data_10079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of putative domain of human KIAA0561 protein ; _BMRB_accession_number 10079 _BMRB_flat_file_name bmr10079.str _Entry_type original _Submission_date 2007-01-23 _Accession_date 2007-01-24 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 580 "13C chemical shifts" 453 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of putative domain of human KIAA0561 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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'KIAA0561 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA0561 protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'putative domain (residues 180-280)' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGPKATAQMEGRLQE FLTAYAPGARLALADGVLGF IHHQIVELARDCLAKSGENL VTSRYFLEMQEKLERLLQDA HERSDSEEVSFIVQLVRKLL IIISRPARSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LYS 10 ALA 11 THR 12 ALA 13 GLN 14 MET 15 GLU 16 GLY 17 ARG 18 LEU 19 GLN 20 GLU 21 PHE 22 LEU 23 THR 24 ALA 25 TYR 26 ALA 27 PRO 28 GLY 29 ALA 30 ARG 31 LEU 32 ALA 33 LEU 34 ALA 35 ASP 36 GLY 37 VAL 38 LEU 39 GLY 40 PHE 41 ILE 42 HIS 43 HIS 44 GLN 45 ILE 46 VAL 47 GLU 48 LEU 49 ALA 50 ARG 51 ASP 52 CYS 53 LEU 54 ALA 55 LYS 56 SER 57 GLY 58 GLU 59 ASN 60 LEU 61 VAL 62 THR 63 SER 64 ARG 65 TYR 66 PHE 67 LEU 68 GLU 69 MET 70 GLN 71 GLU 72 LYS 73 LEU 74 GLU 75 ARG 76 LEU 77 LEU 78 GLN 79 ASP 80 ALA 81 HIS 82 GLU 83 ARG 84 SER 85 ASP 86 SER 87 GLU 88 GLU 89 VAL 90 SER 91 PHE 92 ILE 93 VAL 94 GLN 95 LEU 96 VAL 97 ARG 98 LYS 99 LEU 100 LEU 101 ILE 102 ILE 103 ILE 104 SER 105 ARG 106 PRO 107 ALA 108 ARG 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1V9V "Solution Structure Of Putative Domain Of Human Kiaa0561 Protein" 100.00 114 100.00 100.00 9.77e-75 DBJ BAA25487 "KIAA0561 protein [Homo sapiens]" 88.60 1308 100.00 100.00 1.46e-58 DBJ BAI45348 "microtubule associated serine/threonine kinase 3 [synthetic construct]" 88.60 1309 100.00 100.00 1.46e-58 GB AAC62830 "KIAA0561 protein [AA 1- 593] [Homo sapiens]" 88.60 593 100.00 100.00 1.39e-59 GB EAW84657 "hCG36884, isoform CRA_a, partial [Homo sapiens]" 88.60 1229 100.00 100.00 9.96e-59 GB EHH29807 "Microtubule-associated serine/threonine-protein kinase 3, partial [Macaca mulatta]" 88.60 1294 100.00 100.00 1.48e-58 GB EHH59364 "hypothetical protein EGM_09451, partial [Macaca fascicularis]" 88.60 1097 100.00 100.00 1.51e-58 REF NP_055831 "microtubule-associated serine/threonine-protein kinase 3 [Homo sapiens]" 88.60 1309 100.00 100.00 1.46e-58 REF XP_001115216 "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 [Macaca mulatta]" 88.60 1429 100.00 100.00 9.64e-59 REF XP_003915213 "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 isoform X10 [Papio anubis]" 88.60 1309 100.00 100.00 1.60e-58 REF XP_004060339 "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 [Gorilla gorilla gorilla]" 88.60 1309 100.00 100.00 1.46e-58 REF XP_005259879 "PREDICTED: microtubule-associated serine/threonine-protein kinase 3 isoform X4 [Homo sapiens]" 88.60 1496 100.00 100.00 1.35e-58 SP O60307 "RecName: Full=Microtubule-associated serine/threonine-protein kinase 3" 88.60 1309 100.00 100.00 1.46e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030723-16 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 1.3 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 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 0.853 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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_ _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 'KIAA0561 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 7 7 GLY HA2 H 4.162 0.030 1 2 7 7 GLY HA3 H 4.162 0.030 1 3 7 7 GLY CA C 44.775 0.300 1 4 8 8 PRO HA H 4.459 0.030 1 5 8 8 PRO HB2 H 2.320 0.030 2 6 8 8 PRO HB3 H 1.947 0.030 2 7 8 8 PRO HG2 H 2.046 0.030 1 8 8 8 PRO HG3 H 2.046 0.030 1 9 8 8 PRO HD2 H 3.669 0.030 1 10 8 8 PRO HD3 H 3.669 0.030 1 11 8 8 PRO C C 177.612 0.300 1 12 8 8 PRO CA C 63.470 0.300 1 13 8 8 PRO CB C 32.204 0.300 1 14 8 8 PRO CG C 27.273 0.300 1 15 8 8 PRO CD C 49.915 0.300 1 16 9 9 LYS H H 8.459 0.030 1 17 9 9 LYS HA H 4.349 0.030 1 18 9 9 LYS HB2 H 1.909 0.030 2 19 9 9 LYS HB3 H 1.849 0.030 2 20 9 9 LYS HG2 H 1.485 0.030 2 21 9 9 LYS HD2 H 1.732 0.030 2 22 9 9 LYS HE2 H 3.014 0.030 2 23 9 9 LYS CA C 56.811 0.300 1 24 9 9 LYS CB C 33.010 0.300 1 25 9 9 LYS CD C 29.171 0.300 1 26 9 9 LYS CE C 42.186 0.300 1 27 9 9 LYS N N 121.314 0.300 1 28 10 10 ALA HA H 4.322 0.030 1 29 10 10 ALA HB H 1.502 0.030 1 30 10 10 ALA C C 179.343 0.300 1 31 10 10 ALA CA C 54.097 0.300 1 32 10 10 ALA CB C 18.895 0.300 1 33 11 11 THR H H 7.926 0.030 1 34 11 11 THR HA H 4.311 0.030 1 35 11 11 THR HB H 4.425 0.030 1 36 11 11 THR HG2 H 1.271 0.030 1 37 11 11 THR C C 175.056 0.300 1 38 11 11 THR CA C 63.167 0.300 1 39 11 11 THR CB C 69.111 0.300 1 40 11 11 THR CG2 C 22.149 0.300 1 41 11 11 THR N N 111.023 0.300 1 42 12 12 ALA H H 8.007 0.030 1 43 12 12 ALA HA H 4.246 0.030 1 44 12 12 ALA HB H 1.518 0.030 1 45 12 12 ALA C C 180.023 0.300 1 46 12 12 ALA CA C 54.644 0.300 1 47 12 12 ALA CB C 18.686 0.300 1 48 12 12 ALA N N 125.193 0.300 1 49 13 13 GLN H H 8.430 0.030 1 50 13 13 GLN HA H 4.222 0.030 1 51 13 13 GLN HB2 H 2.182 0.030 1 52 13 13 GLN HB3 H 2.182 0.030 1 53 13 13 GLN HG2 H 2.491 0.030 2 54 13 13 GLN HG3 H 2.356 0.030 2 55 13 13 GLN HE21 H 7.589 0.030 2 56 13 13 GLN HE22 H 6.944 0.030 2 57 13 13 GLN C C 178.169 0.300 1 58 13 13 GLN CA C 58.324 0.300 1 59 13 13 GLN CB C 28.780 0.300 1 60 13 13 GLN CG C 34.267 0.300 1 61 13 13 GLN N N 118.824 0.300 1 62 13 13 GLN NE2 N 112.348 0.300 1 63 14 14 MET H H 8.307 0.030 1 64 14 14 MET HA H 4.060 0.030 1 65 14 14 MET HB2 H 2.239 0.030 2 66 14 14 MET HG2 H 2.615 0.030 2 67 14 14 MET HG3 H 2.301 0.030 2 68 14 14 MET HE H 2.082 0.030 1 69 14 14 MET C C 178.216 0.300 1 70 14 14 MET CA C 59.616 0.300 1 71 14 14 MET CB C 33.072 0.300 1 72 14 14 MET CG C 31.192 0.300 1 73 14 14 MET CE C 16.900 0.300 1 74 14 14 MET N N 121.451 0.300 1 75 15 15 GLU H H 8.746 0.030 1 76 15 15 GLU HA H 3.855 0.030 1 77 15 15 GLU HB2 H 2.152 0.030 2 78 15 15 GLU HB3 H 2.028 0.030 2 79 15 15 GLU HG2 H 2.537 0.030 2 80 15 15 GLU HG3 H 2.178 0.030 2 81 15 15 GLU C C 179.010 0.300 1 82 15 15 GLU CA C 60.731 0.300 1 83 15 15 GLU CB C 29.270 0.300 1 84 15 15 GLU CG C 37.182 0.300 1 85 15 15 GLU N N 118.377 0.300 1 86 16 16 GLY H H 8.117 0.030 1 87 16 16 GLY HA2 H 4.036 0.030 2 88 16 16 GLY HA3 H 3.960 0.030 2 89 16 16 GLY C C 177.169 0.300 1 90 16 16 GLY CA C 47.295 0.300 1 91 16 16 GLY N N 106.197 0.300 1 92 17 17 ARG H H 7.994 0.030 1 93 17 17 ARG HA H 4.285 0.030 1 94 17 17 ARG HB2 H 2.059 0.030 2 95 17 17 ARG HB3 H 1.898 0.030 2 96 17 17 ARG HG2 H 2.003 0.030 2 97 17 17 ARG HG3 H 1.845 0.030 2 98 17 17 ARG HD2 H 3.264 0.030 1 99 17 17 ARG HD3 H 3.264 0.030 1 100 17 17 ARG C C 180.742 0.300 1 101 17 17 ARG CA C 59.165 0.300 1 102 17 17 ARG CB C 31.220 0.300 1 103 17 17 ARG CG C 27.618 0.300 1 104 17 17 ARG CD C 43.861 0.300 1 105 17 17 ARG N N 121.165 0.300 1 106 18 18 LEU H H 8.868 0.030 1 107 18 18 LEU HA H 4.153 0.030 1 108 18 18 LEU HB2 H 2.303 0.030 2 109 18 18 LEU HB3 H 1.360 0.030 2 110 18 18 LEU HG H 1.846 0.030 1 111 18 18 LEU HD1 H 0.960 0.030 1 112 18 18 LEU HD2 H 0.796 0.030 1 113 18 18 LEU C C 178.547 0.300 1 114 18 18 LEU CA C 58.156 0.300 1 115 18 18 LEU CB C 42.901 0.300 1 116 18 18 LEU CG C 27.042 0.300 1 117 18 18 LEU CD1 C 26.232 0.300 2 118 18 18 LEU CD2 C 23.166 0.300 2 119 18 18 LEU N N 122.490 0.300 1 120 19 19 GLN H H 8.485 0.030 1 121 19 19 GLN HA H 4.170 0.030 1 122 19 19 GLN HB2 H 2.350 0.030 2 123 19 19 GLN HB3 H 2.234 0.030 2 124 19 19 GLN HG2 H 2.559 0.030 2 125 19 19 GLN HG3 H 2.484 0.030 2 126 19 19 GLN HE21 H 7.715 0.030 2 127 19 19 GLN HE22 H 6.787 0.030 2 128 19 19 GLN C C 179.132 0.300 1 129 19 19 GLN CA C 59.507 0.300 1 130 19 19 GLN CB C 28.248 0.300 1 131 19 19 GLN CG C 34.050 0.300 1 132 19 19 GLN N N 119.272 0.300 1 133 19 19 GLN NE2 N 112.079 0.300 1 134 20 20 GLU H H 8.022 0.030 1 135 20 20 GLU HA H 4.063 0.030 1 136 20 20 GLU HB2 H 2.237 0.030 2 137 20 20 GLU HB3 H 2.182 0.030 2 138 20 20 GLU HG2 H 2.491 0.030 2 139 20 20 GLU HG3 H 2.290 0.030 2 140 20 20 GLU C C 178.718 0.300 1 141 20 20 GLU CA C 59.685 0.300 1 142 20 20 GLU CB C 29.846 0.300 1 143 20 20 GLU CG C 36.494 0.300 1 144 20 20 GLU N N 119.869 0.300 1 145 21 21 PHE H H 8.198 0.030 1 146 21 21 PHE HA H 4.267 0.030 1 147 21 21 PHE HB2 H 3.658 0.030 2 148 21 21 PHE HB3 H 3.260 0.030 2 149 21 21 PHE HD1 H 7.221 0.030 1 150 21 21 PHE HD2 H 7.221 0.030 1 151 21 21 PHE HE1 H 7.168 0.030 1 152 21 21 PHE HE2 H 7.168 0.030 1 153 21 21 PHE HZ H 6.951 0.030 1 154 21 21 PHE C C 176.584 0.300 1 155 21 21 PHE CA C 61.501 0.300 1 156 21 21 PHE CB C 39.676 0.300 1 157 21 21 PHE CD1 C 131.904 0.300 1 158 21 21 PHE CD2 C 131.904 0.300 1 159 21 21 PHE CE1 C 131.043 0.300 1 160 21 21 PHE CE2 C 131.043 0.300 1 161 21 21 PHE CZ C 129.985 0.300 1 162 21 21 PHE N N 122.418 0.300 1 163 22 22 LEU H H 8.619 0.030 1 164 22 22 LEU HA H 3.995 0.030 1 165 22 22 LEU HB2 H 2.139 0.030 2 166 22 22 LEU HB3 H 1.545 0.030 2 167 22 22 LEU HG H 2.089 0.030 1 168 22 22 LEU HD1 H 0.954 0.030 1 169 22 22 LEU HD2 H 1.137 0.030 1 170 22 22 LEU C C 179.510 0.300 1 171 22 22 LEU CA C 57.963 0.300 1 172 22 22 LEU CB C 42.223 0.300 1 173 22 22 LEU CG C 27.493 0.300 1 174 22 22 LEU CD1 C 26.567 0.300 2 175 22 22 LEU CD2 C 25.216 0.300 2 176 22 22 LEU N N 119.208 0.300 1 177 23 23 THR H H 8.227 0.030 1 178 23 23 THR HA H 3.920 0.030 1 179 23 23 THR HB H 4.197 0.030 1 180 23 23 THR HG2 H 1.225 0.030 1 181 23 23 THR C C 175.718 0.300 1 182 23 23 THR CA C 65.996 0.300 1 183 23 23 THR CB C 69.020 0.300 1 184 23 23 THR CG2 C 21.799 0.300 1 185 23 23 THR N N 115.392 0.300 1 186 24 24 ALA H H 7.701 0.030 1 187 24 24 ALA HA H 3.927 0.030 1 188 24 24 ALA HB H 0.648 0.030 1 189 24 24 ALA C C 180.010 0.300 1 190 24 24 ALA CA C 54.418 0.300 1 191 24 24 ALA CB C 18.110 0.300 1 192 24 24 ALA N N 121.361 0.300 1 193 25 25 TYR H H 7.787 0.030 1 194 25 25 TYR HA H 4.898 0.030 1 195 25 25 TYR HB2 H 3.051 0.030 2 196 25 25 TYR HB3 H 1.994 0.030 2 197 25 25 TYR HD1 H 6.490 0.030 1 198 25 25 TYR HD2 H 6.490 0.030 1 199 25 25 TYR HE1 H 6.668 0.030 1 200 25 25 TYR HE2 H 6.668 0.030 1 201 25 25 TYR C C 175.281 0.300 1 202 25 25 TYR CA C 57.128 0.300 1 203 25 25 TYR CB C 38.701 0.300 1 204 25 25 TYR CD1 C 133.726 0.300 1 205 25 25 TYR CD2 C 133.726 0.300 1 206 25 25 TYR CE1 C 117.199 0.300 1 207 25 25 TYR CE2 C 117.199 0.300 1 208 25 25 TYR N N 111.811 0.300 1 209 26 26 ALA H H 7.582 0.030 1 210 26 26 ALA HA H 4.448 0.030 1 211 26 26 ALA HB H 1.508 0.030 1 212 26 26 ALA C C 175.718 0.300 1 213 26 26 ALA CA C 52.179 0.300 1 214 26 26 ALA CB C 17.305 0.300 1 215 26 26 ALA N N 123.479 0.300 1 216 27 27 PRO HA H 4.390 0.030 1 217 27 27 PRO HB2 H 2.041 0.030 2 218 27 27 PRO HB3 H 1.822 0.030 2 219 27 27 PRO HG2 H 1.702 0.030 2 220 27 27 PRO HD2 H 3.607 0.030 2 221 27 27 PRO HD3 H 3.535 0.030 2 222 27 27 PRO C C 177.383 0.300 1 223 27 27 PRO CA C 63.960 0.300 1 224 27 27 PRO CB C 31.691 0.300 1 225 27 27 PRO CD C 50.483 0.300 1 226 28 28 GLY H H 8.495 0.030 1 227 28 28 GLY HA2 H 4.157 0.030 2 228 28 28 GLY HA3 H 3.884 0.030 2 229 28 28 GLY C C 174.286 0.300 1 230 28 28 GLY CA C 45.569 0.300 1 231 28 28 GLY N N 109.274 0.300 1 232 29 29 ALA HA H 4.193 0.030 1 233 29 29 ALA HB H 1.424 0.030 1 234 29 29 ALA C C 178.192 0.300 1 235 29 29 ALA CA C 53.885 0.300 1 236 29 29 ALA CB C 19.006 0.300 1 237 30 30 ARG H H 8.003 0.030 1 238 30 30 ARG HA H 4.361 0.030 1 239 30 30 ARG HB2 H 1.898 0.030 2 240 30 30 ARG HB3 H 1.797 0.030 2 241 30 30 ARG HG2 H 1.624 0.030 2 242 30 30 ARG HD2 H 3.122 0.030 2 243 30 30 ARG C C 175.865 0.300 1 244 30 30 ARG CA C 55.883 0.300 1 245 30 30 ARG CB C 31.197 0.300 1 246 30 30 ARG CG C 26.742 0.300 1 247 30 30 ARG CD C 43.220 0.300 1 248 30 30 ARG N N 115.396 0.300 1 249 31 31 LEU H H 7.846 0.030 1 250 31 31 LEU HA H 4.314 0.030 1 251 31 31 LEU HB2 H 1.609 0.030 2 252 31 31 LEU HB3 H 1.524 0.030 2 253 31 31 LEU HG H 1.545 0.030 1 254 31 31 LEU HD1 H 0.878 0.030 1 255 31 31 LEU HD2 H 0.833 0.030 1 256 31 31 LEU C C 175.803 0.300 1 257 31 31 LEU CA C 55.121 0.300 1 258 31 31 LEU CB C 42.579 0.300 1 259 31 31 LEU CG C 27.191 0.300 1 260 31 31 LEU CD1 C 24.684 0.300 2 261 31 31 LEU CD2 C 24.317 0.300 2 262 31 31 LEU N N 121.612 0.300 1 263 32 32 ALA H H 8.145 0.030 1 264 32 32 ALA HA H 4.447 0.030 1 265 32 32 ALA HB H 1.348 0.030 1 266 32 32 ALA C C 177.272 0.300 1 267 32 32 ALA CA C 52.170 0.300 1 268 32 32 ALA CB C 19.725 0.300 1 269 32 32 ALA N N 126.285 0.300 1 270 33 33 LEU H H 8.554 0.030 1 271 33 33 LEU HA H 4.249 0.030 1 272 33 33 LEU HB2 H 1.530 0.030 1 273 33 33 LEU HB3 H 1.530 0.030 1 274 33 33 LEU HG H 1.748 0.030 1 275 33 33 LEU HD1 H 0.878 0.030 1 276 33 33 LEU HD2 H 0.663 0.030 1 277 33 33 LEU CA C 54.844 0.300 1 278 33 33 LEU CB C 41.181 0.300 1 279 33 33 LEU CG C 27.199 0.300 1 280 33 33 LEU CD1 C 26.230 0.300 2 281 33 33 LEU CD2 C 22.837 0.300 2 282 33 33 LEU N N 122.982 0.300 1 283 34 34 ALA HA H 4.194 0.030 1 284 34 34 ALA HB H 1.476 0.030 1 285 34 34 ALA C C 179.343 0.300 1 286 34 34 ALA CA C 53.850 0.300 1 287 34 34 ALA CB C 19.134 0.300 1 288 35 35 ASP H H 8.797 0.030 1 289 35 35 ASP HA H 4.643 0.030 1 290 35 35 ASP HB2 H 2.940 0.030 2 291 35 35 ASP HB3 H 2.756 0.030 2 292 35 35 ASP C C 177.685 0.300 1 293 35 35 ASP CA C 54.167 0.300 1 294 35 35 ASP CB C 42.244 0.300 1 295 35 35 ASP N N 119.869 0.300 1 296 36 36 GLY H H 8.856 0.030 1 297 36 36 GLY HA2 H 4.014 0.030 1 298 36 36 GLY HA3 H 4.014 0.030 1 299 36 36 GLY C C 177.016 0.300 1 300 36 36 GLY CA C 47.013 0.300 1 301 36 36 GLY N N 114.246 0.300 1 302 37 37 VAL H H 8.265 0.030 1 303 37 37 VAL HA H 3.974 0.030 1 304 37 37 VAL HB H 2.201 0.030 1 305 37 37 VAL HG1 H 1.014 0.030 1 306 37 37 VAL HG2 H 1.072 0.030 1 307 37 37 VAL C C 178.766 0.300 1 308 37 37 VAL CA C 66.281 0.300 1 309 37 37 VAL CB C 31.647 0.300 1 310 37 37 VAL CG1 C 20.944 0.300 2 311 37 37 VAL CG2 C 22.270 0.300 2 312 37 37 VAL N N 123.450 0.300 1 313 38 38 LEU H H 8.223 0.030 1 314 38 38 LEU HA H 4.196 0.030 1 315 38 38 LEU HB2 H 2.127 0.030 2 316 38 38 LEU HB3 H 1.457 0.030 2 317 38 38 LEU HG H 1.932 0.030 1 318 38 38 LEU HD1 H 1.075 0.030 1 319 38 38 LEU HD2 H 0.971 0.030 1 320 38 38 LEU C C 179.662 0.300 1 321 38 38 LEU CA C 57.709 0.300 1 322 38 38 LEU CB C 40.974 0.300 1 323 38 38 LEU CG C 26.740 0.300 1 324 38 38 LEU CD1 C 27.603 0.300 2 325 38 38 LEU CD2 C 22.959 0.300 2 326 38 38 LEU N N 119.029 0.300 1 327 39 39 GLY H H 8.910 0.030 1 328 39 39 GLY HA2 H 4.238 0.030 2 329 39 39 GLY HA3 H 4.101 0.030 2 330 39 39 GLY C C 176.304 0.300 1 331 39 39 GLY CA C 47.753 0.300 1 332 39 39 GLY N N 107.333 0.300 1 333 40 40 PHE H H 7.921 0.030 1 334 40 40 PHE HA H 4.631 0.030 1 335 40 40 PHE HB2 H 3.484 0.030 2 336 40 40 PHE HB3 H 3.377 0.030 2 337 40 40 PHE HD1 H 7.353 0.030 1 338 40 40 PHE HD2 H 7.353 0.030 1 339 40 40 PHE HZ H 7.298 0.030 1 340 40 40 PHE C C 178.193 0.300 1 341 40 40 PHE CA C 60.699 0.300 1 342 40 40 PHE CB C 38.710 0.300 1 343 40 40 PHE CD1 C 131.863 0.300 1 344 40 40 PHE CD2 C 131.863 0.300 1 345 40 40 PHE CZ C 130.086 0.300 1 346 40 40 PHE N N 124.102 0.300 1 347 41 41 ILE H H 8.333 0.030 1 348 41 41 ILE HA H 3.626 0.030 1 349 41 41 ILE HB H 2.100 0.030 1 350 41 41 ILE HG12 H 2.142 0.030 2 351 41 41 ILE HG13 H 1.220 0.030 2 352 41 41 ILE HG2 H 1.014 0.030 1 353 41 41 ILE HD1 H 0.936 0.030 1 354 41 41 ILE C C 177.376 0.300 1 355 41 41 ILE CA C 66.560 0.300 1 356 41 41 ILE CB C 38.278 0.300 1 357 41 41 ILE CG1 C 29.287 0.300 1 358 41 41 ILE CG2 C 18.307 0.300 1 359 41 41 ILE CD1 C 14.194 0.300 1 360 41 41 ILE N N 122.346 0.300 1 361 42 42 HIS H H 8.909 0.030 1 362 42 42 HIS HA H 4.200 0.030 1 363 42 42 HIS HB2 H 3.858 0.030 2 364 42 42 HIS HB3 H 3.296 0.030 2 365 42 42 HIS HD2 H 6.885 0.030 1 366 42 42 HIS HE1 H 7.648 0.030 1 367 42 42 HIS C C 177.297 0.300 1 368 42 42 HIS CA C 58.855 0.300 1 369 42 42 HIS CB C 32.604 0.300 1 370 42 42 HIS CD2 C 115.612 0.300 1 371 42 42 HIS CE1 C 137.873 0.300 1 372 42 42 HIS N N 120.615 0.300 1 373 43 43 HIS H H 8.039 0.030 1 374 43 43 HIS HA H 3.954 0.030 1 375 43 43 HIS HB2 H 3.321 0.030 2 376 43 43 HIS HB3 H 3.254 0.030 2 377 43 43 HIS HD2 H 6.900 0.030 1 378 43 43 HIS HE1 H 7.776 0.030 1 379 43 43 HIS C C 177.612 0.300 1 380 43 43 HIS CA C 60.769 0.300 1 381 43 43 HIS CB C 30.216 0.300 1 382 43 43 HIS CD2 C 120.271 0.300 1 383 43 43 HIS CE1 C 138.532 0.300 1 384 43 43 HIS N N 117.017 0.300 1 385 44 44 GLN H H 8.314 0.030 1 386 44 44 GLN HA H 3.861 0.030 1 387 44 44 GLN HB2 H 2.217 0.030 2 388 44 44 GLN HB3 H 1.961 0.030 2 389 44 44 GLN HG2 H 2.037 0.030 2 390 44 44 GLN HG3 H 1.945 0.030 2 391 44 44 GLN HE21 H 6.894 0.030 2 392 44 44 GLN HE22 H 6.294 0.030 2 393 44 44 GLN C C 179.074 0.300 1 394 44 44 GLN CA C 59.278 0.300 1 395 44 44 GLN CB C 30.020 0.300 1 396 44 44 GLN CG C 35.004 0.300 1 397 44 44 GLN N N 118.252 0.300 1 398 44 44 GLN NE2 N 112.178 0.300 1 399 45 45 ILE H H 8.641 0.030 1 400 45 45 ILE HA H 3.445 0.030 1 401 45 45 ILE HB H 2.131 0.030 1 402 45 45 ILE HG12 H 2.073 0.030 2 403 45 45 ILE HG13 H 0.757 0.030 2 404 45 45 ILE HG2 H 0.949 0.030 1 405 45 45 ILE HD1 H 0.863 0.030 1 406 45 45 ILE C C 177.449 0.300 1 407 45 45 ILE CA C 66.239 0.300 1 408 45 45 ILE CB C 38.288 0.300 1 409 45 45 ILE CG1 C 30.280 0.300 1 410 45 45 ILE CG2 C 17.816 0.300 1 411 45 45 ILE CD1 C 16.974 0.300 1 412 45 45 ILE N N 120.615 0.300 1 413 46 46 VAL H H 7.896 0.030 1 414 46 46 VAL HA H 3.719 0.030 1 415 46 46 VAL HB H 2.235 0.030 1 416 46 46 VAL HG1 H 1.029 0.030 1 417 46 46 VAL HG2 H 1.115 0.030 1 418 46 46 VAL C C 177.816 0.300 1 419 46 46 VAL CA C 67.481 0.300 1 420 46 46 VAL CB C 31.153 0.300 1 421 46 46 VAL CG1 C 21.634 0.300 2 422 46 46 VAL CG2 C 23.822 0.300 2 423 46 46 VAL N N 118.526 0.300 1 424 47 47 GLU H H 8.410 0.030 1 425 47 47 GLU HA H 4.093 0.030 1 426 47 47 GLU HB2 H 2.195 0.030 2 427 47 47 GLU HB3 H 2.044 0.030 2 428 47 47 GLU HG2 H 2.157 0.030 2 429 47 47 GLU HG3 H 2.119 0.030 2 430 47 47 GLU C C 179.754 0.300 1 431 47 47 GLU CA C 59.349 0.300 1 432 47 47 GLU CB C 29.144 0.300 1 433 47 47 GLU CG C 36.377 0.300 1 434 47 47 GLU N N 120.018 0.300 1 435 48 48 LEU H H 8.083 0.030 1 436 48 48 LEU HA H 4.228 0.030 1 437 48 48 LEU HB2 H 2.075 0.030 2 438 48 48 LEU HB3 H 1.472 0.030 2 439 48 48 LEU HG H 1.954 0.030 1 440 48 48 LEU HD1 H 0.830 0.030 1 441 48 48 LEU HD2 H 0.908 0.030 1 442 48 48 LEU C C 179.730 0.300 1 443 48 48 LEU CA C 58.115 0.300 1 444 48 48 LEU CB C 41.424 0.300 1 445 48 48 LEU CG C 26.841 0.300 1 446 48 48 LEU CD1 C 26.069 0.300 2 447 48 48 LEU CD2 C 23.761 0.300 2 448 48 48 LEU N N 121.510 0.300 1 449 49 49 ALA H H 8.048 0.030 1 450 49 49 ALA HA H 3.905 0.030 1 451 49 49 ALA HB H 1.576 0.030 1 452 49 49 ALA C C 178.791 0.300 1 453 49 49 ALA CA C 55.771 0.300 1 454 49 49 ALA CB C 18.564 0.300 1 455 49 49 ALA N N 122.107 0.300 1 456 50 50 ARG H H 8.781 0.030 1 457 50 50 ARG HA H 3.918 0.030 1 458 50 50 ARG HB2 H 2.023 0.030 2 459 50 50 ARG HB3 H 1.955 0.030 2 460 50 50 ARG HG2 H 1.935 0.030 2 461 50 50 ARG HG3 H 1.713 0.030 2 462 50 50 ARG HD2 H 3.263 0.030 1 463 50 50 ARG HD3 H 3.263 0.030 1 464 50 50 ARG C C 179.482 0.300 1 465 50 50 ARG CA C 60.354 0.300 1 466 50 50 ARG CB C 30.199 0.300 1 467 50 50 ARG CG C 28.456 0.300 1 468 50 50 ARG CD C 43.225 0.300 1 469 50 50 ARG N N 118.227 0.300 1 470 51 51 ASP H H 8.457 0.030 1 471 51 51 ASP HA H 4.429 0.030 1 472 51 51 ASP HB2 H 2.872 0.030 1 473 51 51 ASP HB3 H 2.872 0.030 1 474 51 51 ASP C C 176.820 0.300 1 475 51 51 ASP CA C 57.976 0.300 1 476 51 51 ASP CB C 42.303 0.300 1 477 51 51 ASP N N 121.361 0.300 1 478 52 52 CYS H H 8.257 0.030 1 479 52 52 CYS HA H 4.107 0.030 1 480 52 52 CYS HB2 H 3.373 0.030 2 481 52 52 CYS HB3 H 3.076 0.030 2 482 52 52 CYS C C 176.974 0.300 1 483 52 52 CYS CA C 62.565 0.300 1 484 52 52 CYS CB C 26.573 0.300 1 485 52 52 CYS N N 119.570 0.300 1 486 53 53 LEU H H 8.238 0.030 1 487 53 53 LEU HA H 3.987 0.030 1 488 53 53 LEU HB2 H 2.105 0.030 2 489 53 53 LEU HB3 H 1.548 0.030 2 490 53 53 LEU HG H 1.649 0.030 1 491 53 53 LEU HD1 H 0.955 0.030 1 492 53 53 LEU HD2 H 1.108 0.030 1 493 53 53 LEU C C 179.035 0.300 1 494 53 53 LEU CA C 58.330 0.300 1 495 53 53 LEU CB C 42.087 0.300 1 496 53 53 LEU CG C 27.043 0.300 1 497 53 53 LEU CD1 C 26.576 0.300 2 498 53 53 LEU CD2 C 23.859 0.300 2 499 53 53 LEU N N 120.619 0.300 1 500 54 54 ALA H H 8.129 0.030 1 501 54 54 ALA HA H 4.125 0.030 1 502 54 54 ALA HB H 1.552 0.030 1 503 54 54 ALA C C 180.937 0.300 1 504 54 54 ALA CA C 55.100 0.300 1 505 54 54 ALA CB C 18.091 0.300 1 506 54 54 ALA N N 123.002 0.300 1 507 55 55 LYS H H 8.652 0.030 1 508 55 55 LYS HA H 3.914 0.030 1 509 55 55 LYS HB2 H 1.515 0.030 2 510 55 55 LYS HB3 H 1.146 0.030 2 511 55 55 LYS HG2 H 1.310 0.030 2 512 55 55 LYS HG3 H 1.203 0.030 2 513 55 55 LYS HD2 H 1.309 0.030 1 514 55 55 LYS HD3 H 1.309 0.030 1 515 55 55 LYS HE2 H 2.975 0.030 2 516 55 55 LYS HE3 H 2.888 0.030 2 517 55 55 LYS C C 179.579 0.300 1 518 55 55 LYS CA C 58.461 0.300 1 519 55 55 LYS CB C 32.307 0.300 1 520 55 55 LYS CG C 26.192 0.300 1 521 55 55 LYS CD C 28.348 0.300 1 522 55 55 LYS CE C 42.431 0.300 1 523 55 55 LYS N N 118.117 0.300 1 524 56 56 SER H H 8.490 0.030 1 525 56 56 SER HA H 4.103 0.030 1 526 56 56 SER HB2 H 4.047 0.030 2 527 56 56 SER HB3 H 3.931 0.030 2 528 56 56 SER C C 178.486 0.300 1 529 56 56 SER CA C 62.309 0.300 1 530 56 56 SER CB C 62.909 0.300 1 531 56 56 SER N N 116.441 0.300 1 532 57 57 GLY H H 7.938 0.030 1 533 57 57 GLY HA2 H 4.043 0.030 2 534 57 57 GLY HA3 H 3.992 0.030 2 535 57 57 GLY C C 175.010 0.300 1 536 57 57 GLY CA C 46.813 0.300 1 537 57 57 GLY N N 108.507 0.300 1 538 58 58 GLU H H 7.238 0.030 1 539 58 58 GLU HA H 4.421 0.030 1 540 58 58 GLU HB2 H 2.262 0.030 2 541 58 58 GLU HB3 H 1.792 0.030 2 542 58 58 GLU HG2 H 2.352 0.030 2 543 58 58 GLU HG3 H 2.250 0.030 2 544 58 58 GLU C C 175.365 0.300 1 545 58 58 GLU CA C 55.683 0.300 1 546 58 58 GLU CB C 30.874 0.300 1 547 58 58 GLU CG C 36.574 0.300 1 548 58 58 GLU N N 117.630 0.300 1 549 59 59 ASN H H 8.084 0.030 1 550 59 59 ASN HA H 4.588 0.030 1 551 59 59 ASN HB2 H 3.122 0.030 2 552 59 59 ASN HB3 H 2.852 0.030 2 553 59 59 ASN HD21 H 7.555 0.030 2 554 59 59 ASN HD22 H 6.840 0.030 2 555 59 59 ASN C C 175.474 0.300 1 556 59 59 ASN CA C 54.414 0.300 1 557 59 59 ASN CB C 37.338 0.300 1 558 59 59 ASN N N 115.691 0.300 1 559 59 59 ASN ND2 N 112.909 0.300 1 560 60 60 LEU H H 8.173 0.030 1 561 60 60 LEU HA H 4.524 0.030 1 562 60 60 LEU HB2 H 1.624 0.030 2 563 60 60 LEU HB3 H 1.391 0.030 2 564 60 60 LEU HG H 1.558 0.030 1 565 60 60 LEU HD1 H 0.883 0.030 1 566 60 60 LEU HD2 H 0.847 0.030 1 567 60 60 LEU C C 177.474 0.300 1 568 60 60 LEU CA C 54.326 0.300 1 569 60 60 LEU CB C 43.628 0.300 1 570 60 60 LEU CG C 26.144 0.300 1 571 60 60 LEU CD1 C 25.771 0.300 2 572 60 60 LEU CD2 C 22.594 0.300 2 573 60 60 LEU N N 116.249 0.300 1 574 61 61 VAL H H 7.347 0.030 1 575 61 61 VAL HA H 3.678 0.030 1 576 61 61 VAL HB H 1.806 0.030 1 577 61 61 VAL HG1 H 0.411 0.030 1 578 61 61 VAL HG2 H 0.784 0.030 1 579 61 61 VAL C C 174.998 0.300 1 580 61 61 VAL CA C 62.390 0.300 1 581 61 61 VAL CB C 31.845 0.300 1 582 61 61 VAL CG1 C 22.596 0.300 2 583 61 61 VAL CG2 C 20.293 0.300 2 584 61 61 VAL N N 114.945 0.300 1 585 62 62 THR H H 6.799 0.030 1 586 62 62 THR HA H 4.673 0.030 1 587 62 62 THR HB H 4.688 0.030 1 588 62 62 THR HG2 H 1.228 0.030 1 589 62 62 THR C C 174.893 0.300 1 590 62 62 THR CA C 59.736 0.300 1 591 62 62 THR CB C 72.645 0.300 1 592 62 62 THR CG2 C 21.668 0.300 1 593 62 62 THR N N 113.154 0.300 1 594 63 63 SER HA H 4.499 0.030 1 595 63 63 SER HB2 H 4.088 0.030 2 596 63 63 SER CA C 61.993 0.300 1 597 63 63 SER CB C 62.623 0.300 1 598 64 64 ARG HA H 4.135 0.030 1 599 64 64 ARG HB2 H 1.892 0.030 2 600 64 64 ARG HG2 H 1.783 0.030 2 601 64 64 ARG HG3 H 1.696 0.030 2 602 64 64 ARG HD2 H 3.232 0.030 2 603 64 64 ARG C C 177.334 0.300 1 604 64 64 ARG CA C 58.890 0.300 1 605 64 64 ARG CB C 29.607 0.300 1 606 64 64 ARG CG C 27.002 0.300 1 607 64 64 ARG CD C 43.220 0.300 1 608 65 65 TYR H H 7.885 0.030 1 609 65 65 TYR HA H 4.053 0.030 1 610 65 65 TYR HB2 H 3.178 0.030 2 611 65 65 TYR HB3 H 2.909 0.030 2 612 65 65 TYR HD1 H 6.551 0.030 1 613 65 65 TYR HD2 H 6.551 0.030 1 614 65 65 TYR HE1 H 6.732 0.030 1 615 65 65 TYR HE2 H 6.732 0.030 1 616 65 65 TYR C C 178.499 0.300 1 617 65 65 TYR CA C 61.921 0.300 1 618 65 65 TYR CB C 38.586 0.300 1 619 65 65 TYR CD1 C 132.881 0.300 1 620 65 65 TYR CD2 C 132.881 0.300 1 621 65 65 TYR CE1 C 118.250 0.300 1 622 65 65 TYR CE2 C 118.250 0.300 1 623 65 65 TYR N N 121.062 0.300 1 624 66 66 PHE H H 7.847 0.030 1 625 66 66 PHE HA H 4.293 0.030 1 626 66 66 PHE HB2 H 3.292 0.030 2 627 66 66 PHE HB3 H 3.109 0.030 2 628 66 66 PHE HD1 H 7.381 0.030 1 629 66 66 PHE HD2 H 7.381 0.030 1 630 66 66 PHE HE1 H 7.334 0.030 1 631 66 66 PHE HE2 H 7.334 0.030 1 632 66 66 PHE HZ H 7.160 0.030 1 633 66 66 PHE C C 178.143 0.300 1 634 66 66 PHE CA C 61.677 0.300 1 635 66 66 PHE CB C 38.747 0.300 1 636 66 66 PHE CD1 C 131.525 0.300 1 637 66 66 PHE CD2 C 131.525 0.300 1 638 66 66 PHE CE1 C 131.525 0.300 1 639 66 66 PHE CE2 C 131.525 0.300 1 640 66 66 PHE CZ C 129.620 0.300 1 641 66 66 PHE N N 116.884 0.300 1 642 67 67 LEU H H 7.989 0.030 1 643 67 67 LEU HA H 4.163 0.030 1 644 67 67 LEU HB2 H 1.887 0.030 2 645 67 67 LEU HB3 H 1.735 0.030 2 646 67 67 LEU HD1 H 0.922 0.030 1 647 67 67 LEU HD2 H 0.949 0.030 1 648 67 67 LEU C C 179.730 0.300 1 649 67 67 LEU CA C 58.450 0.300 1 650 67 67 LEU CB C 41.636 0.300 1 651 67 67 LEU CD1 C 23.914 0.300 2 652 67 67 LEU CD2 C 24.923 0.300 2 653 67 67 LEU N N 121.809 0.300 1 654 68 68 GLU H H 8.240 0.030 1 655 68 68 GLU HA H 4.000 0.030 1 656 68 68 GLU HB2 H 2.034 0.030 2 657 68 68 GLU HB3 H 1.885 0.030 2 658 68 68 GLU HG2 H 2.447 0.030 2 659 68 68 GLU HG3 H 2.158 0.030 2 660 68 68 GLU C C 179.254 0.300 1 661 68 68 GLU CA C 59.402 0.300 1 662 68 68 GLU CB C 29.103 0.300 1 663 68 68 GLU CG C 36.993 0.300 1 664 68 68 GLU N N 119.924 0.300 1 665 69 69 MET H H 8.201 0.030 1 666 69 69 MET HA H 3.867 0.030 1 667 69 69 MET HB2 H 2.018 0.030 2 668 69 69 MET HB3 H 1.844 0.030 2 669 69 69 MET HG2 H 2.505 0.030 2 670 69 69 MET HG3 H 2.206 0.030 2 671 69 69 MET HE H 1.958 0.030 1 672 69 69 MET C C 177.791 0.300 1 673 69 69 MET CA C 59.700 0.300 1 674 69 69 MET CB C 32.413 0.300 1 675 69 69 MET CG C 32.910 0.300 1 676 69 69 MET CE C 17.899 0.300 1 677 69 69 MET N N 120.875 0.300 1 678 70 70 GLN H H 8.343 0.030 1 679 70 70 GLN HA H 3.786 0.030 1 680 70 70 GLN HB2 H 2.210 0.030 1 681 70 70 GLN HB3 H 2.210 0.030 1 682 70 70 GLN HG2 H 2.399 0.030 2 683 70 70 GLN HG3 H 2.219 0.030 2 684 70 70 GLN HE21 H 7.473 0.030 2 685 70 70 GLN HE22 H 6.702 0.030 2 686 70 70 GLN C C 177.608 0.300 1 687 70 70 GLN CA C 60.004 0.300 1 688 70 70 GLN CB C 27.922 0.300 1 689 70 70 GLN CG C 33.694 0.300 1 690 70 70 GLN N N 118.748 0.300 1 691 70 70 GLN NE2 N 110.499 0.300 1 692 71 71 GLU H H 7.989 0.030 1 693 71 71 GLU HA H 4.061 0.030 1 694 71 71 GLU HB2 H 2.178 0.030 2 695 71 71 GLU HB3 H 2.075 0.030 2 696 71 71 GLU HG2 H 2.491 0.030 2 697 71 71 GLU HG3 H 2.217 0.030 2 698 71 71 GLU C C 179.681 0.300 1 699 71 71 GLU CA C 59.669 0.300 1 700 71 71 GLU CB C 29.570 0.300 1 701 71 71 GLU CG C 36.486 0.300 1 702 71 71 GLU N N 118.973 0.300 1 703 72 72 LYS H H 8.095 0.030 1 704 72 72 LYS HA H 3.987 0.030 1 705 72 72 LYS HB2 H 1.966 0.030 2 706 72 72 LYS HB3 H 1.808 0.030 2 707 72 72 LYS HG2 H 1.673 0.030 2 708 72 72 LYS HG3 H 1.434 0.030 2 709 72 72 LYS HD2 H 1.701 0.030 2 710 72 72 LYS HD3 H 1.612 0.030 2 711 72 72 LYS HE2 H 2.867 0.030 2 712 72 72 LYS C C 179.791 0.300 1 713 72 72 LYS CA C 59.912 0.300 1 714 72 72 LYS CB C 32.886 0.300 1 715 72 72 LYS CG C 26.083 0.300 1 716 72 72 LYS CD C 29.847 0.300 1 717 72 72 LYS CE C 42.314 0.300 1 718 72 72 LYS N N 119.617 0.300 1 719 73 73 LEU H H 8.321 0.030 1 720 73 73 LEU HA H 3.964 0.030 1 721 73 73 LEU HB2 H 2.099 0.030 2 722 73 73 LEU HB3 H 1.381 0.030 2 723 73 73 LEU HG H 1.873 0.030 1 724 73 73 LEU HD1 H 0.941 0.030 1 725 73 73 LEU C C 178.278 0.300 1 726 73 73 LEU CA C 58.203 0.300 1 727 73 73 LEU CB C 41.440 0.300 1 728 73 73 LEU CG C 27.294 0.300 1 729 73 73 LEU CD1 C 25.043 0.300 2 730 73 73 LEU N N 119.749 0.300 1 731 74 74 GLU H H 8.435 0.030 1 732 74 74 GLU HA H 3.965 0.030 1 733 74 74 GLU HB2 H 2.196 0.030 2 734 74 74 GLU HB3 H 2.044 0.030 2 735 74 74 GLU HG2 H 2.532 0.030 2 736 74 74 GLU HG3 H 2.206 0.030 2 737 74 74 GLU C C 179.937 0.300 1 738 74 74 GLU CA C 59.983 0.300 1 739 74 74 GLU CB C 29.101 0.300 1 740 74 74 GLU CG C 37.071 0.300 1 741 74 74 GLU N N 118.377 0.300 1 742 75 75 ARG H H 7.844 0.030 1 743 75 75 ARG HA H 4.189 0.030 1 744 75 75 ARG HB2 H 2.067 0.030 2 745 75 75 ARG HB3 H 1.990 0.030 2 746 75 75 ARG HG2 H 1.824 0.030 2 747 75 75 ARG HG3 H 1.742 0.030 2 748 75 75 ARG HD2 H 3.265 0.030 2 749 75 75 ARG C C 178.498 0.300 1 750 75 75 ARG CA C 58.925 0.300 1 751 75 75 ARG CB C 29.828 0.300 1 752 75 75 ARG CG C 27.203 0.300 1 753 75 75 ARG CD C 43.220 0.300 1 754 75 75 ARG N N 120.725 0.300 1 755 76 76 LEU H H 8.011 0.030 1 756 76 76 LEU HA H 4.222 0.030 1 757 76 76 LEU HB2 H 2.026 0.030 2 758 76 76 LEU HB3 H 1.313 0.030 2 759 76 76 LEU HG H 1.928 0.030 1 760 76 76 LEU HD1 H 0.795 0.030 1 761 76 76 LEU HD2 H 0.982 0.030 1 762 76 76 LEU C C 178.973 0.300 1 763 76 76 LEU CA C 58.097 0.300 1 764 76 76 LEU CB C 41.300 0.300 1 765 76 76 LEU CG C 27.064 0.300 1 766 76 76 LEU CD1 C 26.551 0.300 2 767 76 76 LEU CD2 C 23.035 0.300 2 768 76 76 LEU N N 120.670 0.300 1 769 77 77 LEU H H 8.073 0.030 1 770 77 77 LEU HA H 3.905 0.030 1 771 77 77 LEU HB2 H 1.965 0.030 2 772 77 77 LEU HB3 H 1.807 0.030 2 773 77 77 LEU HG H 1.740 0.030 1 774 77 77 LEU HD1 H 0.948 0.030 1 775 77 77 LEU C C 178.632 0.300 1 776 77 77 LEU CA C 58.150 0.300 1 777 77 77 LEU CB C 42.172 0.300 1 778 77 77 LEU CG C 26.919 0.300 1 779 77 77 LEU CD1 C 25.199 0.300 2 780 77 77 LEU N N 118.675 0.300 1 781 78 78 GLN H H 7.701 0.030 1 782 78 78 GLN HA H 4.117 0.030 1 783 78 78 GLN HB2 H 2.273 0.030 1 784 78 78 GLN HB3 H 2.273 0.030 1 785 78 78 GLN HG2 H 2.543 0.030 2 786 78 78 GLN HG3 H 2.496 0.030 2 787 78 78 GLN HE21 H 7.238 0.030 2 788 78 78 GLN HE22 H 6.840 0.030 2 789 78 78 GLN C C 179.084 0.300 1 790 78 78 GLN CA C 59.165 0.300 1 791 78 78 GLN CB C 28.081 0.300 1 792 78 78 GLN CG C 33.828 0.300 1 793 78 78 GLN N N 118.871 0.300 1 794 78 78 GLN NE2 N 111.436 0.300 1 795 79 79 ASP H H 8.432 0.030 1 796 79 79 ASP HA H 4.346 0.030 1 797 79 79 ASP HB2 H 3.009 0.030 2 798 79 79 ASP HB3 H 2.566 0.030 2 799 79 79 ASP C C 179.389 0.300 1 800 79 79 ASP CA C 57.433 0.300 1 801 79 79 ASP CB C 40.362 0.300 1 802 79 79 ASP N N 120.538 0.300 1 803 80 80 ALA H H 8.279 0.030 1 804 80 80 ALA HA H 3.830 0.030 1 805 80 80 ALA HB H 1.433 0.030 1 806 80 80 ALA C C 178.303 0.300 1 807 80 80 ALA CA C 55.154 0.300 1 808 80 80 ALA CB C 18.193 0.300 1 809 80 80 ALA N N 122.507 0.300 1 810 81 81 HIS H H 7.836 0.030 1 811 81 81 HIS HA H 4.422 0.030 1 812 81 81 HIS HB2 H 3.282 0.030 2 813 81 81 HIS HB3 H 3.203 0.030 2 814 81 81 HIS HD2 H 6.995 0.030 1 815 81 81 HIS HE1 H 7.775 0.030 1 816 81 81 HIS C C 176.901 0.300 1 817 81 81 HIS CA C 58.996 0.300 1 818 81 81 HIS CB C 29.944 0.300 1 819 81 81 HIS CD2 C 122.135 0.300 1 820 81 81 HIS CE1 C 137.631 0.300 1 821 81 81 HIS N N 112.805 0.300 1 822 82 82 GLU H H 7.695 0.030 1 823 82 82 GLU HA H 4.255 0.030 1 824 82 82 GLU HB2 H 2.236 0.030 2 825 82 82 GLU HB3 H 2.119 0.030 2 826 82 82 GLU HG2 H 2.607 0.030 2 827 82 82 GLU HG3 H 2.367 0.030 2 828 82 82 GLU C C 177.791 0.300 1 829 82 82 GLU CA C 57.664 0.300 1 830 82 82 GLU CB C 30.090 0.300 1 831 82 82 GLU CG C 36.679 0.300 1 832 82 82 GLU N N 116.539 0.300 1 833 83 83 ARG H H 7.751 0.030 1 834 83 83 ARG HA H 4.511 0.030 1 835 83 83 ARG HB2 H 2.199 0.030 2 836 83 83 ARG HB3 H 1.956 0.030 2 837 83 83 ARG HG2 H 1.895 0.030 2 838 83 83 ARG HG3 H 1.709 0.030 2 839 83 83 ARG HD2 H 3.203 0.030 2 840 83 83 ARG HD3 H 3.149 0.030 2 841 83 83 ARG C C 176.132 0.300 1 842 83 83 ARG CA C 54.515 0.300 1 843 83 83 ARG CB C 28.848 0.300 1 844 83 83 ARG CG C 25.961 0.300 1 845 83 83 ARG CD C 41.660 0.300 1 846 83 83 ARG N N 117.230 0.300 1 847 84 84 SER H H 7.953 0.030 1 848 84 84 SER HA H 4.499 0.030 1 849 84 84 SER HB2 H 3.916 0.030 2 850 84 84 SER HB3 H 3.871 0.030 2 851 84 84 SER C C 173.776 0.300 1 852 84 84 SER CA C 59.207 0.300 1 853 84 84 SER CB C 64.441 0.300 1 854 84 84 SER N N 112.587 0.300 1 855 85 85 ASP H H 8.222 0.030 1 856 85 85 ASP HA H 4.751 0.030 1 857 85 85 ASP HB2 H 2.837 0.030 2 858 85 85 ASP HB3 H 2.752 0.030 2 859 85 85 ASP C C 176.082 0.300 1 860 85 85 ASP CA C 54.026 0.300 1 861 85 85 ASP CB C 41.149 0.300 1 862 85 85 ASP N N 121.772 0.300 1 863 86 86 SER H H 8.333 0.030 1 864 86 86 SER HA H 4.421 0.030 1 865 86 86 SER HB2 H 4.171 0.030 2 866 86 86 SER HB3 H 4.011 0.030 2 867 86 86 SER CA C 59.354 0.300 1 868 86 86 SER CB C 64.234 0.300 1 869 86 86 SER N N 118.035 0.300 1 870 87 87 GLU HA H 4.257 0.030 1 871 87 87 GLU HB2 H 2.140 0.030 2 872 87 87 GLU HG2 H 2.377 0.030 2 873 87 87 GLU C C 179.021 0.300 1 874 87 87 GLU CA C 59.172 0.300 1 875 87 87 GLU CB C 29.132 0.300 1 876 87 87 GLU CG C 36.464 0.300 1 877 88 88 GLU H H 8.331 0.030 1 878 88 88 GLU HA H 4.183 0.030 1 879 88 88 GLU HB2 H 2.129 0.030 2 880 88 88 GLU HB3 H 2.018 0.030 2 881 88 88 GLU HG2 H 2.550 0.030 2 882 88 88 GLU HG3 H 2.175 0.030 2 883 88 88 GLU C C 178.413 0.300 1 884 88 88 GLU CA C 59.606 0.300 1 885 88 88 GLU CB C 30.265 0.300 1 886 88 88 GLU CG C 38.010 0.300 1 887 88 88 GLU N N 119.864 0.300 1 888 89 89 VAL H H 7.994 0.030 1 889 89 89 VAL HA H 3.486 0.030 1 890 89 89 VAL HB H 2.129 0.030 1 891 89 89 VAL HG1 H 0.740 0.030 1 892 89 89 VAL HG2 H 1.035 0.030 1 893 89 89 VAL C C 177.775 0.300 1 894 89 89 VAL CA C 67.303 0.300 1 895 89 89 VAL CB C 31.915 0.300 1 896 89 89 VAL CG1 C 21.140 0.300 2 897 89 89 VAL CG2 C 24.271 0.300 2 898 90 90 SER H H 7.838 0.030 1 899 90 90 SER HA H 4.114 0.030 1 900 90 90 SER HB2 H 4.061 0.030 2 901 90 90 SER HB3 H 4.035 0.030 2 902 90 90 SER C C 176.477 0.300 1 903 90 90 SER CA C 61.815 0.300 1 904 90 90 SER CB C 62.658 0.300 1 905 90 90 SER N N 113.956 0.300 1 906 91 91 PHE H H 7.657 0.030 1 907 91 91 PHE HA H 4.313 0.030 1 908 91 91 PHE HB2 H 3.322 0.030 2 909 91 91 PHE HB3 H 3.243 0.030 2 910 91 91 PHE HD1 H 7.120 0.030 1 911 91 91 PHE HD2 H 7.120 0.030 1 912 91 91 PHE HE1 H 6.811 0.030 1 913 91 91 PHE HE2 H 6.811 0.030 1 914 91 91 PHE HZ H 6.982 0.030 1 915 91 91 PHE C C 176.608 0.300 1 916 91 91 PHE CA C 61.056 0.300 1 917 91 91 PHE CB C 38.730 0.300 1 918 91 91 PHE CD1 C 132.120 0.300 1 919 91 91 PHE CD2 C 132.120 0.300 1 920 91 91 PHE CE1 C 130.841 0.300 1 921 91 91 PHE CE2 C 130.841 0.300 1 922 91 91 PHE CZ C 129.466 0.300 1 923 91 91 PHE N N 122.154 0.300 1 924 92 92 ILE H H 7.400 0.030 1 925 92 92 ILE HA H 3.413 0.030 1 926 92 92 ILE HB H 2.355 0.030 1 927 92 92 ILE HG12 H 1.941 0.030 2 928 92 92 ILE HG13 H 1.475 0.030 2 929 92 92 ILE HG2 H 0.775 0.030 1 930 92 92 ILE HD1 H 0.808 0.030 1 931 92 92 ILE C C 177.462 0.300 1 932 92 92 ILE CA C 61.938 0.300 1 933 92 92 ILE CB C 35.018 0.300 1 934 92 92 ILE CG1 C 28.144 0.300 1 935 92 92 ILE CG2 C 18.174 0.300 1 936 92 92 ILE CD1 C 9.040 0.300 1 937 92 92 ILE N N 119.123 0.300 1 938 93 93 VAL H H 8.500 0.030 1 939 93 93 VAL HA H 3.371 0.030 1 940 93 93 VAL HB H 2.196 0.030 1 941 93 93 VAL HG1 H 0.938 0.030 1 942 93 93 VAL HG2 H 1.020 0.030 1 943 93 93 VAL C C 178.157 0.300 1 944 93 93 VAL CA C 67.040 0.300 1 945 93 93 VAL CB C 31.656 0.300 1 946 93 93 VAL CG1 C 21.014 0.300 2 947 93 93 VAL CG2 C 22.796 0.300 2 948 93 93 VAL N N 119.421 0.300 1 949 94 94 GLN H H 7.824 0.030 1 950 94 94 GLN HA H 3.978 0.030 1 951 94 94 GLN HB2 H 2.162 0.030 2 952 94 94 GLN HB3 H 2.028 0.030 2 953 94 94 GLN HG2 H 2.533 0.030 2 954 94 94 GLN HG3 H 2.324 0.030 2 955 94 94 GLN HE21 H 7.150 0.030 2 956 94 94 GLN HE22 H 6.796 0.030 2 957 94 94 GLN C C 178.216 0.300 1 958 94 94 GLN CA C 58.767 0.300 1 959 94 94 GLN CB C 28.199 0.300 1 960 94 94 GLN CG C 34.007 0.300 1 961 94 94 GLN N N 116.884 0.300 1 962 94 94 GLN NE2 N 111.292 0.300 1 963 95 95 LEU H H 7.766 0.030 1 964 95 95 LEU HA H 3.642 0.030 1 965 95 95 LEU HB2 H 1.561 0.030 2 966 95 95 LEU HB3 H 1.422 0.030 2 967 95 95 LEU HG H 1.141 0.030 1 968 95 95 LEU HD1 H 0.111 0.030 1 969 95 95 LEU HD2 H 0.144 0.030 1 970 95 95 LEU C C 178.778 0.300 1 971 95 95 LEU CA C 58.402 0.300 1 972 95 95 LEU CB C 42.573 0.300 1 973 95 95 LEU CG C 26.204 0.300 1 974 95 95 LEU CD1 C 24.188 0.300 2 975 95 95 LEU CD2 C 25.802 0.300 2 976 95 95 LEU N N 120.615 0.300 1 977 96 96 VAL H H 8.219 0.030 1 978 96 96 VAL HA H 3.383 0.030 1 979 96 96 VAL HB H 2.161 0.030 1 980 96 96 VAL HG1 H 1.012 0.030 1 981 96 96 VAL HG2 H 0.940 0.030 1 982 96 96 VAL C C 177.685 0.300 1 983 96 96 VAL CA C 67.794 0.300 1 984 96 96 VAL CB C 31.533 0.300 1 985 96 96 VAL CG1 C 23.686 0.300 2 986 96 96 VAL CG2 C 22.394 0.300 2 987 96 96 VAL N N 117.516 0.300 1 988 97 97 ARG H H 8.355 0.030 1 989 97 97 ARG HA H 3.906 0.030 1 990 97 97 ARG HB2 H 1.969 0.030 2 991 97 97 ARG HB3 H 1.854 0.030 2 992 97 97 ARG HG2 H 1.862 0.030 2 993 97 97 ARG HG3 H 1.617 0.030 2 994 97 97 ARG HD2 H 3.137 0.030 1 995 97 97 ARG HD3 H 3.137 0.030 1 996 97 97 ARG C C 179.312 0.300 1 997 97 97 ARG CA C 59.964 0.300 1 998 97 97 ARG CB C 29.738 0.300 1 999 97 97 ARG CG C 27.879 0.300 1 1000 97 97 ARG CD C 43.457 0.300 1 1001 97 97 ARG N N 117.537 0.300 1 1002 98 98 LYS H H 8.224 0.030 1 1003 98 98 LYS HA H 4.006 0.030 1 1004 98 98 LYS HB2 H 2.147 0.030 2 1005 98 98 LYS HB3 H 2.046 0.030 2 1006 98 98 LYS HG2 H 1.757 0.030 2 1007 98 98 LYS HG3 H 1.598 0.030 2 1008 98 98 LYS HD2 H 1.853 0.030 2 1009 98 98 LYS HD3 H 1.582 0.030 2 1010 98 98 LYS HE2 H 3.079 0.030 2 1011 98 98 LYS HE3 H 3.011 0.030 2 1012 98 98 LYS C C 179.147 0.300 1 1013 98 98 LYS CA C 59.771 0.300 1 1014 98 98 LYS CB C 32.937 0.300 1 1015 98 98 LYS CG C 26.323 0.300 1 1016 98 98 LYS CD C 29.626 0.300 1 1017 98 98 LYS CE C 42.326 0.300 1 1018 98 98 LYS N N 117.437 0.300 1 1019 99 99 LEU H H 8.066 0.030 1 1020 99 99 LEU HA H 3.794 0.030 1 1021 99 99 LEU HB2 H 1.657 0.030 2 1022 99 99 LEU HB3 H 1.211 0.030 2 1023 99 99 LEU HG H 1.288 0.030 1 1024 99 99 LEU HD1 H 0.296 0.030 1 1025 99 99 LEU HD2 H 0.598 0.030 1 1026 99 99 LEU C C 178.291 0.300 1 1027 99 99 LEU CA C 57.348 0.300 1 1028 99 99 LEU CB C 40.923 0.300 1 1029 99 99 LEU CG C 26.530 0.300 1 1030 99 99 LEU CD1 C 23.234 0.300 2 1031 99 99 LEU CD2 C 26.585 0.300 2 1032 99 99 LEU N N 121.126 0.300 1 1033 100 100 LEU H H 8.566 0.030 1 1034 100 100 LEU HA H 3.911 0.030 1 1035 100 100 LEU HB2 H 1.962 0.030 2 1036 100 100 LEU HB3 H 1.409 0.030 2 1037 100 100 LEU HG H 1.775 0.030 1 1038 100 100 LEU HD1 H 0.828 0.030 1 1039 100 100 LEU HD2 H 0.888 0.030 1 1040 100 100 LEU C C 180.108 0.300 1 1041 100 100 LEU CA C 57.850 0.300 1 1042 100 100 LEU CB C 41.382 0.300 1 1043 100 100 LEU CG C 27.076 0.300 1 1044 100 100 LEU CD1 C 26.136 0.300 2 1045 100 100 LEU CD2 C 24.000 0.300 2 1046 100 100 LEU N N 118.002 0.300 1 1047 101 101 ILE H H 7.695 0.030 1 1048 101 101 ILE HA H 3.704 0.030 1 1049 101 101 ILE HB H 2.002 0.030 1 1050 101 101 ILE HG12 H 1.755 0.030 2 1051 101 101 ILE HG13 H 1.167 0.030 2 1052 101 101 ILE HG2 H 0.913 0.030 1 1053 101 101 ILE HD1 H 0.864 0.030 1 1054 101 101 ILE C C 179.147 0.300 1 1055 101 101 ILE CA C 64.884 0.300 1 1056 101 101 ILE CB C 38.027 0.300 1 1057 101 101 ILE CG1 C 29.615 0.300 1 1058 101 101 ILE CG2 C 17.350 0.300 1 1059 101 101 ILE CD1 C 13.302 0.300 1 1060 101 101 ILE N N 119.272 0.300 1 1061 102 102 ILE H H 7.598 0.030 1 1062 102 102 ILE HA H 3.581 0.030 1 1063 102 102 ILE HB H 2.044 0.030 1 1064 102 102 ILE HG12 H 2.065 0.030 2 1065 102 102 ILE HG13 H 0.900 0.030 2 1066 102 102 ILE HG2 H 0.827 0.030 1 1067 102 102 ILE HD1 H 0.782 0.030 1 1068 102 102 ILE C C 177.852 0.300 1 1069 102 102 ILE CA C 66.052 0.300 1 1070 102 102 ILE CB C 38.185 0.300 1 1071 102 102 ILE CG1 C 29.612 0.300 1 1072 102 102 ILE CG2 C 18.009 0.300 1 1073 102 102 ILE CD1 C 14.115 0.300 1 1074 102 102 ILE N N 121.250 0.300 1 1075 103 103 ILE H H 7.502 0.030 1 1076 103 103 ILE HA H 4.214 0.030 1 1077 103 103 ILE HB H 2.203 0.030 1 1078 103 103 ILE HG12 H 1.506 0.030 2 1079 103 103 ILE HG13 H 1.333 0.030 2 1080 103 103 ILE HG2 H 1.076 0.030 1 1081 103 103 ILE HD1 H 0.948 0.030 1 1082 103 103 ILE C C 175.292 0.300 1 1083 103 103 ILE CA C 62.362 0.300 1 1084 103 103 ILE CB C 38.103 0.300 1 1085 103 103 ILE CG1 C 26.180 0.300 1 1086 103 103 ILE CG2 C 18.051 0.300 1 1087 103 103 ILE CD1 C 14.719 0.300 1 1088 103 103 ILE N N 108.507 0.300 1 1089 104 104 SER H H 7.446 0.030 1 1090 104 104 SER HA H 4.233 0.030 1 1091 104 104 SER HB2 H 3.953 0.030 2 1092 104 104 SER HB3 H 3.893 0.030 2 1093 104 104 SER C C 174.292 0.300 1 1094 104 104 SER CA C 59.331 0.300 1 1095 104 104 SER CB C 63.594 0.300 1 1096 104 104 SER N N 116.202 0.300 1 1097 105 105 ARG H H 8.094 0.030 1 1098 105 105 ARG HA H 4.518 0.030 1 1099 105 105 ARG HB2 H 1.829 0.030 2 1100 105 105 ARG HB3 H 1.700 0.030 2 1101 105 105 ARG HD2 H 3.124 0.030 1 1102 105 105 ARG HD3 H 3.124 0.030 1 1103 105 105 ARG C C 174.019 0.300 1 1104 105 105 ARG CA C 54.520 0.300 1 1105 105 105 ARG CB C 29.634 0.300 1 1106 105 105 ARG CD C 43.272 0.300 1 1107 105 105 ARG N N 122.099 0.300 1 1108 106 106 PRO HA H 4.329 0.030 1 1109 106 106 PRO HB2 H 2.184 0.030 2 1110 106 106 PRO HB3 H 1.806 0.030 2 1111 106 106 PRO HG2 H 1.943 0.030 2 1112 106 106 PRO HG3 H 1.886 0.030 2 1113 106 106 PRO HD2 H 3.655 0.030 2 1114 106 106 PRO HD3 H 3.540 0.030 2 1115 106 106 PRO C C 176.796 0.300 1 1116 106 106 PRO CA C 63.401 0.300 1 1117 106 106 PRO CB C 31.913 0.300 1 1118 106 106 PRO CG C 27.484 0.300 1 1119 106 106 PRO CD C 50.368 0.300 1 1120 107 107 ALA H H 8.233 0.030 1 1121 107 107 ALA HA H 4.283 0.030 1 1122 107 107 ALA HB H 1.384 0.030 1 1123 107 107 ALA C C 177.876 0.300 1 1124 107 107 ALA CA C 52.581 0.300 1 1125 107 107 ALA CB C 19.306 0.300 1 1126 107 107 ALA N N 123.450 0.300 1 1127 108 108 ARG H H 8.281 0.030 1 1128 108 108 ARG C C 176.252 0.300 1 1129 108 108 ARG CA C 56.070 0.300 1 1130 108 108 ARG CB C 31.039 0.300 1 1131 108 108 ARG N N 119.869 0.300 1 stop_ save_