 2.017 0.030 2 1057 96 96 GLN HE21 H 7.490 0.030 2 1058 96 96 GLN HE22 H 6.594 0.030 2 1059 96 96 GLN C C 174.174 0.300 1 1060 96 96 GLN CA C 54.320 0.300 1 1061 96 96 GLN CB C 32.702 0.300 1 1062 96 96 GLN CG C 33.307 0.300 1 1063 96 96 GLN N N 122.319 0.300 1 1064 96 96 GLN NE2 N 110.226 0.300 1 1065 97 97 ALA H H 8.998 0.030 1 1066 97 97 ALA HA H 4.783 0.030 1 1067 97 97 ALA HB H 1.326 0.030 1 1068 97 97 ALA C C 175.774 0.300 1 1069 97 97 ALA CA C 50.677 0.300 1 1070 97 97 ALA CB C 22.790 0.300 1 1071 97 97 ALA N N 124.959 0.300 1 1072 98 98 PHE H H 8.166 0.030 1 1073 98 98 PHE HA H 5.433 0.030 1 1074 98 98 PHE HB2 H 3.075 0.030 2 1075 98 98 PHE HB3 H 2.833 0.030 2 1076 98 98 PHE HD1 H 6.692 0.030 1 1077 98 98 PHE HD2 H 6.692 0.030 1 1078 98 98 PHE HE1 H 7.030 0.030 1 1079 98 98 PHE HE2 H 7.030 0.030 1 1080 98 98 PHE HZ H 7.090 0.030 1 1081 98 98 PHE C C 174.149 0.300 1 1082 98 98 PHE CA C 56.125 0.300 1 1083 98 98 PHE CB C 42.834 0.300 1 1084 98 98 PHE CD1 C 132.309 0.300 1 1085 98 98 PHE CD2 C 132.309 0.300 1 1086 98 98 PHE CE1 C 130.701 0.300 1 1087 98 98 PHE CE2 C 130.701 0.300 1 1088 98 98 PHE CZ C 129.417 0.300 1 1089 98 98 PHE N N 113.827 0.300 1 1090 99 99 ASN H H 8.749 0.030 1 1091 99 99 ASN HA H 4.644 0.030 1 1092 99 99 ASN HB2 H 3.620 0.030 2 1093 99 99 ASN HB3 H 2.596 0.030 2 1094 99 99 ASN HD21 H 8.167 0.030 2 1095 99 99 ASN HD22 H 6.600 0.030 2 1096 99 99 ASN C C 175.540 0.300 1 1097 99 99 ASN CA C 51.436 0.300 1 1098 99 99 ASN CB C 40.982 0.300 1 1099 99 99 ASN N N 120.800 0.300 1 1100 99 99 ASN ND2 N 110.896 0.300 1 1101 100 100 ARG H H 9.203 0.030 1 1102 100 100 ARG HA H 4.091 0.030 1 1103 100 100 ARG HB2 H 1.848 0.030 1 1104 100 100 ARG HB3 H 1.848 0.030 1 1105 100 100 ARG HG2 H 1.744 0.030 1 1106 100 100 ARG HG3 H 1.744 0.030 1 1107 100 100 ARG HD2 H 3.186 0.030 1 1108 100 100 ARG HD3 H 3.186 0.030 1 1109 100 100 ARG HE H 7.391 0.030 1 1110 100 100 ARG C C 176.522 0.300 1 1111 100 100 ARG CA C 59.336 0.300 1 1112 100 100 ARG CB C 30.140 0.300 1 1113 100 100 ARG CG C 27.686 0.300 1 1114 100 100 ARG CD C 43.695 0.300 1 1115 100 100 ARG N N 118.183 0.300 1 1116 100 100 ARG NE N 84.743 0.300 1 1117 101 101 ALA H H 8.096 0.030 1 1118 101 101 ALA HA H 4.352 0.030 1 1119 101 101 ALA HB H 1.173 0.030 1 1120 101 101 ALA C C 177.805 0.300 1 1121 101 101 ALA CA C 52.646 0.300 1 1122 101 101 ALA CB C 19.538 0.300 1 1123 101 101 ALA N N 119.663 0.300 1 1124 102 102 GLY H H 7.638 0.030 1 1125 102 102 GLY HA2 H 4.460 0.030 2 1126 102 102 GLY HA3 H 3.967 0.030 2 1127 102 102 GLY C C 171.576 0.300 1 1128 102 102 GLY CA C 45.246 0.300 1 1129 102 102 GLY N N 104.794 0.300 1 1130 103 103 THR H H 8.326 0.030 1 1131 103 103 THR HA H 4.770 0.030 1 1132 103 103 THR HB H 4.013 0.030 1 1133 103 103 THR HG2 H 1.253 0.030 1 1134 103 103 THR C C 175.599 0.300 1 1135 103 103 THR CA C 61.471 0.300 1 1136 103 103 THR CB C 70.129 0.300 1 1137 103 103 THR CG2 C 22.528 0.300 1 1138 103 103 THR N N 113.544 0.300 1 1139 104 104 GLY H H 9.073 0.030 1 1140 104 104 GLY HA2 H 4.540 0.030 2 1141 104 104 GLY HA3 H 3.774 0.030 2 1142 104 104 GLY C C 170.969 0.300 1 1143 104 104 GLY CA C 45.381 0.300 1 1144 104 104 GLY N N 112.572 0.300 1 1145 105 105 PRO HA H 4.511 0.030 1 1146 105 105 PRO HB2 H 2.321 0.030 2 1147 105 105 PRO HB3 H 1.722 0.030 2 1148 105 105 PRO HG2 H 1.899 0.030 2 1149 105 105 PRO HG3 H 1.447 0.030 2 1150 105 105 PRO HD2 H 3.566 0.030 2 1151 105 105 PRO HD3 H 3.066 0.030 2 1152 105 105 PRO C C 177.403 0.300 1 1153 105 105 PRO CA C 62.113 0.300 1 1154 105 105 PRO CB C 32.665 0.300 1 1155 105 105 PRO CG C 26.784 0.300 1 1156 105 105 PRO CD C 49.464 0.300 1 1157 106 106 SER H H 8.563 0.030 1 1158 106 106 SER HA H 4.855 0.030 1 1159 106 106 SER HB2 H 3.758 0.030 2 1160 106 106 SER HB3 H 3.721 0.030 2 1161 106 106 SER C C 176.181 0.300 1 1162 106 106 SER CA C 57.398 0.300 1 1163 106 106 SER CB C 64.767 0.300 1 1164 106 106 SER N N 115.252 0.300 1 1165 107 107 SER H H 8.843 0.030 1 1166 107 107 SER HA H 4.249 0.030 1 1167 107 107 SER HB2 H 3.793 0.030 2 1168 107 107 SER HB3 H 4.248 0.030 2 1169 107 107 SER C C 174.141 0.300 1 1170 107 107 SER CA C 58.741 0.300 1 1171 107 107 SER CB C 63.953 0.300 1 1172 107 107 SER N N 117.438 0.300 1 1173 108 108 SER H H 8.675 0.030 1 1174 108 108 SER HA H 4.329 0.030 1 1175 108 108 SER HB2 H 3.934 0.030 2 1176 108 108 SER HB3 H 3.835 0.030 2 1177 108 108 SER C C 175.465 0.300 1 1178 108 108 SER CA C 59.036 0.300 1 1179 108 108 SER CB C 63.005 0.300 1 1180 108 108 SER N N 117.030 0.300 1 1181 109 109 GLU H H 8.870 0.030 1 1182 109 109 GLU HA H 4.083 0.030 1 1183 109 109 GLU HB2 H 1.941 0.030 2 1184 109 109 GLU HB3 H 1.833 0.030 2 1185 109 109 GLU HG2 H 2.084 0.030 2 1186 109 109 GLU HG3 H 1.960 0.030 2 1187 109 109 GLU C C 175.390 0.300 1 1188 109 109 GLU CA C 58.567 0.300 1 1189 109 109 GLU CB C 30.651 0.300 1 1190 109 109 GLU CG C 37.798 0.300 1 1191 109 109 GLU N N 128.624 0.300 1 1192 110 110 ILE H H 7.926 0.030 1 1193 110 110 ILE HA H 4.565 0.030 1 1194 110 110 ILE HB H 1.768 0.030 1 1195 110 110 ILE HG12 H 1.510 0.030 2 1196 110 110 ILE HG13 H 1.266 0.030 2 1197 110 110 ILE HG2 H 1.057 0.030 1 1198 110 110 ILE HD1 H 0.880 0.030 1 1199 110 110 ILE C C 173.957 0.300 1 1200 110 110 ILE CA C 59.413 0.300 1 1201 110 110 ILE CB C 41.243 0.300 1 1202 110 110 ILE CG1 C 26.231 0.300 1 1203 110 110 ILE CG2 C 18.242 0.300 1 1204 110 110 ILE CD1 C 14.059 0.300 1 1205 110 110 ILE N N 126.217 0.300 1 1206 111 111 ASN H H 8.440 0.030 1 1207 111 111 ASN HA H 6.343 0.030 1 1208 111 111 ASN HB2 H 2.535 0.030 2 1209 111 111 ASN HB3 H 2.395 0.030 2 1210 111 111 ASN HD21 H 7.041 0.030 2 1211 111 111 ASN HD22 H 6.768 0.030 2 1212 111 111 ASN C C 175.806 0.300 1 1213 111 111 ASN CA C 52.204 0.300 1 1214 111 111 ASN CB C 43.048 0.300 1 1215 111 111 ASN N N 120.469 0.300 1 1216 111 111 ASN ND2 N 110.573 0.300 1 1217 112 112 ALA H H 9.072 0.030 1 1218 112 112 ALA HA H 4.664 0.030 1 1219 112 112 ALA HB H 1.366 0.030 1 1220 112 112 ALA C C 174.740 0.300 1 1221 112 112 ALA CA C 52.058 0.300 1 1222 112 112 ALA CB C 23.534 0.300 1 1223 112 112 ALA N N 121.071 0.300 1 1224 113 113 THR H H 8.412 0.030 1 1225 113 113 THR HA H 5.383 0.030 1 1226 113 113 THR HB H 3.907 0.030 1 1227 113 113 THR HG2 H 1.104 0.030 1 1228 113 113 THR C C 175.173 0.300 1 1229 113 113 THR CA C 60.522 0.300 1 1230 113 113 THR CB C 70.763 0.300 1 1231 113 113 THR CG2 C 20.609 0.300 1 1232 113 113 THR N N 116.135 0.300 1 1233 114 114 THR H H 8.899 0.030 1 1234 114 114 THR HA H 4.050 0.030 1 1235 114 114 THR HB H 4.644 0.030 1 1236 114 114 THR HG2 H 1.214 0.030 1 1237 114 114 THR C C 174.200 0.300 1 1238 114 114 THR CA C 62.109 0.300 1 1239 114 114 THR CB C 68.929 0.300 1 1240 114 114 THR CG2 C 24.162 0.300 1 1241 114 114 THR N N 114.829 0.300 1 1242 115 115 LEU H H 6.980 0.030 1 1243 115 115 LEU HA H 4.232 0.030 1 1244 115 115 LEU HB2 H 1.607 0.030 2 1245 115 115 LEU HB3 H 1.243 0.030 2 1246 115 115 LEU HG H 1.415 0.030 1 1247 115 115 LEU HD1 H 0.758 0.030 1 1248 115 115 LEU HD2 H 0.869 0.030 1 1249 115 115 LEU C C 176.414 0.300 1 1250 115 115 LEU CA C 55.418 0.300 1 1251 115 115 LEU CB C 42.362 0.300 1 1252 115 115 LEU CG C 27.433 0.300 1 1253 115 115 LEU CD1 C 25.452 0.300 2 1254 115 115 LEU CD2 C 22.936 0.300 2 1255 115 115 LEU N N 116.399 0.300 1 1256 116 116 GLU H H 8.194 0.030 1 1257 116 116 GLU HA H 4.025 0.030 1 1258 116 116 GLU HB2 H 1.754 0.030 2 1259 116 116 GLU HB3 H 1.542 0.030 2 1260 116 116 GLU HG2 H 1.858 0.030 1 1261 116 116 GLU HG3 H 1.858 0.030 1 1262 116 116 GLU C C 176.498 0.300 1 1263 116 116 GLU CA C 56.871 0.300 1 1264 116 116 GLU CB C 30.468 0.300 1 1265 116 116 GLU CG C 36.238 0.300 1 1266 116 116 GLU N N 118.691 0.300 1 1267 117 117 SER H H 8.125 0.030 1 1268 117 117 SER HA H 4.463 0.030 1 1269 117 117 SER HB2 H 3.820 0.030 1 1270 117 117 SER HB3 H 3.820 0.030 1 1271 117 117 SER C C 174.391 0.300 1 1272 117 117 SER CA C 57.975 0.300 1 1273 117 117 SER CB C 64.292 0.300 1 1274 117 117 SER N N 115.323 0.300 1 1275 118 118 GLY H H 8.299 0.030 1 1276 118 118 GLY HA2 H 4.209 0.030 2 1277 118 118 GLY HA3 H 4.083 0.030 2 1278 118 118 GLY C C 171.745 0.300 1 1279 118 118 GLY CA C 44.716 0.300 1 1280 118 118 GLY N N 110.684 0.300 1 1281 119 119 PRO HA H 4.478 0.030 1 1282 119 119 PRO HB2 H 2.297 0.030 2 1283 119 119 PRO HB3 H 1.973 0.030 2 1284 119 119 PRO HG2 H 2.017 0.030 1 1285 119 119 PRO HG3 H 2.017 0.030 1 1286 119 119 PRO HD2 H 3.622 0.030 1 1287 119 119 PRO HD3 H 3.622 0.030 1 1288 119 119 PRO C C 177.386 0.300 1 1289 119 119 PRO CA C 63.264 0.300 1 1290 119 119 PRO CB C 32.248 0.300 1 1291 119 119 PRO CG C 27.194 0.300 1 1292 119 119 PRO CD C 49.824 0.300 1 1293 120 120 SER H H 8.539 0.030 1 1294 120 120 SER HA H 4.506 0.030 1 1295 120 120 SER HB2 H 3.914 0.030 1 1296 120 120 SER HB3 H 3.914 0.030 1 1297 120 120 SER C C 174.657 0.300 1 1298 120 120 SER CA C 58.350 0.300 1 1299 120 120 SER CB C 63.918 0.300 1 1300 120 120 SER N N 116.341 0.300 1 1301 121 121 SER H H 8.329 0.030 1 1302 121 121 SER HA H 4.499 0.030 1 1303 121 121 SER HB2 H 3.839 0.030 1 1304 121 121 SER HB3 H 3.839 0.030 1 1305 121 121 SER C C 173.941 0.300 1 1306 121 121 SER CA C 58.398 0.300 1 1307 121 121 SER CB C 64.055 0.300 1 1308 121 121 SER N N 117.797 0.300 1 1309 122 122 GLY H H 8.059 0.030 1 1310 122 122 GLY HA2 H 3.783 0.030 1 1311 122 122 GLY HA3 H 3.783 0.030 1 1312 122 122 GLY C C 178.993 0.300 1 1313 122 122 GLY CA C 46.220 0.300 1 1314 122 122 GLY N N 116.892 0.300 1 stop_ save_