data_11181 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth fn3 domain of KIAA1496 protein ; _BMRB_accession_number 11181 _BMRB_flat_file_name bmr11181.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Nagashima T. . . 3 Tochio N. . . 4 Kigawa T. . . 5 Hayashi F. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 637 "13C chemical shifts" 473 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the fourth fn3 domain of KIAA1496 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 Inoue K. . . 2 Nagashima T. . . 3 Tochio N. . . 4 Kigawa T. . . 5 Hayashi F. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KIAA1496 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSSGSSGTVNVTTKKTPPSQ PPGNVVWNATDTKVLLNWEQ VKAMENESEVTGYKVFYRTS SQNNVQVLNTNKTSAELVLP IKEDYIIEVKATTDGGDGTS SEQIRIPRITSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 VAL 10 ASN 11 VAL 12 THR 13 THR 14 LYS 15 LYS 16 THR 17 PRO 18 PRO 19 SER 20 GLN 21 PRO 22 PRO 23 GLY 24 ASN 25 VAL 26 VAL 27 TRP 28 ASN 29 ALA 30 THR 31 ASP 32 THR 33 LYS 34 VAL 35 LEU 36 LEU 37 ASN 38 TRP 39 GLU 40 GLN 41 VAL 42 LYS 43 ALA 44 MET 45 GLU 46 ASN 47 GLU 48 SER 49 GLU 50 VAL 51 THR 52 GLY 53 TYR 54 LYS 55 VAL 56 PHE 57 TYR 58 ARG 59 THR 60 SER 61 SER 62 GLN 63 ASN 64 ASN 65 VAL 66 GLN 67 VAL 68 LEU 69 ASN 70 THR 71 ASN 72 LYS 73 THR 74 SER 75 ALA 76 GLU 77 LEU 78 VAL 79 LEU 80 PRO 81 ILE 82 LYS 83 GLU 84 ASP 85 TYR 86 ILE 87 ILE 88 GLU 89 VAL 90 LYS 91 ALA 92 THR 93 THR 94 ASP 95 GLY 96 GLY 97 ASP 98 GLY 99 THR 100 SER 101 SER 102 GLU 103 GLN 104 ILE 105 ARG 106 ILE 107 PRO 108 ARG 109 ILE 110 THR 111 SER 112 SER 113 GLY 114 PRO 115 SER 116 SER 117 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WJ3 "Solution Structure Of The Fourth Fn3 Domain Of Kiaa1496 Protein" 100.00 117 100.00 100.00 4.14e-76 GB EHH51179 "hypothetical protein EGM_10513 [Macaca fascicularis]" 90.60 1028 97.17 98.11 7.12e-60 REF XP_005196486 "PREDICTED: contactin-3 isoform X4 [Bos taurus]" 57.26 100 98.51 100.00 3.11e-38 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' 'E. coli' Escherichia coli . plasmid P030728-76 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.98mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.98 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.8992 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' 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 7.0 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 'fn3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER C C 174.089 0.300 1 2 7 7 GLY HA2 H 3.922 0.030 1 3 7 7 GLY HA3 H 3.922 0.030 1 4 7 7 GLY C C 171.913 0.300 1 5 7 7 GLY CA C 42.997 0.300 1 6 8 8 THR H H 7.991 0.030 1 7 8 8 THR HA H 4.273 0.030 1 8 8 8 THR HB H 4.076 0.030 1 9 8 8 THR HG2 H 1.087 0.030 1 10 8 8 THR C C 172.157 0.300 1 11 8 8 THR CA C 59.535 0.300 1 12 8 8 THR CB C 67.487 0.300 1 13 8 8 THR CG2 C 19.214 0.300 1 14 8 8 THR N N 113.851 0.300 1 15 9 9 VAL H H 8.090 0.030 1 16 9 9 VAL HA H 4.679 0.030 1 17 9 9 VAL HB H 1.953 0.030 1 18 9 9 VAL HG1 H 0.812 0.030 1 19 9 9 VAL HG2 H 0.812 0.030 1 20 9 9 VAL C C 173.286 0.300 1 21 9 9 VAL CA C 59.747 0.300 1 22 9 9 VAL CB C 30.526 0.300 1 23 9 9 VAL CG1 C 18.870 0.300 1 24 9 9 VAL CG2 C 18.870 0.300 1 25 9 9 VAL N N 122.335 0.300 1 26 10 10 ASN H H 8.494 0.030 1 27 10 10 ASN HA H 4.661 0.030 1 28 10 10 ASN HB2 H 2.617 0.030 1 29 10 10 ASN HB3 H 2.617 0.030 1 30 10 10 ASN HD21 H 6.771 0.030 2 31 10 10 ASN HD22 H 7.459 0.030 2 32 10 10 ASN C C 172.667 0.300 1 33 10 10 ASN CA C 50.823 0.300 1 34 10 10 ASN CB C 36.932 0.300 1 35 10 10 ASN N N 122.855 0.300 1 36 10 10 ASN ND2 N 112.145 0.300 1 37 11 11 VAL H H 8.119 0.030 1 38 11 11 VAL HA H 4.114 0.030 1 39 11 11 VAL HB H 2.022 0.030 1 40 11 11 VAL HG1 H 0.834 0.030 1 41 11 11 VAL HG2 H 0.832 0.030 1 42 11 11 VAL C C 173.978 0.300 1 43 11 11 VAL CA C 59.992 0.300 1 44 11 11 VAL CB C 30.441 0.300 1 45 11 11 VAL CG1 C 17.977 0.300 2 46 11 11 VAL CG2 C 18.238 0.300 2 47 11 11 VAL N N 120.563 0.300 1 48 12 12 THR H H 8.257 0.030 1 49 12 12 THR HA H 4.323 0.030 1 50 12 12 THR HB H 4.127 0.030 1 51 12 12 THR HG2 H 1.098 0.030 1 52 12 12 THR C C 172.264 0.300 1 53 12 12 THR CA C 59.545 0.300 1 54 12 12 THR CB C 67.428 0.300 1 55 12 12 THR CG2 C 19.214 0.300 1 56 12 12 THR N N 117.723 0.300 1 57 13 13 THR H H 8.048 0.030 1 58 13 13 THR HA H 4.214 0.030 1 59 13 13 THR HB H 4.011 0.030 1 60 13 13 THR HG2 H 1.083 0.030 1 61 13 13 THR C C 171.781 0.300 1 62 13 13 THR CA C 59.500 0.300 1 63 13 13 THR CB C 67.364 0.300 1 64 13 13 THR CG2 C 19.296 0.300 1 65 13 13 THR N N 116.927 0.300 1 66 14 14 LYS H H 8.220 0.030 1 67 14 14 LYS HA H 4.230 0.030 1 68 14 14 LYS HB2 H 1.631 0.030 2 69 14 14 LYS HB3 H 1.696 0.030 2 70 14 14 LYS HD2 H 1.571 0.030 1 71 14 14 LYS HD3 H 1.571 0.030 1 72 14 14 LYS HE2 H 2.879 0.030 1 73 14 14 LYS HE3 H 2.879 0.030 1 74 14 14 LYS HG2 H 1.285 0.030 2 75 14 14 LYS HG3 H 1.329 0.030 2 76 14 14 LYS C C 173.832 0.300 1 77 14 14 LYS CA C 53.716 0.300 1 78 14 14 LYS CB C 30.810 0.300 1 79 14 14 LYS CD C 26.730 0.300 1 80 14 14 LYS CE C 39.802 0.300 1 81 14 14 LYS CG C 22.377 0.300 1 82 14 14 LYS N N 124.199 0.300 1 83 15 15 LYS H H 8.236 0.030 1 84 15 15 LYS HA H 4.344 0.030 1 85 15 15 LYS HB2 H 1.486 0.030 1 86 15 15 LYS HB3 H 1.486 0.030 1 87 15 15 LYS HD2 H 1.381 0.030 1 88 15 15 LYS HD3 H 1.381 0.030 1 89 15 15 LYS HE2 H 2.846 0.030 1 90 15 15 LYS HE3 H 2.846 0.030 1 91 15 15 LYS HG2 H 1.117 0.030 2 92 15 15 LYS HG3 H 1.319 0.030 2 93 15 15 LYS C C 173.964 0.300 1 94 15 15 LYS CA C 53.817 0.300 1 95 15 15 LYS CB C 31.580 0.300 1 96 15 15 LYS CD C 27.143 0.300 1 97 15 15 LYS CE C 39.966 0.300 1 98 15 15 LYS CG C 23.212 0.300 1 99 15 15 LYS N N 123.016 0.300 1 100 16 16 THR H H 7.944 0.030 1 101 16 16 THR HA H 4.559 0.030 1 102 16 16 THR HB H 4.158 0.030 1 103 16 16 THR HG2 H 1.171 0.030 1 104 16 16 THR C C 169.978 0.300 1 105 16 16 THR CA C 57.196 0.300 1 106 16 16 THR CB C 67.163 0.300 1 107 16 16 THR CG2 C 19.438 0.300 1 108 16 16 THR N N 114.667 0.300 1 109 17 17 PRO HA H 4.394 0.030 1 110 17 17 PRO HB2 H 1.410 0.030 2 111 17 17 PRO HB3 H 1.827 0.030 2 112 17 17 PRO HD2 H 3.460 0.030 2 113 17 17 PRO HD3 H 3.604 0.030 2 114 17 17 PRO HG2 H 1.425 0.030 2 115 17 17 PRO HG3 H 1.713 0.030 2 116 17 17 PRO CA C 59.309 0.300 1 117 17 17 PRO CB C 27.879 0.300 1 118 17 17 PRO CD C 48.272 0.300 1 119 17 17 PRO CG C 25.567 0.300 1 120 18 18 PRO HA H 4.216 0.030 1 121 18 18 PRO HB2 H 1.758 0.030 2 122 18 18 PRO HB3 H 2.289 0.030 2 123 18 18 PRO HD2 H 3.079 0.030 2 124 18 18 PRO HD3 H 4.042 0.030 2 125 18 18 PRO HG2 H 1.729 0.030 2 126 18 18 PRO HG3 H 1.834 0.030 2 127 18 18 PRO C C 175.196 0.300 1 128 18 18 PRO CA C 60.806 0.300 1 129 18 18 PRO CB C 29.468 0.300 1 130 18 18 PRO CD C 48.571 0.300 1 131 18 18 PRO CG C 25.668 0.300 1 132 19 19 SER H H 8.536 0.030 1 133 19 19 SER HA H 4.225 0.030 1 134 19 19 SER HB2 H 3.834 0.030 1 135 19 19 SER HB3 H 3.834 0.030 1 136 19 19 SER C C 173.613 0.300 1 137 19 19 SER CA C 57.216 0.300 1 138 19 19 SER CB C 61.647 0.300 1 139 19 19 SER N N 118.841 0.300 1 140 20 20 GLN H H 8.326 0.030 1 141 20 20 GLN HA H 4.543 0.030 1 142 20 20 GLN HB2 H 1.992 0.030 2 143 20 20 GLN HB3 H 2.029 0.030 2 144 20 20 GLN HE21 H 6.855 0.030 2 145 20 20 GLN HE22 H 7.511 0.030 2 146 20 20 GLN HG2 H 2.457 0.030 1 147 20 20 GLN HG3 H 2.457 0.030 1 148 20 20 GLN C C 171.034 0.300 1 149 20 20 GLN CA C 51.455 0.300 1 150 20 20 GLN CB C 26.581 0.300 1 151 20 20 GLN CG C 30.937 0.300 1 152 20 20 GLN N N 125.514 0.300 1 153 20 20 GLN NE2 N 112.270 0.300 1 154 21 21 PRO HA H 4.752 0.030 1 155 21 21 PRO HB2 H 1.491 0.030 2 156 21 21 PRO HB3 H 1.890 0.030 2 157 21 21 PRO HD2 H 3.638 0.030 2 158 21 21 PRO HD3 H 3.761 0.030 2 159 21 21 PRO HG2 H 1.803 0.030 2 160 21 21 PRO HG3 H 1.913 0.030 2 161 21 21 PRO CA C 58.727 0.300 1 162 21 21 PRO CB C 28.524 0.300 1 163 21 21 PRO CD C 47.916 0.300 1 164 21 21 PRO CG C 23.990 0.300 1 165 22 22 PRO HA H 4.246 0.030 1 166 22 22 PRO HB2 H 1.343 0.030 2 167 22 22 PRO HB3 H 2.062 0.030 2 168 22 22 PRO HD2 H 3.266 0.030 2 169 22 22 PRO HD3 H 4.304 0.030 2 170 22 22 PRO HG2 H 1.531 0.030 2 171 22 22 PRO HG3 H 1.612 0.030 2 172 22 22 PRO C C 173.953 0.300 1 173 22 22 PRO CA C 61.116 0.300 1 174 22 22 PRO CB C 29.040 0.300 1 175 22 22 PRO CD C 48.041 0.300 1 176 22 22 PRO CG C 25.715 0.300 1 177 23 23 GLY H H 8.148 0.030 1 178 23 23 GLY HA2 H 3.638 0.030 2 179 23 23 GLY HA3 H 4.195 0.030 2 180 23 23 GLY C C 170.047 0.300 1 181 23 23 GLY CA C 41.937 0.300 1 182 23 23 GLY N N 111.578 0.300 1 183 24 24 ASN H H 8.501 0.030 1 184 24 24 ASN HA H 4.166 0.030 1 185 24 24 ASN HB2 H 2.397 0.030 2 186 24 24 ASN HB3 H 2.831 0.030 2 187 24 24 ASN HD21 H 6.633 0.030 2 188 24 24 ASN HD22 H 7.554 0.030 2 189 24 24 ASN C C 170.823 0.300 1 190 24 24 ASN CA C 51.407 0.300 1 191 24 24 ASN CB C 35.957 0.300 1 192 24 24 ASN N N 115.973 0.300 1 193 24 24 ASN ND2 N 112.451 0.300 1 194 25 25 VAL H H 8.187 0.030 1 195 25 25 VAL HA H 4.572 0.030 1 196 25 25 VAL HB H 2.048 0.030 1 197 25 25 VAL HG1 H 0.881 0.030 1 198 25 25 VAL HG2 H 0.797 0.030 1 199 25 25 VAL C C 174.474 0.300 1 200 25 25 VAL CA C 61.138 0.300 1 201 25 25 VAL CB C 28.418 0.300 1 202 25 25 VAL CG1 C 19.800 0.300 2 203 25 25 VAL CG2 C 18.145 0.300 2 204 25 25 VAL N N 118.442 0.300 1 205 26 26 VAL H H 9.248 0.030 1 206 26 26 VAL HA H 4.620 0.030 1 207 26 26 VAL HB H 1.966 0.030 1 208 26 26 VAL HG1 H 0.729 0.030 1 209 26 26 VAL HG2 H 0.762 0.030 1 210 26 26 VAL C C 171.672 0.300 1 211 26 26 VAL CA C 57.864 0.300 1 212 26 26 VAL CB C 33.665 0.300 1 213 26 26 VAL CG1 C 19.108 0.300 2 214 26 26 VAL CG2 C 17.042 0.300 2 215 26 26 VAL N N 125.229 0.300 1 216 27 27 TRP H H 7.876 0.030 1 217 27 27 TRP HA H 5.992 0.030 1 218 27 27 TRP HB2 H 2.774 0.030 2 219 27 27 TRP HB3 H 3.021 0.030 2 220 27 27 TRP HD1 H 6.901 0.030 1 221 27 27 TRP HE1 H 10.297 0.030 1 222 27 27 TRP HE3 H 7.059 0.030 1 223 27 27 TRP HH2 H 7.171 0.030 1 224 27 27 TRP HZ2 H 7.501 0.030 1 225 27 27 TRP HZ3 H 6.951 0.030 1 226 27 27 TRP C C 172.194 0.300 1 227 27 27 TRP CA C 51.531 0.300 1 228 27 27 TRP CB C 31.344 0.300 1 229 27 27 TRP CD1 C 124.614 0.300 1 230 27 27 TRP CE3 C 117.283 0.300 1 231 27 27 TRP CH2 C 121.981 0.300 1 232 27 27 TRP CZ2 C 112.427 0.300 1 233 27 27 TRP CZ3 C 119.282 0.300 1 234 27 27 TRP N N 117.045 0.300 1 235 27 27 TRP NE1 N 129.331 0.300 1 236 28 28 ASN H H 8.864 0.030 1 237 28 28 ASN HA H 4.568 0.030 1 238 28 28 ASN HB2 H 2.499 0.030 2 239 28 28 ASN HB3 H 2.544 0.030 2 240 28 28 ASN HD21 H 6.550 0.030 2 241 28 28 ASN HD22 H 7.415 0.030 2 242 28 28 ASN C C 170.738 0.300 1 243 28 28 ASN CA C 50.919 0.300 1 244 28 28 ASN CB C 40.133 0.300 1 245 28 28 ASN N N 116.910 0.300 1 246 28 28 ASN ND2 N 112.455 0.300 1 247 29 29 ALA H H 9.156 0.030 1 248 29 29 ALA HA H 5.330 0.030 1 249 29 29 ALA HB H 1.532 0.030 1 250 29 29 ALA C C 175.129 0.300 1 251 29 29 ALA CA C 49.242 0.300 1 252 29 29 ALA CB C 18.857 0.300 1 253 29 29 ALA N N 126.108 0.300 1 254 30 30 THR H H 8.946 0.030 1 255 30 30 THR HA H 4.683 0.030 1 256 30 30 THR HB H 4.593 0.030 1 257 30 30 THR HG2 H 1.132 0.030 1 258 30 30 THR C C 171.311 0.300 1 259 30 30 THR CA C 57.283 0.300 1 260 30 30 THR CB C 67.991 0.300 1 261 30 30 THR CG2 C 19.400 0.300 1 262 30 30 THR N N 115.605 0.300 1 263 31 31 ASP H H 8.635 0.030 1 264 31 31 ASP HA H 4.355 0.030 1 265 31 31 ASP HB2 H 2.684 0.030 2 266 31 31 ASP HB3 H 2.727 0.030 2 267 31 31 ASP C C 174.900 0.300 1 268 31 31 ASP CA C 54.061 0.300 1 269 31 31 ASP CB C 37.945 0.300 1 270 32 32 THR H H 7.989 0.030 1 271 32 32 THR HA H 4.442 0.030 1 272 32 32 THR HB H 4.212 0.030 1 273 32 32 THR HG2 H 1.046 0.030 1 274 32 32 THR C C 172.303 0.300 1 275 32 32 THR CA C 59.572 0.300 1 276 32 32 THR CB C 69.020 0.300 1 277 32 32 THR CG2 C 19.725 0.300 1 278 32 32 THR N N 105.587 0.300 1 279 33 33 LYS H H 7.744 0.030 1 280 33 33 LYS HA H 4.888 0.030 1 281 33 33 LYS HB2 H 1.538 0.030 2 282 33 33 LYS HB3 H 1.707 0.030 2 283 33 33 LYS HD2 H 1.337 0.030 2 284 33 33 LYS HD3 H 1.415 0.030 2 285 33 33 LYS HE2 H 2.714 0.030 1 286 33 33 LYS HE3 H 2.714 0.030 1 287 33 33 LYS HG2 H 1.178 0.030 1 288 33 33 LYS HG3 H 1.178 0.030 1 289 33 33 LYS C C 172.302 0.300 1 290 33 33 LYS CA C 52.928 0.300 1 291 33 33 LYS CB C 34.068 0.300 1 292 33 33 LYS CD C 26.972 0.300 1 293 33 33 LYS CE C 39.856 0.300 1 294 33 33 LYS CG C 21.503 0.300 1 295 33 33 LYS N N 120.815 0.300 1 296 34 34 VAL H H 9.011 0.030 1 297 34 34 VAL HA H 4.662 0.030 1 298 34 34 VAL HB H 1.789 0.030 1 299 34 34 VAL HG1 H 0.838 0.030 1 300 34 34 VAL HG2 H 0.879 0.030 1 301 34 34 VAL C C 171.345 0.300 1 302 34 34 VAL CA C 59.130 0.300 1 303 34 34 VAL CB C 31.727 0.300 1 304 34 34 VAL CG1 C 19.859 0.300 2 305 34 34 VAL CG2 C 20.500 0.300 2 306 34 34 VAL N N 117.757 0.300 1 307 35 35 LEU H H 9.020 0.030 1 308 35 35 LEU HA H 4.895 0.030 1 309 35 35 LEU HB2 H 1.628 0.030 2 310 35 35 LEU HB3 H 1.660 0.030 2 311 35 35 LEU HD1 H 0.790 0.030 1 312 35 35 LEU HD2 H 0.774 0.030 1 313 35 35 LEU HG H 1.525 0.030 1 314 35 35 LEU C C 173.880 0.300 1 315 35 35 LEU CA C 51.614 0.300 1 316 35 35 LEU CB C 40.377 0.300 1 317 35 35 LEU CD1 C 22.738 0.300 2 318 35 35 LEU CD2 C 22.264 0.300 2 319 35 35 LEU CG C 25.373 0.300 1 320 35 35 LEU N N 127.160 0.300 1 321 36 36 LEU H H 8.942 0.030 1 322 36 36 LEU HA H 5.456 0.030 1 323 36 36 LEU HB2 H 1.604 0.030 2 324 36 36 LEU HB3 H 1.654 0.030 2 325 36 36 LEU HD1 H 0.680 0.030 1 326 36 36 LEU HD2 H 0.715 0.030 1 327 36 36 LEU HG H 1.572 0.030 1 328 36 36 LEU C C 173.601 0.300 1 329 36 36 LEU CA C 51.202 0.300 1 330 36 36 LEU CB C 44.498 0.300 1 331 36 36 LEU CD1 C 23.931 0.300 2 332 36 36 LEU CD2 C 23.400 0.300 2 333 36 36 LEU CG C 25.356 0.300 1 334 36 36 LEU N N 124.256 0.300 1 335 37 37 ASN H H 8.864 0.030 1 336 37 37 ASN HA H 4.856 0.030 1 337 37 37 ASN HB2 H 2.288 0.030 2 338 37 37 ASN HB3 H 2.466 0.030 2 339 37 37 ASN HD21 H 6.423 0.030 2 340 37 37 ASN HD22 H 7.473 0.030 2 341 37 37 ASN C C 170.096 0.300 1 342 37 37 ASN CA C 51.055 0.300 1 343 37 37 ASN CB C 41.638 0.300 1 344 37 37 ASN N N 118.914 0.300 1 345 37 37 ASN ND2 N 113.182 0.300 1 346 38 38 TRP H H 7.262 0.030 1 347 38 38 TRP HA H 5.032 0.030 1 348 38 38 TRP HB2 H 2.915 0.030 2 349 38 38 TRP HB3 H 3.323 0.030 2 350 38 38 TRP HD1 H 6.799 0.030 1 351 38 38 TRP HE1 H 5.598 0.030 1 352 38 38 TRP HE3 H 6.802 0.030 1 353 38 38 TRP HH2 H 6.364 0.030 1 354 38 38 TRP HZ2 H 6.881 0.030 1 355 38 38 TRP HZ3 H 6.392 0.030 1 356 38 38 TRP C C 171.563 0.300 1 357 38 38 TRP CA C 54.209 0.300 1 358 38 38 TRP CB C 28.689 0.300 1 359 38 38 TRP CD1 C 123.916 0.300 1 360 38 38 TRP CE3 C 116.489 0.300 1 361 38 38 TRP CH2 C 121.092 0.300 1 362 38 38 TRP CZ2 C 112.267 0.300 1 363 38 38 TRP CZ3 C 118.331 0.300 1 364 38 38 TRP N N 115.503 0.300 1 365 38 38 TRP NE1 N 123.247 0.300 1 366 39 39 GLU H H 8.594 0.030 1 367 39 39 GLU HA H 4.308 0.030 1 368 39 39 GLU HB2 H 1.778 0.030 2 369 39 39 GLU HB3 H 1.961 0.030 2 370 39 39 GLU HG2 H 2.267 0.030 2 371 39 39 GLU HG3 H 2.307 0.030 2 372 39 39 GLU C C 173.649 0.300 1 373 39 39 GLU CA C 53.012 0.300 1 374 39 39 GLU CB C 28.724 0.300 1 375 39 39 GLU CG C 34.554 0.300 1 376 39 39 GLU N N 117.638 0.300 1 377 40 40 GLN H H 8.219 0.030 1 378 40 40 GLN HA H 4.149 0.030 1 379 40 40 GLN HB2 H 1.923 0.030 2 380 40 40 GLN HB3 H 1.975 0.030 2 381 40 40 GLN HE21 H 6.880 0.030 2 382 40 40 GLN HE22 H 7.583 0.030 2 383 40 40 GLN HG2 H 2.243 0.030 1 384 40 40 GLN HG3 H 2.243 0.030 1 385 40 40 GLN C C 174.283 0.300 1 386 40 40 GLN CA C 53.558 0.300 1 387 40 40 GLN CB C 27.388 0.300 1 388 40 40 GLN CG C 31.018 0.300 1 389 40 40 GLN N N 117.943 0.300 1 390 40 40 GLN NE2 N 111.420 0.300 1 391 41 41 VAL H H 8.059 0.030 1 392 41 41 VAL HA H 4.072 0.030 1 393 41 41 VAL HB H 1.948 0.030 1 394 41 41 VAL HG1 H 0.815 0.030 1 395 41 41 VAL HG2 H 1.056 0.030 1 396 41 41 VAL C C 172.020 0.300 1 397 41 41 VAL CA C 59.763 0.300 1 398 41 41 VAL CB C 31.000 0.300 1 399 41 41 VAL CG1 C 18.805 0.300 2 400 41 41 VAL CG2 C 19.875 0.300 2 401 41 41 VAL N N 124.545 0.300 1 402 42 42 LYS H H 8.439 0.030 1 403 42 42 LYS HA H 4.431 0.030 1 404 42 42 LYS HB2 H 1.544 0.030 2 405 42 42 LYS HB3 H 1.682 0.030 2 406 42 42 LYS HD2 H 1.593 0.030 1 407 42 42 LYS HD3 H 1.593 0.030 1 408 42 42 LYS HE2 H 2.894 0.030 1 409 42 42 LYS HE3 H 2.894 0.030 1 410 42 42 LYS HG2 H 1.265 0.030 1 411 42 42 LYS HG3 H 1.265 0.030 1 412 42 42 LYS C C 172.606 0.300 1 413 42 42 LYS CA C 52.270 0.300 1 414 42 42 LYS CB C 31.576 0.300 1 415 42 42 LYS CD C 26.739 0.300 1 416 42 42 LYS CE C 39.773 0.300 1 417 42 42 LYS CG C 22.451 0.300 1 418 42 42 LYS N N 127.556 0.300 1 419 43 43 ALA H H 8.424 0.030 1 420 43 43 ALA HA H 4.280 0.030 1 421 43 43 ALA HB H 1.300 0.030 1 422 43 43 ALA C C 176.039 0.300 1 423 43 43 ALA CA C 49.947 0.300 1 424 43 43 ALA CB C 18.120 0.300 1 425 43 43 ALA N N 127.235 0.300 1 426 44 44 MET H H 9.152 0.030 1 427 44 44 MET HA H 4.540 0.030 1 428 44 44 MET HB2 H 1.794 0.030 2 429 44 44 MET HB3 H 2.164 0.030 2 430 44 44 MET HE H 2.038 0.030 1 431 44 44 MET HG2 H 2.497 0.030 2 432 44 44 MET HG3 H 2.694 0.030 2 433 44 44 MET C C 174.596 0.300 1 434 44 44 MET CA C 51.811 0.300 1 435 44 44 MET CB C 31.087 0.300 1 436 44 44 MET CE C 15.170 0.300 1 437 44 44 MET CG C 30.398 0.300 1 438 44 44 MET N N 122.075 0.300 1 439 45 45 GLU H H 8.513 0.030 1 440 45 45 GLU HA H 3.944 0.030 1 441 45 45 GLU HB2 H 1.891 0.030 2 442 45 45 GLU HB3 H 1.961 0.030 2 443 45 45 GLU HG2 H 2.220 0.030 1 444 45 45 GLU HG3 H 2.220 0.030 1 445 45 45 GLU C C 174.389 0.300 1 446 45 45 GLU CA C 56.967 0.300 1 447 45 45 GLU CB C 27.087 0.300 1 448 45 45 GLU CG C 33.795 0.300 1 449 45 45 GLU N N 119.022 0.300 1 450 46 46 ASN H H 8.494 0.030 1 451 46 46 ASN HA H 4.501 0.030 1 452 46 46 ASN HB2 H 2.807 0.030 2 453 46 46 ASN HB3 H 2.902 0.030 2 454 46 46 ASN HD21 H 6.832 0.030 2 455 46 46 ASN HD22 H 7.514 0.030 2 456 46 46 ASN C C 171.575 0.300 1 457 46 46 ASN CA C 51.355 0.300 1 458 46 46 ASN CB C 35.469 0.300 1 459 46 46 ASN N N 114.368 0.300 1 460 46 46 ASN ND2 N 113.235 0.300 1 461 47 47 GLU H H 7.646 0.030 1 462 47 47 GLU HA H 4.877 0.030 1 463 47 47 GLU HB2 H 1.638 0.030 2 464 47 47 GLU HB3 H 2.094 0.030 2 465 47 47 GLU HG2 H 1.940 0.030 2 466 47 47 GLU HG3 H 2.038 0.030 2 467 47 47 GLU C C 173.370 0.300 1 468 47 47 GLU CA C 51.888 0.300 1 469 47 47 GLU CB C 30.390 0.300 1 470 47 47 GLU CG C 34.125 0.300 1 471 47 47 GLU N N 118.019 0.300 1 472 48 48 SER H H 8.256 0.030 1 473 48 48 SER HA H 3.944 0.030 1 474 48 48 SER HB2 H 3.315 0.030 2 475 48 48 SER HB3 H 3.660 0.030 2 476 48 48 SER C C 170.088 0.300 1 477 48 48 SER CA C 56.997 0.300 1 478 48 48 SER CB C 61.817 0.300 1 479 48 48 SER N N 117.717 0.300 1 480 49 49 GLU H H 7.949 0.030 1 481 49 49 GLU HA H 3.839 0.030 1 482 49 49 GLU HB2 H 1.803 0.030 2 483 49 49 GLU HB3 H 1.839 0.030 2 484 49 49 GLU HG2 H 2.177 0.030 2 485 49 49 GLU HG3 H 2.230 0.030 2 486 49 49 GLU C C 174.680 0.300 1 487 49 49 GLU CA C 54.433 0.300 1 488 49 49 GLU CB C 28.202 0.300 1 489 49 49 GLU CG C 33.902 0.300 1 490 49 49 GLU N N 119.992 0.300 1 491 50 50 VAL H H 8.257 0.030 1 492 50 50 VAL HA H 3.997 0.030 1 493 50 50 VAL HB H 1.999 0.030 1 494 50 50 VAL HG1 H 0.875 0.030 1 495 50 50 VAL HG2 H 0.845 0.030 1 496 50 50 VAL C C 175.638 0.300 1 497 50 50 VAL CA C 61.418 0.300 1 498 50 50 VAL CB C 30.153 0.300 1 499 50 50 VAL CG1 C 18.968 0.300 2 500 50 50 VAL CG2 C 20.286 0.300 2 501 50 50 VAL N N 123.502 0.300 1 502 51 51 THR H H 8.912 0.030 1 503 51 51 THR HA H 4.329 0.030 1 504 51 51 THR HB H 4.262 0.030 1 505 51 51 THR HG2 H 1.067 0.030 1 506 51 51 THR C C 171.891 0.300 1 507 51 51 THR CA C 58.743 0.300 1 508 51 51 THR CB C 66.906 0.300 1 509 51 51 THR CG2 C 19.780 0.300 1 510 51 51 THR N N 119.678 0.300 1 511 52 52 GLY H H 7.278 0.030 1 512 52 52 GLY HA2 H 3.659 0.030 2 513 52 52 GLY HA3 H 4.240 0.030 2 514 52 52 GLY C C 167.464 0.300 1 515 52 52 GLY CA C 42.505 0.300 1 516 52 52 GLY N N 110.073 0.300 1 517 53 53 TYR H H 9.055 0.030 1 518 53 53 TYR HA H 5.209 0.030 1 519 53 53 TYR HB2 H 2.679 0.030 2 520 53 53 TYR HB3 H 2.904 0.030 2 521 53 53 TYR HD1 H 6.970 0.030 1 522 53 53 TYR HD2 H 6.970 0.030 1 523 53 53 TYR HE1 H 6.691 0.030 1 524 53 53 TYR HE2 H 6.691 0.030 1 525 53 53 TYR C C 172.303 0.300 1 526 53 53 TYR CA C 54.348 0.300 1 527 53 53 TYR CB C 41.012 0.300 1 528 53 53 TYR CD1 C 130.675 0.300 1 529 53 53 TYR CD2 C 130.675 0.300 1 530 53 53 TYR CE1 C 116.076 0.300 1 531 53 53 TYR CE2 C 116.076 0.300 1 532 53 53 TYR N N 114.775 0.300 1 533 54 54 LYS H H 9.383 0.030 1 534 54 54 LYS HA H 4.898 0.030 1 535 54 54 LYS HB2 H 1.006 0.030 2 536 54 54 LYS HB3 H 1.183 0.030 2 537 54 54 LYS HD2 H 1.459 0.030 1 538 54 54 LYS HD3 H 1.459 0.030 1 539 54 54 LYS HE2 H 2.758 0.030 2 540 54 54 LYS HE3 H 2.809 0.030 2 541 54 54 LYS HG2 H 1.035 0.030 2 542 54 54 LYS HG3 H 1.103 0.030 2 543 54 54 LYS C C 171.867 0.300 1 544 54 54 LYS CA C 52.697 0.300 1 545 54 54 LYS CB C 35.856 0.300 1 546 54 54 LYS CD C 28.534 0.300 1 547 54 54 LYS CE C 39.832 0.300 1 548 54 54 LYS CG C 23.364 0.300 1 549 54 54 LYS N N 121.056 0.300 1 550 55 55 VAL H H 8.924 0.030 1 551 55 55 VAL HA H 4.202 0.030 1 552 55 55 VAL HB H 1.992 0.030 1 553 55 55 VAL HG1 H 0.559 0.030 1 554 55 55 VAL HG2 H 0.573 0.030 1 555 55 55 VAL C C 172.327 0.300 1 556 55 55 VAL CA C 58.779 0.300 1 557 55 55 VAL CB C 30.454 0.300 1 558 55 55 VAL CG1 C 19.081 0.300 2 559 55 55 VAL CG2 C 19.226 0.300 2 560 55 55 VAL N N 121.987 0.300 1 561 56 56 PHE H H 9.312 0.030 1 562 56 56 PHE HA H 5.276 0.030 1 563 56 56 PHE HB2 H 2.689 0.030 2 564 56 56 PHE HB3 H 3.018 0.030 2 565 56 56 PHE HD1 H 7.006 0.030 1 566 56 56 PHE HD2 H 7.006 0.030 1 567 56 56 PHE HE1 H 7.017 0.030 1 568 56 56 PHE HE2 H 7.017 0.030 1 569 56 56 PHE HZ H 7.101 0.030 1 570 56 56 PHE C C 173.322 0.300 1 571 56 56 PHE CA C 53.589 0.300 1 572 56 56 PHE CB C 37.374 0.300 1 573 56 56 PHE CD1 C 129.438 0.300 1 574 56 56 PHE CD2 C 129.438 0.300 1 575 56 56 PHE CE1 C 128.930 0.300 1 576 56 56 PHE CE2 C 128.930 0.300 1 577 56 56 PHE CZ C 126.678 0.300 1 578 56 56 PHE N N 127.177 0.300 1 579 57 57 TYR H H 9.191 0.030 1 580 57 57 TYR HA H 5.707 0.030 1 581 57 57 TYR HB2 H 2.227 0.030 2 582 57 57 TYR HB3 H 2.500 0.030 2 583 57 57 TYR HD1 H 6.521 0.030 1 584 57 57 TYR HD2 H 6.521 0.030 1 585 57 57 TYR HE1 H 6.405 0.030 1 586 57 57 TYR HE2 H 6.405 0.030 1 587 57 57 TYR C C 170.023 0.300 1 588 57 57 TYR CA C 52.579 0.300 1 589 57 57 TYR CB C 40.431 0.300 1 590 57 57 TYR CD1 C 130.867 0.300 1 591 57 57 TYR CD2 C 130.867 0.300 1 592 57 57 TYR CE1 C 115.474 0.300 1 593 57 57 TYR CE2 C 115.474 0.300 1 594 57 57 TYR N N 119.690 0.300 1 595 58 58 ARG H H 8.319 0.030 1 596 58 58 ARG HA H 4.882 0.030 1 597 58 58 ARG HB2 H 1.854 0.030 2 598 58 58 ARG HB3 H 1.955 0.030 2 599 58 58 ARG HD2 H 2.771 0.030 2 600 58 58 ARG HD3 H 3.068 0.030 2 601 58 58 ARG HG2 H 1.301 0.030 2 602 58 58 ARG HG3 H 1.465 0.030 2 603 58 58 ARG C C 172.752 0.300 1 604 58 58 ARG CA C 51.620 0.300 1 605 58 58 ARG CB C 30.941 0.300 1 606 58 58 ARG CD C 40.945 0.300 1 607 58 58 ARG CG C 23.702 0.300 1 608 58 58 ARG N N 117.279 0.300 1 609 59 59 THR H H 8.451 0.030 1 610 59 59 THR HA H 5.317 0.030 1 611 59 59 THR HB H 4.336 0.030 1 612 59 59 THR HG2 H 1.021 0.030 1 613 59 59 THR C C 175.020 0.300 1 614 59 59 THR CA C 58.176 0.300 1 615 59 59 THR CB C 67.713 0.300 1 616 59 59 THR CG2 C 19.725 0.300 1 617 59 59 THR N N 111.183 0.300 1 618 60 60 SER H H 8.240 0.030 1 619 60 60 SER HA H 3.888 0.030 1 620 60 60 SER HB2 H 3.682 0.030 2 621 60 60 SER HB3 H 3.879 0.030 2 622 60 60 SER C C 173.176 0.300 1 623 60 60 SER CA C 59.183 0.300 1 624 60 60 SER CB C 60.956 0.300 1 625 60 60 SER N N 113.613 0.300 1 626 61 61 SER H H 8.126 0.030 1 627 61 61 SER HA H 4.369 0.030 1 628 61 61 SER HB2 H 3.771 0.030 1 629 61 61 SER HB3 H 3.771 0.030 1 630 61 61 SER C C 172.291 0.300 1 631 61 61 SER CA C 56.826 0.300 1 632 61 61 SER CB C 61.097 0.300 1 633 61 61 SER N N 113.820 0.300 1 634 62 62 GLN H H 7.531 0.030 1 635 62 62 GLN HA H 4.302 0.030 1 636 62 62 GLN HB2 H 2.077 0.030 2 637 62 62 GLN HB3 H 2.115 0.030 2 638 62 62 GLN HE21 H 6.717 0.030 2 639 62 62 GLN HE22 H 7.472 0.030 2 640 62 62 GLN HG2 H 2.308 0.030 2 641 62 62 GLN HG3 H 2.395 0.030 2 642 62 62 GLN C C 173.201 0.300 1 643 62 62 GLN CA C 53.199 0.300 1 644 62 62 GLN CB C 28.205 0.300 1 645 62 62 GLN CG C 31.837 0.300 1 646 62 62 GLN N N 121.471 0.300 1 647 62 62 GLN NE2 N 111.715 0.300 1 648 63 63 ASN H H 7.455 0.030 1 649 63 63 ASN HA H 4.610 0.030 1 650 63 63 ASN HB2 H 2.621 0.030 2 651 63 63 ASN HB3 H 2.728 0.030 2 652 63 63 ASN HD21 H 6.798 0.030 2 653 63 63 ASN HD22 H 7.473 0.030 2 654 63 63 ASN C C 172.399 0.300 1 655 63 63 ASN CA C 51.090 0.300 1 656 63 63 ASN CB C 36.758 0.300 1 657 63 63 ASN ND2 N 112.790 0.300 1 658 64 64 ASN H H 7.841 0.030 1 659 64 64 ASN HA H 4.685 0.030 1 660 64 64 ASN HB2 H 2.612 0.030 1 661 64 64 ASN HB3 H 2.612 0.030 1 662 64 64 ASN HD21 H 6.799 0.030 2 663 64 64 ASN HD22 H 7.469 0.030 2 664 64 64 ASN C C 171.429 0.300 1 665 64 64 ASN CA C 50.140 0.300 1 666 64 64 ASN CB C 36.951 0.300 1 667 64 64 ASN N N 117.115 0.300 1 668 64 64 ASN ND2 N 112.673 0.300 1 669 65 65 VAL H H 8.098 0.030 1 670 65 65 VAL HA H 4.032 0.030 1 671 65 65 VAL HB H 1.898 0.030 1 672 65 65 VAL HG1 H 0.804 0.030 1 673 65 65 VAL HG2 H 0.817 0.030 1 674 65 65 VAL C C 173.128 0.300 1 675 65 65 VAL CA C 59.465 0.300 1 676 65 65 VAL CB C 31.104 0.300 1 677 65 65 VAL CG1 C 18.768 0.300 2 678 65 65 VAL CG2 C 19.342 0.300 2 679 65 65 VAL N N 118.927 0.300 1 680 66 66 GLN H H 8.313 0.030 1 681 66 66 GLN HA H 4.272 0.030 1 682 66 66 GLN HB2 H 0.529 0.030 2 683 66 66 GLN HB3 H 1.483 0.030 2 684 66 66 GLN HE21 H 6.783 0.030 2 685 66 66 GLN HE22 H 7.237 0.030 2 686 66 66 GLN HG2 H 2.012 0.030 1 687 66 66 GLN HG3 H 2.012 0.030 1 688 66 66 GLN C C 171.357 0.300 1 689 66 66 GLN CA C 52.058 0.300 1 690 66 66 GLN CB C 28.459 0.300 1 691 66 66 GLN CG C 32.464 0.300 1 692 66 66 GLN N N 125.042 0.300 1 693 66 66 GLN NE2 N 111.920 0.300 1 694 67 67 VAL H H 8.073 0.030 1 695 67 67 VAL HA H 4.907 0.030 1 696 67 67 VAL HB H 1.582 0.030 1 697 67 67 VAL HG1 H 0.361 0.030 1 698 67 67 VAL HG2 H 0.339 0.030 1 699 67 67 VAL C C 173.249 0.300 1 700 67 67 VAL CA C 58.094 0.300 1 701 67 67 VAL CB C 32.701 0.300 1 702 67 67 VAL CG1 C 18.244 0.300 2 703 67 67 VAL CG2 C 19.347 0.300 2 704 67 67 VAL N N 118.031 0.300 1 705 68 68 LEU H H 9.122 0.030 1 706 68 68 LEU HA H 4.705 0.030 1 707 68 68 LEU HB2 H 1.601 0.030 1 708 68 68 LEU HB3 H 1.601 0.030 1 709 68 68 LEU HD1 H 0.863 0.030 1 710 68 68 LEU HD2 H 0.803 0.030 1 711 68 68 LEU HG H 1.545 0.030 1 712 68 68 LEU C C 172.606 0.300 1 713 68 68 LEU CA C 51.301 0.300 1 714 68 68 LEU CB C 42.804 0.300 1 715 68 68 LEU CD1 C 22.783 0.300 2 716 68 68 LEU CD2 C 23.357 0.300 2 717 68 68 LEU CG C 24.948 0.300 1 718 68 68 LEU N N 130.054 0.300 1 719 69 69 ASN H H 8.784 0.030 1 720 69 69 ASN HA H 5.264 0.030 1 721 69 69 ASN HB2 H 2.593 0.030 2 722 69 69 ASN HB3 H 2.642 0.030 2 723 69 69 ASN HD21 H 6.651 0.030 2 724 69 69 ASN HD22 H 7.377 0.030 2 725 69 69 ASN C C 172.231 0.300 1 726 69 69 ASN CA C 50.598 0.300 1 727 69 69 ASN CB C 38.293 0.300 1 728 69 69 ASN N N 124.026 0.300 1 729 69 69 ASN ND2 N 111.776 0.300 1 730 70 70 THR H H 8.864 0.030 1 731 70 70 THR HA H 4.975 0.030 1 732 70 70 THR HB H 4.313 0.030 1 733 70 70 THR HG2 H 1.508 0.030 1 734 70 70 THR C C 169.639 0.300 1 735 70 70 THR CA C 57.140 0.300 1 736 70 70 THR CB C 68.075 0.300 1 737 70 70 THR CG2 C 17.700 0.300 1 738 70 70 THR N N 116.028 0.300 1 739 71 71 ASN H H 9.044 0.030 1 740 71 71 ASN HA H 5.089 0.030 1 741 71 71 ASN HB2 H 2.909 0.030 2 742 71 71 ASN HB3 H 3.026 0.030 2 743 71 71 ASN HD21 H 6.812 0.030 2 744 71 71 ASN HD22 H 7.569 0.030 2 745 71 71 ASN C C 172.569 0.300 1 746 71 71 ASN CA C 50.950 0.300 1 747 71 71 ASN CB C 36.384 0.300 1 748 71 71 ASN ND2 N 110.925 0.300 1 749 72 72 LYS H H 8.222 0.030 1 750 72 72 LYS HA H 4.730 0.030 1 751 72 72 LYS HB2 H 1.747 0.030 2 752 72 72 LYS HB3 H 1.858 0.030 2 753 72 72 LYS HD2 H 1.533 0.030 1 754 72 72 LYS HD3 H 1.533 0.030 1 755 72 72 LYS HE2 H 2.884 0.030 1 756 72 72 LYS HE3 H 2.884 0.030 1 757 72 72 LYS HG2 H 1.377 0.030 1 758 72 72 LYS HG3 H 1.377 0.030 1 759 72 72 LYS C C 172.556 0.300 1 760 72 72 LYS CA C 52.269 0.300 1 761 72 72 LYS CB C 32.524 0.300 1 762 72 72 LYS CD C 26.834 0.300 1 763 72 72 LYS CE C 39.791 0.300 1 764 72 72 LYS CG C 21.645 0.300 1 765 72 72 LYS N N 119.775 0.300 1 766 73 73 THR H H 7.406 0.030 1 767 73 73 THR HA H 3.125 0.030 1 768 73 73 THR HB H 3.753 0.030 1 769 73 73 THR HG2 H 0.665 0.030 1 770 73 73 THR C C 169.573 0.300 1 771 73 73 THR CA C 56.933 0.300 1 772 73 73 THR CB C 63.439 0.300 1 773 73 73 THR CG2 C 18.639 0.300 1 774 73 73 THR N N 108.265 0.300 1 775 74 74 SER H H 6.546 0.030 1 776 74 74 SER HA H 4.174 0.030 1 777 74 74 SER HB2 H 3.429 0.030 2 778 74 74 SER HB3 H 3.575 0.030 2 779 74 74 SER C C 170.513 0.300 1 780 74 74 SER CA C 53.944 0.300 1 781 74 74 SER CB C 63.514 0.300 1 782 74 74 SER N N 110.302 0.300 1 783 75 75 ALA H H 8.344 0.030 1 784 75 75 ALA HA H 4.540 0.030 1 785 75 75 ALA HB H 1.403 0.030 1 786 75 75 ALA C C 172.219 0.300 1 787 75 75 ALA CA C 49.172 0.300 1 788 75 75 ALA CB C 21.105 0.300 1 789 75 75 ALA N N 119.247 0.300 1 790 76 76 GLU H H 8.085 0.030 1 791 76 76 GLU HA H 5.379 0.030 1 792 76 76 GLU HB2 H 1.763 0.030 1 793 76 76 GLU HB3 H 1.763 0.030 1 794 76 76 GLU HG2 H 2.032 0.030 1 795 76 76 GLU HG3 H 2.032 0.030 1 796 76 76 GLU C C 172.108 0.300 1 797 76 76 GLU CA C 52.041 0.300 1 798 76 76 GLU CB C 30.780 0.300 1 799 76 76 GLU CG C 33.820 0.300 1 800 76 76 GLU N N 117.825 0.300 1 801 77 77 LEU H H 8.745 0.030 1 802 77 77 LEU HA H 4.548 0.030 1 803 77 77 LEU HB2 H 1.083 0.030 2 804 77 77 LEU HB3 H 1.118 0.030 2 805 77 77 LEU HD1 H -0.103 0.030 1 806 77 77 LEU HD2 H -0.105 0.030 1 807 77 77 LEU HG H 0.980 0.030 1 808 77 77 LEU C C 173.976 0.300 1 809 77 77 LEU CA C 50.536 0.300 1 810 77 77 LEU CB C 43.748 0.300 1 811 77 77 LEU CD1 C 23.246 0.300 2 812 77 77 LEU CD2 C 20.790 0.300 2 813 77 77 LEU CG C 24.553 0.300 1 814 77 77 LEU N N 120.629 0.300 1 815 78 78 VAL H H 8.109 0.030 1 816 78 78 VAL HA H 4.137 0.030 1 817 78 78 VAL HB H 2.109 0.030 1 818 78 78 VAL HG1 H 0.960 0.030 1 819 78 78 VAL HG2 H 0.915 0.030 1 820 78 78 VAL C C 174.366 0.300 1 821 78 78 VAL CA C 60.097 0.300 1 822 78 78 VAL CB C 29.737 0.300 1 823 78 78 VAL CG1 C 19.069 0.300 2 824 78 78 VAL CG2 C 17.946 0.300 2 825 78 78 VAL N N 117.702 0.300 1 826 79 79 LEU H H 8.018 0.030 1 827 79 79 LEU HA H 4.116 0.030 1 828 79 79 LEU HB2 H 1.026 0.030 2 829 79 79 LEU HB3 H 1.364 0.030 2 830 79 79 LEU HD1 H 0.562 0.030 1 831 79 79 LEU HD2 H 0.602 0.030 1 832 79 79 LEU HG H 1.159 0.030 1 833 79 79 LEU C C 172.813 0.300 1 834 79 79 LEU CA C 51.196 0.300 1 835 79 79 LEU CB C 39.794 0.300 1 836 79 79 LEU CD1 C 21.108 0.300 2 837 79 79 LEU CD2 C 23.050 0.300 2 838 79 79 LEU CG C 24.222 0.300 1 839 79 79 LEU N N 125.059 0.300 1 840 80 80 PRO HA H 4.266 0.030 1 841 80 80 PRO HB2 H 1.871 0.030 1 842 80 80 PRO HB3 H 1.871 0.030 1 843 80 80 PRO HD2 H 3.324 0.030 2 844 80 80 PRO HD3 H 3.475 0.030 2 845 80 80 PRO HG2 H 1.983 0.030 1 846 80 80 PRO HG3 H 1.983 0.030 1 847 80 80 PRO C C 173.127 0.300 1 848 80 80 PRO CA C 60.071 0.300 1 849 80 80 PRO CB C 27.241 0.300 1 850 80 80 PRO CD C 47.930 0.300 1 851 80 80 PRO CG C 24.900 0.300 1 852 81 81 ILE H H 7.620 0.030 1 853 81 81 ILE HA H 4.154 0.030 1 854 81 81 ILE HB H 1.825 0.030 1 855 81 81 ILE HD1 H 0.716 0.030 1 856 81 81 ILE HG12 H 1.100 0.030 2 857 81 81 ILE HG13 H 1.306 0.030 2 858 81 81 ILE HG2 H 0.775 0.030 1 859 81 81 ILE C C 174.606 0.300 1 860 81 81 ILE CA C 59.407 0.300 1 861 81 81 ILE CB C 36.211 0.300 1 862 81 81 ILE CD1 C 10.079 0.300 1 863 81 81 ILE CG1 C 24.780 0.300 1 864 81 81 ILE CG2 C 15.409 0.300 1 865 81 81 ILE N N 120.610 0.300 1 866 82 82 LYS H H 8.259 0.030 1 867 82 82 LYS HA H 4.203 0.030 1 868 82 82 LYS HB2 H 1.785 0.030 2 869 82 82 LYS HB3 H 1.737 0.030 2 870 82 82 LYS HD2 H 1.590 0.030 1 871 82 82 LYS HD3 H 1.590 0.030 1 872 82 82 LYS HE2 H 2.889 0.030 1 873 82 82 LYS HE3 H 2.889 0.030 1 874 82 82 LYS HG2 H 1.304 0.030 2 875 82 82 LYS HG3 H 1.390 0.030 2 876 82 82 LYS CA C 54.968 0.300 1 877 82 82 LYS CB C 31.100 0.300 1 878 82 82 LYS CD C 26.754 0.300 1 879 82 82 LYS CE C 39.794 0.300 1 880 82 82 LYS CG C 22.918 0.300 1 881 83 83 GLU H H 7.666 0.030 1 882 83 83 GLU HA H 4.359 0.030 1 883 83 83 GLU HB2 H 1.708 0.030 2 884 83 83 GLU HB3 H 2.127 0.030 2 885 83 83 GLU HG2 H 2.113 0.030 2 886 83 83 GLU HG3 H 2.215 0.030 2 887 83 83 GLU C C 170.966 0.300 1 888 83 83 GLU CA C 52.490 0.300 1 889 83 83 GLU CB C 32.673 0.300 1 890 83 83 GLU CG C 34.479 0.300 1 891 84 84 ASP H H 8.122 0.030 1 892 84 84 ASP HA H 4.432 0.030 1 893 84 84 ASP HB2 H 2.354 0.030 2 894 84 84 ASP HB3 H 2.469 0.030 2 895 84 84 ASP C C 174.317 0.300 1 896 84 84 ASP CA C 52.024 0.300 1 897 84 84 ASP CB C 39.230 0.300 1 898 84 84 ASP N N 119.367 0.300 1 899 85 85 TYR H H 8.227 0.030 1 900 85 85 TYR HA H 5.420 0.030 1 901 85 85 TYR HB2 H 2.560 0.030 2 902 85 85 TYR HB3 H 2.706 0.030 2 903 85 85 TYR HD1 H 6.750 0.030 1 904 85 85 TYR HD2 H 6.750 0.030 1 905 85 85 TYR HE1 H 6.766 0.030 1 906 85 85 TYR HE2 H 6.766 0.030 1 907 85 85 TYR C C 173.977 0.300 1 908 85 85 TYR CA C 52.850 0.300 1 909 85 85 TYR CB C 39.773 0.300 1 910 85 85 TYR CD1 C 128.422 0.300 1 911 85 85 TYR CD2 C 128.422 0.300 1 912 85 85 TYR CE1 C 115.760 0.300 1 913 85 85 TYR CE2 C 115.760 0.300 1 914 85 85 TYR N N 115.492 0.300 1 915 86 86 ILE H H 8.821 0.030 1 916 86 86 ILE HA H 4.677 0.030 1 917 86 86 ILE HB H 1.461 0.030 1 918 86 86 ILE HD1 H 0.631 0.030 1 919 86 86 ILE HG12 H 0.982 0.030 2 920 86 86 ILE HG13 H 1.235 0.030 2 921 86 86 ILE HG2 H 0.637 0.030 1 922 86 86 ILE C C 174.147 0.300 1 923 86 86 ILE CA C 58.726 0.300 1 924 86 86 ILE CB C 37.114 0.300 1 925 86 86 ILE CD1 C 10.434 0.300 1 926 86 86 ILE CG1 C 25.554 0.300 1 927 86 86 ILE CG2 C 16.052 0.300 1 928 86 86 ILE N N 119.959 0.300 1 929 87 87 ILE H H 9.040 0.030 1 930 87 87 ILE HA H 5.273 0.030 1 931 87 87 ILE HB H 1.479 0.030 1 932 87 87 ILE HD1 H 0.411 0.030 1 933 87 87 ILE HG12 H 0.851 0.030 2 934 87 87 ILE HG13 H 1.228 0.030 2 935 87 87 ILE HG2 H 0.543 0.030 1 936 87 87 ILE C C 172.279 0.300 1 937 87 87 ILE CA C 56.843 0.300 1 938 87 87 ILE CB C 39.979 0.300 1 939 87 87 ILE CD1 C 12.634 0.300 1 940 87 87 ILE CG1 C 25.964 0.300 1 941 87 87 ILE CG2 C 15.925 0.300 1 942 87 87 ILE N N 126.604 0.300 1 943 88 88 GLU H H 8.669 0.030 1 944 88 88 GLU HA H 4.338 0.030 1 945 88 88 GLU HB2 H 1.842 0.030 2 946 88 88 GLU HB3 H 1.931 0.030 2 947 88 88 GLU HG2 H 1.944 0.030 2 948 88 88 GLU HG3 H 2.074 0.030 2 949 88 88 GLU C C 170.969 0.300 1 950 88 88 GLU CA C 53.166 0.300 1 951 88 88 GLU CB C 32.231 0.300 1 952 88 88 GLU CG C 34.131 0.300 1 953 88 88 GLU N N 121.315 0.300 1 954 89 89 VAL H H 8.499 0.030 1 955 89 89 VAL HA H 4.916 0.030 1 956 89 89 VAL HB H 1.003 0.030 1 957 89 89 VAL HG1 H -0.519 0.030 1 958 89 89 VAL HG2 H 0.097 0.030 1 959 89 89 VAL C C 172.606 0.300 1 960 89 89 VAL CA C 58.228 0.300 1 961 89 89 VAL CB C 32.290 0.300 1 962 89 89 VAL CG1 C 17.185 0.300 2 963 89 89 VAL CG2 C 18.441 0.300 2 964 89 89 VAL N N 120.960 0.300 1 965 90 90 LYS H H 8.841 0.030 1 966 90 90 LYS HA H 4.662 0.030 1 967 90 90 LYS HB2 H 1.397 0.030 2 968 90 90 LYS HB3 H 1.802 0.030 2 969 90 90 LYS HD2 H 1.411 0.030 2 970 90 90 LYS HD3 H 1.788 0.030 2 971 90 90 LYS HE2 H 2.267 0.030 2 972 90 90 LYS HE3 H 2.544 0.030 2 973 90 90 LYS HG2 H 1.140 0.030 1 974 90 90 LYS HG3 H 1.140 0.030 1 975 90 90 LYS C C 173.237 0.300 1 976 90 90 LYS CA C 52.639 0.300 1 977 90 90 LYS CB C 35.662 0.300 1 978 90 90 LYS CD C 27.730 0.300 1 979 90 90 LYS CE C 39.339 0.300 1 980 90 90 LYS CG C 22.735 0.300 1 981 90 90 LYS N N 121.874 0.300 1 982 91 91 ALA H H 9.822 0.030 1 983 91 91 ALA HA H 4.560 0.030 1 984 91 91 ALA HB H 1.272 0.030 1 985 91 91 ALA C C 174.001 0.300 1 986 91 91 ALA CA C 49.507 0.300 1 987 91 91 ALA CB C 17.611 0.300 1 988 91 91 ALA N N 123.501 0.300 1 989 92 92 THR H H 8.467 0.030 1 990 92 92 THR HA H 4.834 0.030 1 991 92 92 THR HB H 3.617 0.030 1 992 92 92 THR HG2 H 0.764 0.030 1 993 92 92 THR C C 169.792 0.300 1 994 92 92 THR CA C 58.238 0.300 1 995 92 92 THR CB C 68.458 0.300 1 996 92 92 THR CG2 C 17.423 0.300 1 997 92 92 THR N N 114.932 0.300 1 998 93 93 THR H H 7.518 0.030 1 999 93 93 THR HA H 5.047 0.030 1 1000 93 93 THR HB H 4.097 0.030 1 1001 93 93 THR HG2 H 0.950 0.030 1 1002 93 93 THR C C 172.897 0.300 1 1003 93 93 THR CA C 57.987 0.300 1 1004 93 93 THR CB C 71.468 0.300 1 1005 93 93 THR CG2 C 20.107 0.300 1 1006 93 93 THR N N 112.987 0.300 1 1007 94 94 ASP H H 9.467 0.030 1 1008 94 94 ASP HA H 4.415 0.030 1 1009 94 94 ASP HB2 H 2.528 0.030 2 1010 94 94 ASP HB3 H 2.610 0.030 2 1011 94 94 ASP C C 174.317 0.300 1 1012 94 94 ASP CA C 54.114 0.300 1 1013 94 94 ASP CB C 37.863 0.300 1 1014 94 94 ASP N N 120.820 0.300 1 1015 95 95 GLY H H 8.307 0.030 1 1016 95 95 GLY HA2 H 3.455 0.030 2 1017 95 95 GLY HA3 H 4.260 0.030 2 1018 95 95 GLY C C 171.162 0.300 1 1019 95 95 GLY CA C 42.653 0.300 1 1020 95 95 GLY N N 106.734 0.300 1 1021 96 96 GLY H H 7.250 0.030 1 1022 96 96 GLY HA2 H 3.700 0.030 2 1023 96 96 GLY HA3 H 4.453 0.030 2 1024 96 96 GLY C C 171.308 0.300 1 1025 96 96 GLY CA C 41.082 0.300 1 1026 96 96 GLY N N 108.325 0.300 1 1027 97 97 ASP H H 8.454 0.030 1 1028 97 97 ASP HA H 5.027 0.030 1 1029 97 97 ASP HB2 H 2.503 0.030 2 1030 97 97 ASP HB3 H 2.648 0.030 2 1031 97 97 ASP C C 175.299 0.300 1 1032 97 97 ASP CA C 51.816 0.300 1 1033 97 97 ASP CB C 39.448 0.300 1 1034 97 97 ASP N N 119.936 0.300 1 1035 98 98 GLY H H 8.840 0.030 1 1036 98 98 GLY HA2 H 3.738 0.030 2 1037 98 98 GLY HA3 H 4.156 0.030 2 1038 98 98 GLY C C 170.168 0.300 1 1039 98 98 GLY CA C 41.569 0.300 1 1040 98 98 GLY N N 106.077 0.300 1 1041 99 99 THR H H 7.257 0.030 1 1042 99 99 THR HA H 3.970 0.030 1 1043 99 99 THR HB H 3.655 0.030 1 1044 99 99 THR HG2 H 1.265 0.030 1 1045 99 99 THR C C 172.704 0.300 1 1046 99 99 THR CA C 59.975 0.300 1 1047 99 99 THR CB C 67.780 0.300 1 1048 99 99 THR CG2 C 20.231 0.300 1 1049 99 99 THR N N 112.640 0.300 1 1050 100 100 SER H H 8.650 0.030 1 1051 100 100 SER HA H 4.432 0.030 1 1052 100 100 SER HB2 H 3.573 0.030 2 1053 100 100 SER HB3 H 3.777 0.030 2 1054 100 100 SER C C 173.103 0.300 1 1055 100 100 SER CA C 57.572 0.300 1 1056 100 100 SER CB C 62.271 0.300 1 1057 100 100 SER N N 120.026 0.300 1 1058 101 101 SER H H 8.740 0.030 1 1059 101 101 SER HA H 4.201 0.030 1 1060 101 101 SER HB2 H 3.736 0.030 2 1061 101 101 SER HB3 H 4.285 0.030 2 1062 101 101 SER C C 170.957 0.300 1 1063 101 101 SER CA C 56.427 0.300 1 1064 101 101 SER CB C 63.498 0.300 1 1065 101 101 SER N N 115.907 0.300 1 1066 102 102 GLU H H 8.385 0.030 1 1067 102 102 GLU HA H 4.095 0.030 1 1068 102 102 GLU HB2 H 1.932 0.030 2 1069 102 102 GLU HB3 H 1.967 0.030 2 1070 102 102 GLU HG2 H 2.283 0.030 1 1071 102 102 GLU HG3 H 2.283 0.030 1 1072 102 102 GLU C C 174.062 0.300 1 1073 102 102 GLU CA C 54.790 0.300 1 1074 102 102 GLU CB C 27.827 0.300 1 1075 102 102 GLU CG C 33.770 0.300 1 1076 102 102 GLU N N 118.468 0.300 1 1077 103 103 GLN H H 8.494 0.030 1 1078 103 103 GLN HA H 4.582 0.030 1 1079 103 103 GLN HB2 H 1.744 0.030 2 1080 103 103 GLN HB3 H 1.914 0.030 2 1081 103 103 GLN HE21 H 6.622 0.030 2 1082 103 103 GLN HE22 H 7.585 0.030 2 1083 103 103 GLN HG2 H 2.010 0.030 2 1084 103 103 GLN HG3 H 2.330 0.030 2 1085 103 103 GLN C C 173.979 0.300 1 1086 103 103 GLN CA C 53.790 0.300 1 1087 103 103 GLN CB C 27.526 0.300 1 1088 103 103 GLN CG C 32.703 0.300 1 1089 103 103 GLN N N 123.020 0.300 1 1090 103 103 GLN NE2 N 111.591 0.300 1 1091 104 104 ILE H H 8.941 0.030 1 1092 104 104 ILE HA H 4.398 0.030 1 1093 104 104 ILE HB H 1.644 0.030 1 1094 104 104 ILE HD1 H 0.693 0.030 1 1095 104 104 ILE HG12 H 1.122 0.030 2 1096 104 104 ILE HG13 H 1.237 0.030 2 1097 104 104 ILE HG2 H 0.734 0.030 1 1098 104 104 ILE C C 171.569 0.300 1 1099 104 104 ILE CA C 56.968 0.300 1 1100 104 104 ILE CB C 38.305 0.300 1 1101 104 104 ILE CD1 C 11.206 0.300 1 1102 104 104 ILE CG1 C 24.730 0.300 1 1103 104 104 ILE CG2 C 15.580 0.300 1 1104 104 104 ILE N N 124.205 0.300 1 1105 105 105 ARG H H 8.394 0.030 1 1106 105 105 ARG HA H 5.197 0.030 1 1107 105 105 ARG HB2 H 1.532 0.030 2 1108 105 105 ARG HB3 H 1.666 0.030 2 1109 105 105 ARG HD2 H 3.028 0.030 2 1110 105 105 ARG HD3 H 3.117 0.030 2 1111 105 105 ARG HG2 H 1.056 0.030 2 1112 105 105 ARG HG3 H 1.380 0.030 2 1113 105 105 ARG C C 172.945 0.300 1 1114 105 105 ARG CA C 51.568 0.300 1 1115 105 105 ARG CB C 29.988 0.300 1 1116 105 105 ARG CD C 41.000 0.300 1 1117 105 105 ARG CG C 25.925 0.300 1 1118 105 105 ARG N N 125.459 0.300 1 1119 106 106 ILE H H 8.722 0.030 1 1120 106 106 ILE HA H 3.815 0.030 1 1121 106 106 ILE HB H 1.398 0.030 1 1122 106 106 ILE HD1 H -0.006 0.030 1 1123 106 106 ILE HG12 H 0.741 0.030 2 1124 106 106 ILE HG13 H -0.627 0.030 2 1125 106 106 ILE HG2 H -0.228 0.030 1 1126 106 106 ILE C C 170.729 0.300 1 1127 106 106 ILE CA C 54.891 0.300 1 1128 106 106 ILE CB C 36.490 0.300 1 1129 106 106 ILE CD1 C 11.590 0.300 1 1130 106 106 ILE CG1 C 23.560 0.300 1 1131 106 106 ILE CG2 C 12.900 0.300 1 1132 106 106 ILE N N 127.313 0.300 1 1133 107 107 PRO HA H 4.158 0.030 1 1134 107 107 PRO HB2 H 1.830 0.030 2 1135 107 107 PRO HB3 H 2.147 0.030 2 1136 107 107 PRO HD2 H 3.458 0.030 2 1137 107 107 PRO HD3 H 3.796 0.030 2 1138 107 107 PRO HG2 H 1.834 0.030 2 1139 107 107 PRO HG3 H 2.048 0.030 2 1140 107 107 PRO C C 173.346 0.300 1 1141 107 107 PRO CA C 59.327 0.300 1 1142 107 107 PRO CB C 30.165 0.300 1 1143 107 107 PRO CD C 49.344 0.300 1 1144 107 107 PRO CG C 24.891 0.300 1 1145 108 108 ARG H H 8.252 0.030 1 1146 108 108 ARG HA H 3.972 0.030 1 1147 108 108 ARG HB2 H 1.263 0.030 2 1148 108 108 ARG HB3 H 1.384 0.030 2 1149 108 108 ARG HD2 H 2.768 0.030 2 1150 108 108 ARG HD3 H 2.838 0.030 2 1151 108 108 ARG HG2 H 1.234 0.030 2 1152 108 108 ARG HG3 H 1.390 0.030 2 1153 108 108 ARG C C 173.844 0.300 1 1154 108 108 ARG CA C 52.998 0.300 1 1155 108 108 ARG CB C 27.986 0.300 1 1156 108 108 ARG CD C 41.510 0.300 1 1157 108 108 ARG CG C 23.573 0.300 1 1158 108 108 ARG N N 118.655 0.300 1 1159 109 109 ILE H H 8.104 0.030 1 1160 109 109 ILE HA H 4.074 0.030 1 1161 109 109 ILE HB H 1.723 0.030 1 1162 109 109 ILE HD1 H 0.740 0.030 1 1163 109 109 ILE HG12 H 1.188 0.030 2 1164 109 109 ILE HG13 H 1.392 0.030 2 1165 109 109 ILE HG2 H 0.827 0.030 1 1166 109 109 ILE C C 173.965 0.300 1 1167 109 109 ILE CA C 58.515 0.300 1 1168 109 109 ILE CB C 36.237 0.300 1 1169 109 109 ILE CD1 C 10.415 0.300 1 1170 109 109 ILE CG1 C 25.032 0.300 1 1171 109 109 ILE CG2 C 15.560 0.300 1 1172 109 109 ILE N N 122.535 0.300 1 1173 110 110 THR H H 8.122 0.030 1 1174 110 110 THR HA H 4.328 0.030 1 1175 110 110 THR HB H 4.169 0.030 1 1176 110 110 THR HG2 H 1.097 0.030 1 1177 110 110 THR C C 172.256 0.300 1 1178 110 110 THR CA C 59.056 0.300 1 1179 110 110 THR CB C 67.702 0.300 1 1180 110 110 THR CG2 C 19.245 0.300 1 1181 110 110 THR N N 117.147 0.300 1 1182 111 111 SER H H 8.912 0.030 1 1183 112 112 SER HA H 4.444 0.030 1 1184 112 112 SER HB2 H 3.792 0.030 1 1185 112 112 SER HB3 H 3.792 0.030 1 1186 113 113 GLY H H 8.141 0.030 1 1187 113 113 GLY HA2 H 4.049 0.030 1 1188 113 113 GLY HA3 H 4.049 0.030 1 1189 113 113 GLY CA C 42.321 0.300 1 1190 113 113 GLY N N 110.291 0.300 1 1191 114 114 PRO HA H 4.404 0.030 1 1192 114 114 PRO HB2 H 1.896 0.030 2 1193 114 114 PRO HB3 H 2.222 0.030 2 1194 114 114 PRO HD2 H 3.550 0.030 1 1195 114 114 PRO HD3 H 3.550 0.030 1 1196 114 114 PRO HG2 H 1.944 0.030 1 1197 114 114 PRO HG3 H 1.944 0.030 1 1198 114 114 PRO C C 175.046 0.300 1 1199 114 114 PRO CA C 60.943 0.300 1 1200 114 114 PRO CB C 29.924 0.300 1 1201 114 114 PRO CD C 47.504 0.300 1 1202 114 114 PRO CG C 24.875 0.300 1 1203 115 115 SER H H 8.471 0.030 1 1204 115 115 SER HA H 4.429 0.030 1 1205 115 115 SER HB2 H 3.828 0.030 1 1206 115 115 SER HB3 H 3.828 0.030 1 1207 115 115 SER C C 172.231 0.300 1 1208 115 115 SER CA C 55.981 0.300 1 1209 115 115 SER CB C 61.525 0.300 1 1210 115 115 SER N N 115.999 0.300 1 1211 116 116 SER H H 8.206 0.030 1 1212 116 116 SER HA H 4.359 0.030 1 1213 116 116 SER HB2 H 3.792 0.030 1 1214 116 116 SER HB3 H 3.792 0.030 1 1215 116 116 SER C C 171.514 0.300 1 1216 116 116 SER CA C 55.911 0.300 1 1217 116 116 SER CB C 61.854 0.300 1 1218 116 116 SER N N 117.417 0.300 1 1219 117 117 GLY H H 7.907 0.030 1 1220 117 117 GLY C C 176.569 0.300 1 1221 117 117 GLY CA C 43.842 0.300 1 1222 117 117 GLY N N 116.401 0.300 1 stop_ save_