data_10042 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the CS Domain of Human KIAA1068 Protein ; _BMRB_accession_number 10042 _BMRB_flat_file_name bmr10042.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _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 Li H. . . 2 Hayashi F. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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" 689 "13C chemical shifts" 521 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the CS Domain of Human KIAA1068 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 Li H. . . 2 Hayashi F. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 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 'KIAA1068 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIAA1068 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 'CS domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGQKNPDSYNGAVRE NYTWSQDYTDLEVRVPVPKH VVKGKQVSVALSSSSIRVAM LEENGERVLMEGKLTHKINT ESSLWSLEPGKCVLVNLSKV GEYWWNAILEGEEPIDIDSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 LYS 10 ASN 11 PRO 12 ASP 13 SER 14 TYR 15 ASN 16 GLY 17 ALA 18 VAL 19 ARG 20 GLU 21 ASN 22 TYR 23 THR 24 TRP 25 SER 26 GLN 27 ASP 28 TYR 29 THR 30 ASP 31 LEU 32 GLU 33 VAL 34 ARG 35 VAL 36 PRO 37 VAL 38 PRO 39 LYS 40 HIS 41 VAL 42 VAL 43 LYS 44 GLY 45 LYS 46 GLN 47 VAL 48 SER 49 VAL 50 ALA 51 LEU 52 SER 53 SER 54 SER 55 SER 56 ILE 57 ARG 58 VAL 59 ALA 60 MET 61 LEU 62 GLU 63 GLU 64 ASN 65 GLY 66 GLU 67 ARG 68 VAL 69 LEU 70 MET 71 GLU 72 GLY 73 LYS 74 LEU 75 THR 76 HIS 77 LYS 78 ILE 79 ASN 80 THR 81 GLU 82 SER 83 SER 84 LEU 85 TRP 86 SER 87 LEU 88 GLU 89 PRO 90 GLY 91 LYS 92 CYS 93 VAL 94 LEU 95 VAL 96 ASN 97 LEU 98 SER 99 LYS 100 VAL 101 GLY 102 GLU 103 TYR 104 TRP 105 TRP 106 ASN 107 ALA 108 ILE 109 LEU 110 GLU 111 GLY 112 GLU 113 GLU 114 PRO 115 ILE 116 ASP 117 ILE 118 ASP 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 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 1WGV "Solution Structure Of The Cs Domain Of Human Kiaa1068 Protein" 100.00 124 100.00 100.00 3.04e-82 DBJ BAA83020 "KIAA1068 protein [Homo sapiens]" 89.52 354 100.00 100.00 1.50e-72 DBJ BAB14855 "unnamed protein product [Homo sapiens]" 89.52 256 100.00 100.00 1.52e-72 DBJ BAE89512 "unnamed protein product [Macaca fascicularis]" 89.52 220 100.00 100.00 2.10e-73 EMBL CAH90985 "hypothetical protein [Pongo abelii]" 89.52 361 100.00 100.00 1.46e-72 GB AAH03691 "NudC domain containing 3 [Homo sapiens]" 89.52 220 100.00 100.00 2.12e-73 GB AAH11673 "NUDCD3 protein, partial [Homo sapiens]" 89.52 296 100.00 100.00 2.68e-73 GB AAH35014 "NudC domain containing 3 [Homo sapiens]" 89.52 361 98.20 99.10 1.60e-70 GB AAI07926 "Nudcd3 protein [Rattus norvegicus]" 70.97 299 97.73 98.86 1.99e-53 GB AAQ96892 "unknown [Homo sapiens]" 89.52 220 100.00 100.00 2.12e-73 REF NP_001096832 "nudC domain-containing protein 3 [Rattus norvegicus]" 70.97 299 97.73 98.86 1.99e-53 REF NP_001127359 "nudC domain-containing protein 3 [Pongo abelii]" 89.52 361 100.00 100.00 1.46e-72 REF NP_001253522 "nudC domain-containing protein 3 [Macaca mulatta]" 89.52 364 100.00 100.00 1.19e-72 REF NP_056147 "nudC domain-containing protein 3 [Homo sapiens]" 89.52 361 100.00 100.00 1.42e-72 REF XP_003268909 "PREDICTED: nudC domain-containing protein 3 isoform X2 [Nomascus leucogenys]" 89.52 364 99.10 100.00 4.73e-72 SP Q5RB75 "RecName: Full=NudC domain-containing protein 3" 89.52 361 100.00 100.00 1.46e-72 SP Q8IVD9 "RecName: Full=NudC domain-containing protein 3" 89.52 361 100.00 100.00 1.42e-72 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 P040114-35 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 1.06 mM '[U-13C, U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 2 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.897 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guentert, 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_ 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 'KIAA1068 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 3.949 0.030 1 2 7 7 GLY HA3 H 3.949 0.030 1 3 7 7 GLY C C 174.023 0.300 1 4 7 7 GLY CA C 45.493 0.300 1 5 8 8 GLN HA H 4.314 0.030 1 6 8 8 GLN HB2 H 1.941 0.030 2 7 8 8 GLN HB3 H 2.060 0.030 2 8 8 8 GLN HG2 H 2.297 0.030 1 9 8 8 GLN HG3 H 2.297 0.030 1 10 8 8 GLN HE21 H 7.515 0.030 2 11 8 8 GLN HE22 H 6.846 0.030 2 12 8 8 GLN C C 175.825 0.300 1 13 8 8 GLN CA C 55.755 0.300 1 14 8 8 GLN CB C 29.607 0.300 1 15 8 8 GLN CG C 33.865 0.300 1 16 8 8 GLN NE2 N 112.484 0.300 1 17 9 9 LYS HA H 4.271 0.030 1 18 9 9 LYS HB2 H 1.770 0.030 2 19 9 9 LYS HB3 H 1.710 0.030 2 20 9 9 LYS HG2 H 1.589 0.030 1 21 9 9 LYS HG3 H 1.589 0.030 1 22 9 9 LYS HD2 H 1.457 0.030 1 23 9 9 LYS HD3 H 1.457 0.030 1 24 9 9 LYS C C 175.975 0.300 1 25 9 9 LYS CA C 56.170 0.300 1 26 9 9 LYS CB C 33.154 0.300 1 27 9 9 LYS CG C 25.670 0.300 1 28 9 9 LYS CD C 29.014 0.300 1 29 9 9 LYS CE C 42.192 0.300 1 30 10 10 ASN H H 8.521 0.030 1 31 10 10 ASN HA H 4.927 0.030 1 32 10 10 ASN HB2 H 2.674 0.030 2 33 10 10 ASN HB3 H 2.781 0.030 2 34 10 10 ASN HD21 H 7.610 0.030 2 35 10 10 ASN HD22 H 6.977 0.030 2 36 10 10 ASN C C 173.705 0.300 1 37 10 10 ASN CA C 51.327 0.300 1 38 10 10 ASN CB C 38.728 0.300 1 39 10 10 ASN N N 121.240 0.300 1 40 10 10 ASN ND2 N 113.190 0.300 1 41 11 11 PRO HA H 4.309 0.030 1 42 11 11 PRO HB2 H 2.260 0.030 2 43 11 11 PRO HB3 H 1.940 0.030 2 44 11 11 PRO HG2 H 1.980 0.030 1 45 11 11 PRO HG3 H 1.980 0.030 1 46 11 11 PRO HD2 H 3.680 0.030 2 47 11 11 PRO HD3 H 3.782 0.030 2 48 11 11 PRO C C 176.873 0.300 1 49 11 11 PRO CA C 63.903 0.300 1 50 11 11 PRO CB C 32.083 0.300 1 51 11 11 PRO CG C 27.349 0.300 1 52 11 11 PRO CD C 50.780 0.300 1 53 12 12 ASP H H 8.307 0.030 1 54 12 12 ASP HA H 4.505 0.030 1 55 12 12 ASP HB2 H 2.661 0.030 2 56 12 12 ASP HB3 H 2.590 0.030 2 57 12 12 ASP C C 176.095 0.300 1 58 12 12 ASP CA C 54.986 0.300 1 59 12 12 ASP CB C 40.899 0.300 1 60 12 12 ASP N N 119.150 0.300 1 61 13 13 SER H H 7.872 0.030 1 62 13 13 SER HA H 4.507 0.030 1 63 13 13 SER HB2 H 3.800 0.030 2 64 13 13 SER HB3 H 3.620 0.030 2 65 13 13 SER C C 174.337 0.300 1 66 13 13 SER CA C 57.918 0.300 1 67 13 13 SER CB C 63.920 0.300 1 68 13 13 SER N N 113.676 0.300 1 69 14 14 TYR H H 7.980 0.030 1 70 14 14 TYR HA H 4.485 0.030 1 71 14 14 TYR HB2 H 3.002 0.030 1 72 14 14 TYR HB3 H 3.002 0.030 1 73 14 14 TYR HD1 H 7.106 0.030 1 74 14 14 TYR HD2 H 7.106 0.030 1 75 14 14 TYR HE1 H 6.790 0.030 1 76 14 14 TYR HE2 H 6.790 0.030 1 77 14 14 TYR C C 175.632 0.300 1 78 14 14 TYR CA C 58.454 0.300 1 79 14 14 TYR CB C 38.728 0.300 1 80 14 14 TYR CD1 C 133.134 0.300 1 81 14 14 TYR CD2 C 133.134 0.300 1 82 14 14 TYR CE1 C 118.218 0.300 1 83 14 14 TYR CE2 C 118.218 0.300 1 84 14 14 TYR N N 122.823 0.300 1 85 15 15 ASN H H 8.421 0.030 1 86 15 15 ASN HA H 4.488 0.030 1 87 15 15 ASN HB2 H 2.870 0.030 2 88 15 15 ASN HB3 H 2.780 0.030 2 89 15 15 ASN HD21 H 6.810 0.030 2 90 15 15 ASN HD22 H 7.372 0.030 2 91 15 15 ASN C C 174.197 0.300 1 92 15 15 ASN CA C 53.474 0.300 1 93 15 15 ASN CB C 38.663 0.300 1 94 15 15 ASN N N 121.046 0.300 1 95 15 15 ASN ND2 N 112.605 0.300 1 96 16 16 GLY H H 7.560 0.030 1 97 16 16 GLY HA2 H 3.380 0.030 2 98 16 16 GLY HA3 H 3.150 0.030 2 99 16 16 GLY C C 173.164 0.300 1 100 16 16 GLY CA C 44.599 0.300 1 101 16 16 GLY N N 107.637 0.300 1 102 17 17 ALA H H 7.446 0.030 1 103 17 17 ALA HA H 4.361 0.030 1 104 17 17 ALA HB H 1.235 0.030 1 105 17 17 ALA C C 176.236 0.300 1 106 17 17 ALA CA C 51.873 0.300 1 107 17 17 ALA CB C 20.651 0.300 1 108 17 17 ALA N N 122.307 0.300 1 109 18 18 VAL H H 8.180 0.030 1 110 18 18 VAL HA H 4.171 0.030 1 111 18 18 VAL HB H 1.997 0.030 1 112 18 18 VAL HG1 H 0.947 0.030 1 113 18 18 VAL HG2 H 0.900 0.030 1 114 18 18 VAL C C 175.964 0.300 1 115 18 18 VAL CA C 62.467 0.300 1 116 18 18 VAL CB C 32.972 0.300 1 117 18 18 VAL CG1 C 20.833 0.300 2 118 18 18 VAL CG2 C 21.043 0.300 2 119 18 18 VAL N N 119.939 0.300 1 120 19 19 ARG H H 8.466 0.030 1 121 19 19 ARG HA H 4.599 0.030 1 122 19 19 ARG HB2 H 1.840 0.030 2 123 19 19 ARG HB3 H 1.490 0.030 2 124 19 19 ARG HG2 H 1.568 0.030 2 125 19 19 ARG HG3 H 1.460 0.030 2 126 19 19 ARG HD2 H 3.157 0.030 2 127 19 19 ARG HD3 H 3.243 0.030 2 128 19 19 ARG C C 175.949 0.300 1 129 19 19 ARG CA C 54.094 0.300 1 130 19 19 ARG CB C 30.758 0.300 1 131 19 19 ARG CG C 27.059 0.300 1 132 19 19 ARG CD C 42.916 0.300 1 133 19 19 ARG N N 125.800 0.300 1 134 20 20 GLU H H 8.596 0.030 1 135 20 20 GLU HA H 4.120 0.030 1 136 20 20 GLU HB2 H 1.980 0.030 1 137 20 20 GLU HB3 H 1.980 0.030 1 138 20 20 GLU HG2 H 2.270 0.030 1 139 20 20 GLU HG3 H 2.270 0.030 1 140 20 20 GLU C C 177.007 0.300 1 141 20 20 GLU CA C 58.259 0.300 1 142 20 20 GLU CB C 29.996 0.300 1 143 20 20 GLU CG C 36.399 0.300 1 144 20 20 GLU N N 120.667 0.300 1 145 21 21 ASN H H 8.694 0.030 1 146 21 21 ASN HA H 4.813 0.030 1 147 21 21 ASN HB2 H 3.019 0.030 2 148 21 21 ASN HB3 H 2.970 0.030 2 149 21 21 ASN HD21 H 7.075 0.030 2 150 21 21 ASN HD22 H 7.860 0.030 2 151 21 21 ASN C C 174.040 0.300 1 152 21 21 ASN CA C 53.210 0.300 1 153 21 21 ASN CB C 38.671 0.300 1 154 21 21 ASN N N 114.371 0.300 1 155 21 21 ASN ND2 N 112.400 0.300 1 156 22 22 TYR H H 7.012 0.030 1 157 22 22 TYR HA H 5.331 0.030 1 158 22 22 TYR HB2 H 3.426 0.030 2 159 22 22 TYR HB3 H 2.940 0.030 2 160 22 22 TYR HD1 H 6.789 0.030 1 161 22 22 TYR HD2 H 6.789 0.030 1 162 22 22 TYR HE1 H 6.750 0.030 1 163 22 22 TYR HE2 H 6.750 0.030 1 164 22 22 TYR C C 173.367 0.300 1 165 22 22 TYR CA C 56.865 0.300 1 166 22 22 TYR CB C 39.704 0.300 1 167 22 22 TYR CD1 C 133.658 0.300 1 168 22 22 TYR CD2 C 133.658 0.300 1 169 22 22 TYR CE1 C 117.346 0.300 1 170 22 22 TYR CE2 C 117.346 0.300 1 171 22 22 TYR N N 112.990 0.300 1 172 23 23 THR H H 9.096 0.030 1 173 23 23 THR HA H 5.078 0.030 1 174 23 23 THR HB H 4.253 0.030 1 175 23 23 THR HG2 H 1.221 0.030 1 176 23 23 THR C C 172.868 0.300 1 177 23 23 THR CA C 60.788 0.300 1 178 23 23 THR CB C 72.067 0.300 1 179 23 23 THR CG2 C 22.336 0.300 1 180 23 23 THR N N 112.533 0.300 1 181 24 24 TRP H H 8.983 0.030 1 182 24 24 TRP HA H 6.090 0.030 1 183 24 24 TRP HB2 H 3.410 0.030 2 184 24 24 TRP HB3 H 3.327 0.030 2 185 24 24 TRP HD1 H 7.051 0.030 1 186 24 24 TRP HE1 H 11.131 0.030 1 187 24 24 TRP HE3 H 7.115 0.030 1 188 24 24 TRP HZ2 H 7.350 0.030 1 189 24 24 TRP HZ3 H 6.631 0.030 1 190 24 24 TRP HH2 H 6.784 0.030 1 191 24 24 TRP C C 173.333 0.300 1 192 24 24 TRP CA C 55.430 0.300 1 193 24 24 TRP CB C 33.019 0.300 1 194 24 24 TRP CD1 C 127.003 0.300 1 195 24 24 TRP CE3 C 120.043 0.300 1 196 24 24 TRP CZ2 C 113.824 0.300 1 197 24 24 TRP CZ3 C 121.969 0.300 1 198 24 24 TRP CH2 C 123.823 0.300 1 199 24 24 TRP N N 119.858 0.300 1 200 24 24 TRP NE1 N 132.636 0.300 1 201 25 25 SER H H 9.150 0.030 1 202 25 25 SER HA H 4.456 0.030 1 203 25 25 SER HB2 H 3.980 0.030 2 204 25 25 SER HB3 H 3.733 0.030 2 205 25 25 SER C C 172.826 0.300 1 206 25 25 SER CA C 56.791 0.300 1 207 25 25 SER CB C 66.551 0.300 1 208 25 25 SER N N 113.769 0.300 1 209 26 26 GLN H H 8.534 0.030 1 210 26 26 GLN HA H 5.312 0.030 1 211 26 26 GLN HB2 H 2.140 0.030 2 212 26 26 GLN HB3 H 1.859 0.030 2 213 26 26 GLN HG2 H 1.870 0.030 1 214 26 26 GLN HG3 H 1.870 0.030 1 215 26 26 GLN C C 173.041 0.300 1 216 26 26 GLN CA C 54.844 0.300 1 217 26 26 GLN CB C 33.657 0.300 1 218 26 26 GLN CG C 32.707 0.300 1 219 26 26 GLN N N 116.671 0.300 1 220 27 27 ASP H H 8.661 0.030 1 221 27 27 ASP HA H 4.855 0.030 1 222 27 27 ASP HB2 H 3.286 0.030 2 223 27 27 ASP HB3 H 2.798 0.030 2 224 27 27 ASP C C 176.577 0.300 1 225 27 27 ASP CA C 53.059 0.300 1 226 27 27 ASP CB C 42.106 0.300 1 227 27 27 ASP N N 122.190 0.300 1 228 28 28 TYR H H 8.442 0.030 1 229 28 28 TYR HA H 4.070 0.030 1 230 28 28 TYR HB2 H 3.130 0.030 1 231 28 28 TYR HB3 H 3.130 0.030 1 232 28 28 TYR HD1 H 7.108 0.030 1 233 28 28 TYR HD2 H 7.108 0.030 1 234 28 28 TYR HE1 H 6.802 0.030 1 235 28 28 TYR HE2 H 6.802 0.030 1 236 28 28 TYR C C 176.304 0.300 1 237 28 28 TYR CA C 62.173 0.300 1 238 28 28 TYR CB C 38.503 0.300 1 239 28 28 TYR CD1 C 132.625 0.300 1 240 28 28 TYR CD2 C 132.625 0.300 1 241 28 28 TYR CE1 C 118.353 0.300 1 242 28 28 TYR CE2 C 118.353 0.300 1 243 28 28 TYR N N 116.582 0.300 1 244 29 29 THR H H 8.197 0.030 1 245 29 29 THR HA H 4.556 0.030 1 246 29 29 THR HB H 4.330 0.030 1 247 29 29 THR HG2 H 1.131 0.030 1 248 29 29 THR C C 174.590 0.300 1 249 29 29 THR CA C 62.217 0.300 1 250 29 29 THR CB C 70.926 0.300 1 251 29 29 THR CG2 C 21.295 0.300 1 252 29 29 THR N N 103.726 0.300 1 253 30 30 ASP H H 8.847 0.030 1 254 30 30 ASP HA H 5.661 0.030 1 255 30 30 ASP HB2 H 2.502 0.030 1 256 30 30 ASP HB3 H 2.502 0.030 1 257 30 30 ASP C C 174.232 0.300 1 258 30 30 ASP CA C 54.392 0.300 1 259 30 30 ASP CB C 45.843 0.300 1 260 30 30 ASP N N 123.795 0.300 1 261 31 31 LEU H H 9.073 0.030 1 262 31 31 LEU HA H 5.027 0.030 1 263 31 31 LEU HB2 H 1.380 0.030 2 264 31 31 LEU HB3 H 1.180 0.030 2 265 31 31 LEU HG H 0.860 0.030 1 266 31 31 LEU HD1 H -0.672 0.030 1 267 31 31 LEU HD2 H -0.027 0.030 1 268 31 31 LEU C C 175.641 0.300 1 269 31 31 LEU CA C 54.629 0.300 1 270 31 31 LEU CB C 44.807 0.300 1 271 31 31 LEU CG C 26.897 0.300 1 272 31 31 LEU CD1 C 25.201 0.300 2 273 31 31 LEU CD2 C 25.922 0.300 2 274 31 31 LEU N N 118.123 0.300 1 275 32 32 GLU H H 8.611 0.030 1 276 32 32 GLU HA H 5.126 0.030 1 277 32 32 GLU HB2 H 1.871 0.030 1 278 32 32 GLU HB3 H 1.871 0.030 1 279 32 32 GLU HG2 H 2.119 0.030 2 280 32 32 GLU HG3 H 1.860 0.030 2 281 32 32 GLU C C 175.011 0.300 1 282 32 32 GLU CA C 55.429 0.300 1 283 32 32 GLU CB C 32.553 0.300 1 284 32 32 GLU CG C 37.703 0.300 1 285 32 32 GLU N N 122.909 0.300 1 286 33 33 VAL H H 9.512 0.030 1 287 33 33 VAL HA H 4.855 0.030 1 288 33 33 VAL HB H 1.920 0.030 1 289 33 33 VAL HG1 H 0.700 0.030 1 290 33 33 VAL HG2 H 0.771 0.030 1 291 33 33 VAL C C 174.206 0.300 1 292 33 33 VAL CA C 61.005 0.300 1 293 33 33 VAL CB C 34.331 0.300 1 294 33 33 VAL CG1 C 21.557 0.300 2 295 33 33 VAL CG2 C 21.974 0.300 2 296 33 33 VAL N N 127.595 0.300 1 297 34 34 ARG H H 9.478 0.030 1 298 34 34 ARG HA H 5.269 0.030 1 299 34 34 ARG HB2 H 1.740 0.030 2 300 34 34 ARG HB3 H 1.660 0.030 2 301 34 34 ARG HG2 H 1.444 0.030 2 302 34 34 ARG HG3 H 1.650 0.030 2 303 34 34 ARG HD2 H 3.099 0.030 2 304 34 34 ARG HD3 H 3.041 0.030 2 305 34 34 ARG HE H 7.300 0.030 1 306 34 34 ARG C C 175.466 0.300 1 307 34 34 ARG CA C 55.072 0.300 1 308 34 34 ARG CB C 31.989 0.300 1 309 34 34 ARG CG C 29.304 0.300 1 310 34 34 ARG CD C 43.350 0.300 1 311 34 34 ARG N N 126.784 0.300 1 312 34 34 ARG NE N 85.716 0.300 1 313 35 35 VAL H H 9.408 0.030 1 314 35 35 VAL HA H 4.766 0.030 1 315 35 35 VAL HB H 2.132 0.030 1 316 35 35 VAL HG1 H 0.959 0.030 1 317 35 35 VAL HG2 H 0.911 0.030 1 318 35 35 VAL C C 173.600 0.300 1 319 35 35 VAL CA C 59.002 0.300 1 320 35 35 VAL CB C 33.768 0.300 1 321 35 35 VAL CG1 C 22.308 0.300 2 322 35 35 VAL CG2 C 21.566 0.300 2 323 35 35 VAL N N 125.900 0.300 1 324 36 36 PRO HA H 4.627 0.030 1 325 36 36 PRO HB2 H 2.390 0.030 2 326 36 36 PRO HB3 H 1.853 0.030 2 327 36 36 PRO HG2 H 1.921 0.030 2 328 36 36 PRO HG3 H 2.119 0.030 2 329 36 36 PRO HD2 H 3.879 0.030 2 330 36 36 PRO HD3 H 4.050 0.030 2 331 36 36 PRO C C 175.894 0.300 1 332 36 36 PRO CA C 63.685 0.300 1 333 36 36 PRO CB C 32.634 0.300 1 334 36 36 PRO CG C 27.811 0.300 1 335 36 36 PRO CD C 51.459 0.300 1 336 37 37 VAL H H 7.330 0.030 1 337 37 37 VAL HA H 4.813 0.030 1 338 37 37 VAL HB H 1.881 0.030 1 339 37 37 VAL HG1 H 0.789 0.030 1 340 37 37 VAL HG2 H 0.510 0.030 1 341 37 37 VAL C C 172.782 0.300 1 342 37 37 VAL CA C 56.950 0.300 1 343 37 37 VAL CB C 32.951 0.300 1 344 37 37 VAL CG1 C 22.522 0.300 2 345 37 37 VAL CG2 C 17.329 0.300 2 346 37 37 VAL N N 112.659 0.300 1 347 38 38 PRO HA H 4.481 0.030 1 348 38 38 PRO HB2 H 1.732 0.030 2 349 38 38 PRO HB3 H 2.491 0.030 2 350 38 38 PRO HG2 H 1.937 0.030 2 351 38 38 PRO HG3 H 1.680 0.030 2 352 38 38 PRO HD2 H 3.348 0.030 2 353 38 38 PRO HD3 H 3.672 0.030 2 354 38 38 PRO C C 177.013 0.300 1 355 38 38 PRO CA C 61.856 0.300 1 356 38 38 PRO CB C 33.269 0.300 1 357 38 38 PRO CG C 27.928 0.300 1 358 38 38 PRO CD C 50.490 0.300 1 359 39 39 LYS H H 8.260 0.030 1 360 39 39 LYS HA H 4.060 0.030 1 361 39 39 LYS HB2 H 1.920 0.030 2 362 39 39 LYS HB3 H 1.870 0.030 2 363 39 39 LYS HG2 H 1.590 0.030 1 364 39 39 LYS HG3 H 1.590 0.030 1 365 39 39 LYS HD2 H 1.770 0.030 1 366 39 39 LYS HD3 H 1.770 0.030 1 367 39 39 LYS HE2 H 3.053 0.030 1 368 39 39 LYS HE3 H 3.053 0.030 1 369 39 39 LYS C C 176.165 0.300 1 370 39 39 LYS CA C 58.715 0.300 1 371 39 39 LYS CB C 32.892 0.300 1 372 39 39 LYS CG C 24.742 0.300 1 373 39 39 LYS CD C 29.304 0.300 1 374 39 39 LYS CE C 42.264 0.300 1 375 39 39 LYS N N 116.685 0.300 1 376 40 40 HIS H H 7.449 0.030 1 377 40 40 HIS HA H 4.656 0.030 1 378 40 40 HIS HB2 H 3.439 0.030 2 379 40 40 HIS HB3 H 2.877 0.030 2 380 40 40 HIS HD2 H 6.900 0.030 1 381 40 40 HIS HE1 H 7.718 0.030 1 382 40 40 HIS C C 175.895 0.300 1 383 40 40 HIS CA C 56.348 0.300 1 384 40 40 HIS CB C 30.224 0.300 1 385 40 40 HIS CD2 C 118.006 0.300 1 386 40 40 HIS CE1 C 139.398 0.300 1 387 40 40 HIS N N 110.703 0.300 1 388 41 41 VAL H H 7.469 0.030 1 389 41 41 VAL HA H 3.840 0.030 1 390 41 41 VAL HB H 2.032 0.030 1 391 41 41 VAL HG1 H 0.682 0.030 1 392 41 41 VAL HG2 H 0.460 0.030 1 393 41 41 VAL C C 173.750 0.300 1 394 41 41 VAL CA C 63.133 0.300 1 395 41 41 VAL CB C 28.996 0.300 1 396 41 41 VAL CG1 C 21.674 0.300 2 397 41 41 VAL CG2 C 22.229 0.300 2 398 41 41 VAL N N 126.351 0.300 1 399 42 42 VAL H H 8.282 0.030 1 400 42 42 VAL HA H 4.371 0.030 1 401 42 42 VAL HB H 2.420 0.030 1 402 42 42 VAL HG1 H 0.805 0.030 1 403 42 42 VAL HG2 H 0.920 0.030 1 404 42 42 VAL C C 174.749 0.300 1 405 42 42 VAL CA C 60.733 0.300 1 406 42 42 VAL CB C 33.684 0.300 1 407 42 42 VAL CG1 C 21.267 0.300 2 408 42 42 VAL CG2 C 18.081 0.300 2 409 42 42 VAL N N 117.769 0.300 1 410 43 43 LYS H H 8.519 0.030 1 411 43 43 LYS HA H 4.813 0.030 1 412 43 43 LYS HB2 H 2.086 0.030 2 413 43 43 LYS HB3 H 1.861 0.030 2 414 43 43 LYS HG2 H 1.500 0.030 1 415 43 43 LYS HG3 H 1.500 0.030 1 416 43 43 LYS HD2 H 1.780 0.030 2 417 43 43 LYS HD3 H 1.700 0.030 2 418 43 43 LYS HE2 H 3.008 0.030 1 419 43 43 LYS HE3 H 3.008 0.030 1 420 43 43 LYS C C 177.007 0.300 1 421 43 43 LYS CA C 54.422 0.300 1 422 43 43 LYS CB C 35.809 0.300 1 423 43 43 LYS CG C 25.200 0.300 1 424 43 43 LYS CD C 29.192 0.300 1 425 43 43 LYS CE C 42.287 0.300 1 426 43 43 LYS N N 122.543 0.300 1 427 44 44 GLY H H 8.965 0.030 1 428 44 44 GLY HA2 H 4.163 0.030 2 429 44 44 GLY HA3 H 3.767 0.030 2 430 44 44 GLY C C 175.124 0.300 1 431 44 44 GLY CA C 47.808 0.300 1 432 45 45 LYS H H 7.863 0.030 1 433 45 45 LYS HA H 4.470 0.030 1 434 45 45 LYS HB2 H 1.939 0.030 1 435 45 45 LYS HB3 H 1.939 0.030 1 436 45 45 LYS HG2 H 1.524 0.030 2 437 45 45 LYS HG3 H 1.400 0.030 2 438 45 45 LYS HD2 H 1.759 0.030 1 439 45 45 LYS HD3 H 1.759 0.030 1 440 45 45 LYS HE2 H 3.016 0.030 2 441 45 45 LYS HE3 H 2.921 0.030 2 442 45 45 LYS C C 177.388 0.300 1 443 45 45 LYS CA C 57.398 0.300 1 444 45 45 LYS CB C 31.888 0.300 1 445 45 45 LYS CG C 24.525 0.300 1 446 45 45 LYS CD C 29.187 0.300 1 447 45 45 LYS CE C 42.047 0.300 1 448 45 45 LYS N N 114.732 0.300 1 449 46 46 GLN H H 8.149 0.030 1 450 46 46 GLN HA H 4.342 0.030 1 451 46 46 GLN HB2 H 2.559 0.030 1 452 46 46 GLN HB3 H 2.559 0.030 1 453 46 46 GLN HG2 H 2.609 0.030 2 454 46 46 GLN HG3 H 2.208 0.030 2 455 46 46 GLN HE21 H 8.317 0.030 2 456 46 46 GLN HE22 H 6.996 0.030 2 457 46 46 GLN C C 174.451 0.300 1 458 46 46 GLN CA C 57.372 0.300 1 459 46 46 GLN CB C 32.567 0.300 1 460 46 46 GLN CG C 37.051 0.300 1 461 46 46 GLN N N 117.079 0.300 1 462 46 46 GLN NE2 N 112.571 0.300 1 463 47 47 VAL H H 7.963 0.030 1 464 47 47 VAL HA H 4.970 0.030 1 465 47 47 VAL HB H 2.020 0.030 1 466 47 47 VAL HG1 H 0.555 0.030 1 467 47 47 VAL HG2 H 0.780 0.030 1 468 47 47 VAL C C 173.489 0.300 1 469 47 47 VAL CA C 59.663 0.300 1 470 47 47 VAL CB C 35.474 0.300 1 471 47 47 VAL CG1 C 22.425 0.300 2 472 47 47 VAL CG2 C 20.815 0.300 2 473 47 47 VAL N N 115.011 0.300 1 474 48 48 SER H H 8.601 0.030 1 475 48 48 SER HA H 4.602 0.030 1 476 48 48 SER HB2 H 3.582 0.030 2 477 48 48 SER HB3 H 3.455 0.030 2 478 48 48 SER C C 173.269 0.300 1 479 48 48 SER CA C 55.889 0.300 1 480 48 48 SER CB C 65.059 0.300 1 481 48 48 SER N N 115.386 0.300 1 482 49 49 VAL H H 8.073 0.030 1 483 49 49 VAL HA H 4.456 0.030 1 484 49 49 VAL HB H 0.480 0.030 1 485 49 49 VAL HG1 H 0.290 0.030 1 486 49 49 VAL HG2 H -0.340 0.030 1 487 49 49 VAL C C 174.092 0.300 1 488 49 49 VAL CA C 61.120 0.300 1 489 49 49 VAL CB C 33.925 0.300 1 490 49 49 VAL CG1 C 20.488 0.300 2 491 49 49 VAL CG2 C 20.993 0.300 2 492 49 49 VAL N N 126.017 0.300 1 493 50 50 ALA H H 8.887 0.030 1 494 50 50 ALA HA H 4.756 0.030 1 495 50 50 ALA HB H 1.273 0.030 1 496 50 50 ALA C C 175.781 0.300 1 497 50 50 ALA CA C 50.683 0.300 1 498 50 50 ALA CB C 20.648 0.300 1 499 50 50 ALA N N 130.915 0.300 1 500 51 51 LEU H H 8.781 0.030 1 501 51 51 LEU HA H 5.028 0.030 1 502 51 51 LEU HB2 H 1.520 0.030 2 503 51 51 LEU HB3 H 1.476 0.030 2 504 51 51 LEU HG H 1.480 0.030 1 505 51 51 LEU HD1 H 0.824 0.030 1 506 51 51 LEU HD2 H 0.768 0.030 1 507 51 51 LEU C C 175.834 0.300 1 508 51 51 LEU CA C 53.848 0.300 1 509 51 51 LEU CB C 45.390 0.300 1 510 51 51 LEU CG C 27.087 0.300 1 511 51 51 LEU CD1 C 24.798 0.300 2 512 51 51 LEU CD2 C 24.670 0.300 2 513 51 51 LEU N N 125.678 0.300 1 514 52 52 SER H H 8.730 0.030 1 515 52 52 SER HA H 4.798 0.030 1 516 52 52 SER HB2 H 4.270 0.030 2 517 52 52 SER HB3 H 3.870 0.030 2 518 52 52 SER C C 172.595 0.300 1 519 52 52 SER CA C 57.074 0.300 1 520 52 52 SER CB C 66.504 0.300 1 521 52 52 SER N N 120.725 0.300 1 522 53 53 SER H H 8.632 0.030 1 523 53 53 SER HA H 4.342 0.030 1 524 53 53 SER HB2 H 4.210 0.030 2 525 53 53 SER HB3 H 4.170 0.030 2 526 53 53 SER C C 173.883 0.300 1 527 53 53 SER CA C 61.113 0.300 1 528 53 53 SER CB C 63.899 0.300 1 529 53 53 SER N N 111.091 0.300 1 530 54 54 SER H H 7.836 0.030 1 531 54 54 SER HA H 4.965 0.030 1 532 54 54 SER HB2 H 4.010 0.030 2 533 54 54 SER HB3 H 3.643 0.030 2 534 54 54 SER C C 174.635 0.300 1 535 54 54 SER CA C 57.309 0.300 1 536 54 54 SER CB C 66.032 0.300 1 537 54 54 SER N N 107.249 0.300 1 538 55 55 SER H H 7.771 0.030 1 539 55 55 SER HA H 5.226 0.030 1 540 55 55 SER HB2 H 3.900 0.030 2 541 55 55 SER HB3 H 3.734 0.030 2 542 55 55 SER C C 169.652 0.300 1 543 55 55 SER CA C 58.582 0.300 1 544 55 55 SER CB C 66.963 0.300 1 545 55 55 SER N N 118.738 0.300 1 546 56 56 ILE H H 8.260 0.030 1 547 56 56 ILE HA H 5.040 0.030 1 548 56 56 ILE HB H 1.479 0.030 1 549 56 56 ILE HG12 H 0.801 0.030 2 550 56 56 ILE HG13 H 1.400 0.030 2 551 56 56 ILE HG2 H 0.586 0.030 1 552 56 56 ILE HD1 H 0.600 0.030 1 553 56 56 ILE C C 172.026 0.300 1 554 56 56 ILE CA C 59.118 0.300 1 555 56 56 ILE CB C 42.595 0.300 1 556 56 56 ILE CG1 C 29.517 0.300 1 557 56 56 ILE CG2 C 16.054 0.300 1 558 56 56 ILE CD1 C 14.244 0.300 1 559 56 56 ILE N N 116.145 0.300 1 560 57 57 ARG H H 8.067 0.030 1 561 57 57 ARG HA H 4.879 0.030 1 562 57 57 ARG HB2 H 1.769 0.030 2 563 57 57 ARG HB3 H 1.660 0.030 2 564 57 57 ARG HG2 H 1.208 0.030 2 565 57 57 ARG HG3 H 1.379 0.030 2 566 57 57 ARG HD2 H 3.050 0.030 2 567 57 57 ARG HD3 H 2.980 0.030 2 568 57 57 ARG HE H 7.126 0.030 1 569 57 57 ARG C C 174.503 0.300 1 570 57 57 ARG CA C 56.250 0.300 1 571 57 57 ARG CB C 33.666 0.300 1 572 57 57 ARG CG C 28.725 0.300 1 573 57 57 ARG CD C 43.784 0.300 1 574 57 57 ARG N N 126.010 0.300 1 575 57 57 ARG NE N 84.688 0.300 1 576 58 58 VAL H H 9.555 0.030 1 577 58 58 VAL HA H 4.770 0.030 1 578 58 58 VAL HB H 1.930 0.030 1 579 58 58 VAL HG1 H 0.710 0.030 1 580 58 58 VAL HG2 H 0.780 0.030 1 581 58 58 VAL C C 173.804 0.300 1 582 58 58 VAL CA C 61.343 0.300 1 583 58 58 VAL CB C 33.955 0.300 1 584 58 58 VAL CG1 C 20.826 0.300 2 585 58 58 VAL CG2 C 20.360 0.300 2 586 58 58 VAL N N 128.576 0.300 1 587 59 59 ALA H H 9.342 0.030 1 588 59 59 ALA HA H 5.123 0.030 1 589 59 59 ALA HB H 1.139 0.030 1 590 59 59 ALA C C 174.242 0.300 1 591 59 59 ALA CA C 50.433 0.300 1 592 59 59 ALA CB C 23.587 0.300 1 593 59 59 ALA N N 130.531 0.300 1 594 60 60 MET H H 8.923 0.030 1 595 60 60 MET HA H 5.322 0.030 1 596 60 60 MET HB2 H 2.050 0.030 2 597 60 60 MET HB3 H 1.924 0.030 2 598 60 60 MET HG2 H 2.521 0.030 2 599 60 60 MET HG3 H 2.400 0.030 2 600 60 60 MET HE H 2.030 0.030 1 601 60 60 MET C C 174.232 0.300 1 602 60 60 MET CA C 53.666 0.300 1 603 60 60 MET CB C 36.497 0.300 1 604 60 60 MET CG C 31.621 0.300 1 605 60 60 MET CE C 17.986 0.300 1 606 60 60 MET N N 115.970 0.300 1 607 61 61 LEU H H 8.637 0.030 1 608 61 61 LEU HA H 4.505 0.030 1 609 61 61 LEU HB2 H 1.590 0.030 1 610 61 61 LEU HB3 H 1.590 0.030 1 611 61 61 LEU HG H 1.486 0.030 1 612 61 61 LEU HD1 H 0.828 0.030 1 613 61 61 LEU HD2 H 0.814 0.030 1 614 61 61 LEU C C 176.491 0.300 1 615 61 61 LEU CA C 55.325 0.300 1 616 61 61 LEU CB C 41.991 0.300 1 617 61 61 LEU CG C 28.145 0.300 1 618 61 61 LEU CD1 C 24.870 0.300 2 619 61 61 LEU CD2 C 24.091 0.300 2 620 61 61 LEU N N 125.106 0.300 1 621 62 62 GLU H H 8.094 0.030 1 622 62 62 GLU HA H 4.741 0.030 1 623 62 62 GLU HB2 H 2.220 0.030 2 624 62 62 GLU HB3 H 1.989 0.030 2 625 62 62 GLU HG2 H 2.200 0.030 2 626 62 62 GLU HG3 H 2.159 0.030 2 627 62 62 GLU C C 176.491 0.300 1 628 62 62 GLU CA C 54.702 0.300 1 629 62 62 GLU CB C 32.577 0.300 1 630 62 62 GLU CG C 36.689 0.300 1 631 62 62 GLU N N 122.482 0.300 1 632 63 63 GLU H H 8.998 0.030 1 633 63 63 GLU HA H 3.977 0.030 1 634 63 63 GLU HB2 H 2.015 0.030 2 635 63 63 GLU HB3 H 1.987 0.030 2 636 63 63 GLU HG2 H 2.290 0.030 1 637 63 63 GLU HG3 H 2.290 0.030 1 638 63 63 GLU C C 177.321 0.300 1 639 63 63 GLU CA C 59.666 0.300 1 640 63 63 GLU CB C 29.190 0.300 1 641 63 63 GLU CG C 36.327 0.300 1 642 63 63 GLU N N 121.993 0.300 1 643 64 64 ASN H H 8.277 0.030 1 644 64 64 ASN HA H 4.841 0.030 1 645 64 64 ASN HB2 H 2.880 0.030 2 646 64 64 ASN HB3 H 2.808 0.030 2 647 64 64 ASN HD21 H 6.897 0.030 2 648 64 64 ASN HD22 H 7.610 0.030 2 649 64 64 ASN C C 174.617 0.300 1 650 64 64 ASN CA C 52.929 0.300 1 651 64 64 ASN CB C 38.832 0.300 1 652 64 64 ASN N N 113.788 0.300 1 653 64 64 ASN ND2 N 113.000 0.300 1 654 65 65 GLY H H 7.503 0.030 1 655 65 65 GLY HA2 H 4.309 0.030 2 656 65 65 GLY HA3 H 3.890 0.030 2 657 65 65 GLY C C 172.135 0.300 1 658 65 65 GLY CA C 44.996 0.300 1 659 65 65 GLY N N 107.672 0.300 1 660 66 66 GLU H H 8.436 0.030 1 661 66 66 GLU HA H 4.927 0.030 1 662 66 66 GLU HB2 H 1.782 0.030 1 663 66 66 GLU HB3 H 1.782 0.030 1 664 66 66 GLU HG2 H 2.084 0.030 2 665 66 66 GLU HG3 H 1.975 0.030 2 666 66 66 GLU C C 175.527 0.300 1 667 66 66 GLU CA C 55.489 0.300 1 668 66 66 GLU CB C 32.450 0.300 1 669 66 66 GLU CG C 36.399 0.300 1 670 66 66 GLU N N 119.904 0.300 1 671 67 67 ARG H H 9.162 0.030 1 672 67 67 ARG HA H 4.656 0.030 1 673 67 67 ARG HB2 H 1.732 0.030 1 674 67 67 ARG HB3 H 1.732 0.030 1 675 67 67 ARG HG2 H 1.590 0.030 2 676 67 67 ARG HG3 H 1.356 0.030 2 677 67 67 ARG HD2 H 3.179 0.030 1 678 67 67 ARG HD3 H 3.179 0.030 1 679 67 67 ARG HE H 7.519 0.030 1 680 67 67 ARG C C 175.344 0.300 1 681 67 67 ARG CA C 54.584 0.300 1 682 67 67 ARG CB C 32.685 0.300 1 683 67 67 ARG CG C 27.059 0.300 1 684 67 67 ARG CD C 43.712 0.300 1 685 67 67 ARG N N 124.395 0.300 1 686 67 67 ARG NE N 84.448 0.300 1 687 68 68 VAL H H 9.073 0.030 1 688 68 68 VAL HA H 3.660 0.030 1 689 68 68 VAL HB H 1.980 0.030 1 690 68 68 VAL HG1 H 0.809 0.030 1 691 68 68 VAL HG2 H 0.881 0.030 1 692 68 68 VAL C C 175.692 0.300 1 693 68 68 VAL CA C 64.868 0.300 1 694 68 68 VAL CB C 31.856 0.300 1 695 68 68 VAL CG1 C 21.919 0.300 2 696 68 68 VAL CG2 C 22.770 0.300 2 697 68 68 VAL N N 128.297 0.300 1 698 69 69 LEU H H 9.105 0.030 1 699 69 69 LEU HA H 4.490 0.030 1 700 69 69 LEU HB2 H 1.578 0.030 2 701 69 69 LEU HB3 H 1.350 0.030 2 702 69 69 LEU HG H 1.676 0.030 1 703 69 69 LEU HD1 H 0.829 0.030 1 704 69 69 LEU HD2 H 0.871 0.030 1 705 69 69 LEU C C 176.934 0.300 1 706 69 69 LEU CA C 55.556 0.300 1 707 69 69 LEU CB C 43.322 0.300 1 708 69 69 LEU CG C 27.132 0.300 1 709 69 69 LEU CD1 C 25.973 0.300 2 710 69 69 LEU CD2 C 21.991 0.300 2 711 69 69 LEU N N 128.604 0.300 1 712 70 70 MET H H 7.631 0.030 1 713 70 70 MET HA H 4.485 0.030 1 714 70 70 MET HB2 H 1.971 0.030 2 715 70 70 MET HB3 H 1.561 0.030 2 716 70 70 MET HG2 H 2.152 0.030 2 717 70 70 MET HG3 H 1.941 0.030 2 718 70 70 MET HE H 0.881 0.030 1 719 70 70 MET C C 173.007 0.300 1 720 70 70 MET CA C 55.710 0.300 1 721 70 70 MET CB C 35.489 0.300 1 722 70 70 MET CG C 32.200 0.300 1 723 70 70 MET CE C 17.068 0.300 1 724 70 70 MET N N 116.777 0.300 1 725 71 71 GLU H H 8.817 0.030 1 726 71 71 GLU HA H 5.112 0.030 1 727 71 71 GLU HB2 H 2.103 0.030 2 728 71 71 GLU HB3 H 1.900 0.030 2 729 71 71 GLU HG2 H 2.188 0.030 2 730 71 71 GLU HG3 H 2.082 0.030 2 731 71 71 GLU C C 173.637 0.300 1 732 71 71 GLU CA C 55.533 0.300 1 733 71 71 GLU CB C 32.520 0.300 1 734 71 71 GLU CG C 35.168 0.300 1 735 71 71 GLU N N 125.521 0.300 1 736 72 72 GLY H H 8.291 0.030 1 737 72 72 GLY HA2 H 4.320 0.030 2 738 72 72 GLY HA3 H 4.010 0.030 2 739 72 72 GLY C C 170.692 0.300 1 740 72 72 GLY CA C 45.603 0.300 1 741 72 72 GLY N N 108.707 0.300 1 742 73 73 LYS H H 8.382 0.030 1 743 73 73 LYS HA H 4.575 0.030 1 744 73 73 LYS HB2 H 1.730 0.030 2 745 73 73 LYS HB3 H 1.586 0.030 2 746 73 73 LYS HG2 H 1.400 0.030 2 747 73 73 LYS HG3 H 1.522 0.030 2 748 73 73 LYS C C 176.017 0.300 1 749 73 73 LYS CA C 54.748 0.300 1 750 73 73 LYS CB C 33.425 0.300 1 751 73 73 LYS CG C 24.770 0.300 1 752 73 73 LYS CD C 29.014 0.300 1 753 73 73 LYS CE C 42.192 0.300 1 754 73 73 LYS N N 120.130 0.300 1 755 74 74 LEU H H 7.880 0.030 1 756 74 74 LEU HA H 4.940 0.030 1 757 74 74 LEU HB2 H 1.873 0.030 2 758 74 74 LEU HB3 H 1.580 0.030 2 759 74 74 LEU HG H 1.247 0.030 1 760 74 74 LEU HD1 H 0.938 0.030 1 761 74 74 LEU HD2 H 0.760 0.030 1 762 74 74 LEU C C 179.159 0.300 1 763 74 74 LEU CA C 53.903 0.300 1 764 74 74 LEU CB C 43.940 0.300 1 765 74 74 LEU CG C 27.646 0.300 1 766 74 74 LEU CD1 C 27.638 0.300 2 767 74 74 LEU CD2 C 23.729 0.300 2 768 74 74 LEU N N 124.401 0.300 1 769 75 75 THR H H 7.518 0.030 1 770 75 75 THR HA H 3.392 0.030 1 771 75 75 THR HB H 3.405 0.030 1 772 75 75 THR HG2 H 0.691 0.030 1 773 75 75 THR C C 173.831 0.300 1 774 75 75 THR CA C 63.880 0.300 1 775 75 75 THR CB C 68.514 0.300 1 776 75 75 THR CG2 C 22.208 0.300 1 777 75 75 THR N N 110.774 0.300 1 778 76 76 HIS H H 6.032 0.030 1 779 76 76 HIS HA H 4.242 0.030 1 780 76 76 HIS HB2 H 2.957 0.030 2 781 76 76 HIS HB3 H 1.942 0.030 2 782 76 76 HIS HD2 H 7.013 0.030 1 783 76 76 HIS HE1 H 7.793 0.030 1 784 76 76 HIS C C 171.654 0.300 1 785 76 76 HIS CA C 53.225 0.300 1 786 76 76 HIS CB C 31.791 0.300 1 787 76 76 HIS CE1 C 136.500 0.300 1 788 76 76 HIS N N 115.246 0.300 1 789 77 77 LYS H H 7.890 0.030 1 790 77 77 LYS HA H 4.998 0.030 1 791 77 77 LYS HB2 H 1.820 0.030 1 792 77 77 LYS HB3 H 1.820 0.030 1 793 77 77 LYS HG2 H 1.560 0.030 2 794 77 77 LYS HG3 H 1.428 0.030 2 795 77 77 LYS HD2 H 1.656 0.030 1 796 77 77 LYS HD3 H 1.656 0.030 1 797 77 77 LYS HE2 H 2.982 0.030 1 798 77 77 LYS HE3 H 2.982 0.030 1 799 77 77 LYS C C 177.519 0.300 1 800 77 77 LYS CA C 56.258 0.300 1 801 77 77 LYS CB C 34.078 0.300 1 802 77 77 LYS CG C 25.828 0.300 1 803 77 77 LYS CD C 29.276 0.300 1 804 77 77 LYS CE C 42.209 0.300 1 805 77 77 LYS N N 115.837 0.300 1 806 78 78 ILE H H 8.544 0.030 1 807 78 78 ILE HA H 5.175 0.030 1 808 78 78 ILE HB H 1.918 0.030 1 809 78 78 ILE HG12 H 1.310 0.030 2 810 78 78 ILE HG13 H 1.140 0.030 2 811 78 78 ILE HG2 H 1.001 0.030 1 812 78 78 ILE HD1 H 0.805 0.030 1 813 78 78 ILE C C 175.885 0.300 1 814 78 78 ILE CA C 58.760 0.300 1 815 78 78 ILE CB C 42.553 0.300 1 816 78 78 ILE CG1 C 26.263 0.300 1 817 78 78 ILE CG2 C 21.395 0.300 1 818 78 78 ILE CD1 C 15.692 0.300 1 819 78 78 ILE N N 112.401 0.300 1 820 79 79 ASN H H 8.760 0.030 1 821 79 79 ASN HA H 4.951 0.030 1 822 79 79 ASN HB2 H 2.536 0.030 2 823 79 79 ASN HB3 H 2.889 0.030 2 824 79 79 ASN HD21 H 7.566 0.030 2 825 79 79 ASN HD22 H 7.004 0.030 2 826 79 79 ASN C C 177.817 0.300 1 827 79 79 ASN CA C 51.100 0.300 1 828 79 79 ASN CB C 38.388 0.300 1 829 79 79 ASN N N 118.500 0.300 1 830 79 79 ASN ND2 N 112.514 0.300 1 831 80 80 THR HA H 3.601 0.030 1 832 80 80 THR HB H 4.290 0.030 1 833 80 80 THR HG2 H 1.089 0.030 1 834 80 80 THR C C 176.632 0.300 1 835 80 80 THR CA C 65.743 0.300 1 836 80 80 THR CB C 67.627 0.300 1 837 80 80 THR CG2 C 22.670 0.300 1 838 81 81 GLU H H 8.442 0.030 1 839 81 81 GLU HA H 4.220 0.030 1 840 81 81 GLU HB2 H 2.151 0.030 1 841 81 81 GLU HB3 H 2.151 0.030 1 842 81 81 GLU HG2 H 2.379 0.030 1 843 81 81 GLU HG3 H 2.379 0.030 1 844 81 81 GLU C C 177.531 0.300 1 845 81 81 GLU CA C 58.852 0.300 1 846 81 81 GLU CB C 29.319 0.300 1 847 81 81 GLU CG C 36.906 0.300 1 848 81 81 GLU N N 120.565 0.300 1 849 82 82 SER H H 6.990 0.030 1 850 82 82 SER HA H 4.713 0.030 1 851 82 82 SER HB2 H 3.991 0.030 2 852 82 82 SER HB3 H 3.764 0.030 2 853 82 82 SER C C 173.769 0.300 1 854 82 82 SER CA C 57.369 0.300 1 855 82 82 SER CB C 64.451 0.300 1 856 82 82 SER N N 110.895 0.300 1 857 83 83 SER H H 7.138 0.030 1 858 83 83 SER HA H 4.955 0.030 1 859 83 83 SER HB2 H 4.110 0.030 2 860 83 83 SER HB3 H 3.710 0.030 2 861 83 83 SER C C 171.965 0.300 1 862 83 83 SER CA C 59.519 0.300 1 863 83 83 SER CB C 64.596 0.300 1 864 83 83 SER N N 118.497 0.300 1 865 84 84 LEU H H 8.887 0.030 1 866 84 84 LEU HA H 4.841 0.030 1 867 84 84 LEU HB2 H 1.783 0.030 2 868 84 84 LEU HB3 H 1.620 0.030 2 869 84 84 LEU HG H 1.571 0.030 1 870 84 84 LEU HD1 H 0.830 0.030 1 871 84 84 LEU HD2 H 0.828 0.030 1 872 84 84 LEU C C 173.995 0.300 1 873 84 84 LEU CA C 55.296 0.300 1 874 84 84 LEU CB C 45.099 0.300 1 875 84 84 LEU CG C 26.680 0.300 1 876 84 84 LEU CD1 C 25.239 0.300 2 877 84 84 LEU CD2 C 25.322 0.300 2 878 84 84 LEU N N 122.411 0.300 1 879 85 85 TRP H H 7.930 0.030 1 880 85 85 TRP HA H 5.939 0.030 1 881 85 85 TRP HB2 H 3.398 0.030 2 882 85 85 TRP HB3 H 2.968 0.030 2 883 85 85 TRP HD1 H 7.051 0.030 1 884 85 85 TRP HE1 H 10.207 0.030 1 885 85 85 TRP HE3 H 7.227 0.030 1 886 85 85 TRP HZ2 H 7.530 0.030 1 887 85 85 TRP HZ3 H 6.709 0.030 1 888 85 85 TRP HH2 H 7.258 0.030 1 889 85 85 TRP C C 174.329 0.300 1 890 85 85 TRP CA C 55.090 0.300 1 891 85 85 TRP CB C 33.734 0.300 1 892 85 85 TRP CD1 C 126.750 0.300 1 893 85 85 TRP CE3 C 120.088 0.300 1 894 85 85 TRP CZ2 C 114.721 0.300 1 895 85 85 TRP CZ3 C 120.720 0.300 1 896 85 85 TRP CH2 C 124.502 0.300 1 897 85 85 TRP N N 115.226 0.300 1 898 85 85 TRP NE1 N 129.957 0.300 1 899 86 86 SER H H 9.601 0.030 1 900 86 86 SER HA H 4.231 0.030 1 901 86 86 SER HB2 H 3.743 0.030 1 902 86 86 SER HB3 H 3.743 0.030 1 903 86 86 SER C C 172.036 0.300 1 904 86 86 SER CA C 57.417 0.300 1 905 86 86 SER CB C 65.598 0.300 1 906 86 86 SER N N 114.046 0.300 1 907 87 87 LEU H H 8.831 0.030 1 908 87 87 LEU HA H 5.042 0.030 1 909 87 87 LEU HB2 H 1.918 0.030 2 910 87 87 LEU HB3 H 1.310 0.030 2 911 87 87 LEU HG H 1.002 0.030 1 912 87 87 LEU HD1 H 0.578 0.030 1 913 87 87 LEU HD2 H 0.788 0.030 1 914 87 87 LEU C C 176.026 0.300 1 915 87 87 LEU CA C 53.814 0.300 1 916 87 87 LEU CB C 45.066 0.300 1 917 87 87 LEU CG C 28.056 0.300 1 918 87 87 LEU CD1 C 26.190 0.300 2 919 87 87 LEU CD2 C 23.584 0.300 2 920 87 87 LEU N N 122.405 0.300 1 921 88 88 GLU H H 9.349 0.030 1 922 88 88 GLU HA H 4.998 0.030 1 923 88 88 GLU HB2 H 2.149 0.030 2 924 88 88 GLU HB3 H 2.269 0.030 2 925 88 88 GLU HG2 H 2.169 0.030 2 926 88 88 GLU HG3 H 2.132 0.030 2 927 88 88 GLU C C 174.110 0.300 1 928 88 88 GLU CA C 53.459 0.300 1 929 88 88 GLU CB C 29.262 0.300 1 930 88 88 GLU CG C 35.950 0.300 1 931 88 88 GLU N N 130.245 0.300 1 932 89 89 PRO HA H 3.840 0.030 1 933 89 89 PRO HB2 H 2.438 0.030 2 934 89 89 PRO HB3 H 2.070 0.030 2 935 89 89 PRO HG2 H 2.230 0.030 2 936 89 89 PRO HG3 H 1.910 0.030 2 937 89 89 PRO HD2 H 3.821 0.030 2 938 89 89 PRO HD3 H 4.250 0.030 2 939 89 89 PRO C C 177.275 0.300 1 940 89 89 PRO CA C 64.954 0.300 1 941 89 89 PRO CB C 32.428 0.300 1 942 89 89 PRO CG C 27.811 0.300 1 943 89 89 PRO CD C 52.111 0.300 1 944 90 90 GLY H H 9.069 0.030 1 945 90 90 GLY HA2 H 3.857 0.030 2 946 90 90 GLY HA3 H 3.719 0.030 2 947 90 90 GLY C C 172.851 0.300 1 948 90 90 GLY CA C 46.447 0.300 1 949 90 90 GLY N N 112.406 0.300 1 950 91 91 LYS H H 8.205 0.030 1 951 91 91 LYS HA H 4.656 0.030 1 952 91 91 LYS HB2 H 1.719 0.030 2 953 91 91 LYS HB3 H 1.582 0.030 2 954 91 91 LYS HG2 H 1.400 0.030 2 955 91 91 LYS HG3 H 1.287 0.030 2 956 91 91 LYS HD2 H 1.700 0.030 2 957 91 91 LYS HD3 H 1.669 0.030 2 958 91 91 LYS HE2 H 2.969 0.030 1 959 91 91 LYS HE3 H 2.969 0.030 1 960 91 91 LYS C C 176.139 0.300 1 961 91 91 LYS CA C 57.665 0.300 1 962 91 91 LYS CB C 35.958 0.300 1 963 91 91 LYS CG C 24.670 0.300 1 964 91 91 LYS CD C 29.231 0.300 1 965 91 91 LYS CE C 42.336 0.300 1 966 91 91 LYS N N 118.127 0.300 1 967 92 92 CYS H H 8.442 0.030 1 968 92 92 CYS HA H 5.355 0.030 1 969 92 92 CYS HB2 H 2.508 0.030 2 970 92 92 CYS HB3 H 3.142 0.030 2 971 92 92 CYS C C 171.869 0.300 1 972 92 92 CYS CA C 56.867 0.300 1 973 92 92 CYS CB C 29.901 0.300 1 974 92 92 CYS N N 112.923 0.300 1 975 93 93 VAL H H 9.061 0.030 1 976 93 93 VAL HA H 4.499 0.030 1 977 93 93 VAL HB H 1.846 0.030 1 978 93 93 VAL HG1 H 0.860 0.030 1 979 93 93 VAL HG2 H 0.780 0.030 1 980 93 93 VAL C C 173.943 0.300 1 981 93 93 VAL CA C 62.585 0.300 1 982 93 93 VAL CB C 33.509 0.300 1 983 93 93 VAL CG1 C 22.000 0.300 2 984 93 93 VAL CG2 C 22.700 0.300 2 985 93 93 VAL N N 121.601 0.300 1 986 94 94 LEU H H 9.360 0.030 1 987 94 94 LEU HA H 5.145 0.030 1 988 94 94 LEU HB2 H 1.839 0.030 2 989 94 94 LEU HB3 H 1.361 0.030 2 990 94 94 LEU HG H 1.418 0.030 1 991 94 94 LEU HD1 H 0.788 0.030 1 992 94 94 LEU HD2 H 0.768 0.030 1 993 94 94 LEU C C 175.457 0.300 1 994 94 94 LEU CA C 53.878 0.300 1 995 94 94 LEU CB C 43.605 0.300 1 996 94 94 LEU CG C 27.711 0.300 1 997 94 94 LEU CD1 C 25.466 0.300 2 998 94 94 LEU CD2 C 24.725 0.300 2 999 94 94 LEU N N 131.373 0.300 1 1000 95 95 VAL H H 9.751 0.030 1 1001 95 95 VAL HA H 4.684 0.030 1 1002 95 95 VAL HB H 1.971 0.030 1 1003 95 95 VAL HG1 H 0.834 0.030 1 1004 95 95 VAL HG2 H 0.780 0.030 1 1005 95 95 VAL C C 174.161 0.300 1 1006 95 95 VAL CA C 61.267 0.300 1 1007 95 95 VAL CB C 33.646 0.300 1 1008 95 95 VAL CG1 C 22.481 0.300 2 1009 95 95 VAL CG2 C 20.671 0.300 2 1010 95 95 VAL N N 126.569 0.300 1 1011 96 96 ASN H H 9.402 0.030 1 1012 96 96 ASN HA H 5.438 0.030 1 1013 96 96 ASN HB2 H 2.859 0.030 2 1014 96 96 ASN HB3 H 2.490 0.030 2 1015 96 96 ASN HD21 H 7.041 0.030 2 1016 96 96 ASN HD22 H 7.217 0.030 2 1017 96 96 ASN C C 173.742 0.300 1 1018 96 96 ASN CA C 53.252 0.300 1 1019 96 96 ASN CB C 40.856 0.300 1 1020 96 96 ASN N N 127.771 0.300 1 1021 96 96 ASN ND2 N 109.919 0.300 1 1022 97 97 LEU H H 8.759 0.030 1 1023 97 97 LEU HA H 4.620 0.030 1 1024 97 97 LEU HB2 H 1.689 0.030 2 1025 97 97 LEU HB3 H 1.012 0.030 2 1026 97 97 LEU HG H 1.458 0.030 1 1027 97 97 LEU HD1 H 0.581 0.030 1 1028 97 97 LEU HD2 H 0.749 0.030 1 1029 97 97 LEU C C 175.029 0.300 1 1030 97 97 LEU CA C 52.466 0.300 1 1031 97 97 LEU CB C 43.417 0.300 1 1032 97 97 LEU CG C 25.756 0.300 1 1033 97 97 LEU CD1 C 25.539 0.300 2 1034 97 97 LEU CD2 C 24.760 0.300 2 1035 97 97 LEU N N 121.632 0.300 1 1036 98 98 SER H H 7.913 0.030 1 1037 98 98 SER HA H 4.927 0.030 1 1038 98 98 SER HB2 H 3.818 0.030 2 1039 98 98 SER HB3 H 3.657 0.030 2 1040 98 98 SER C C 175.150 0.300 1 1041 98 98 SER CA C 56.703 0.300 1 1042 98 98 SER CB C 63.237 0.300 1 1043 98 98 SER N N 117.851 0.300 1 1044 99 99 LYS H H 8.142 0.030 1 1045 99 99 LYS HA H 4.048 0.030 1 1046 99 99 LYS HB2 H 2.130 0.030 2 1047 99 99 LYS HB3 H 1.651 0.030 2 1048 99 99 LYS HG2 H 1.042 0.030 2 1049 99 99 LYS HG3 H 0.910 0.030 2 1050 99 99 LYS HD2 H 1.410 0.030 2 1051 99 99 LYS HD3 H 1.658 0.030 2 1052 99 99 LYS HE2 H 2.361 0.030 2 1053 99 99 LYS HE3 H 2.180 0.030 2 1054 99 99 LYS C C 177.365 0.300 1 1055 99 99 LYS CA C 58.999 0.300 1 1056 99 99 LYS CB C 34.131 0.300 1 1057 99 99 LYS CG C 27.404 0.300 1 1058 99 99 LYS CD C 30.345 0.300 1 1059 99 99 LYS CE C 42.336 0.300 1 1060 99 99 LYS N N 126.524 0.300 1 1061 100 100 VAL H H 7.789 0.030 1 1062 100 100 VAL HA H 4.170 0.030 1 1063 100 100 VAL HB H 1.970 0.030 1 1064 100 100 VAL HG1 H 0.922 0.030 1 1065 100 100 VAL HG2 H 0.836 0.030 1 1066 100 100 VAL C C 176.654 0.300 1 1067 100 100 VAL CA C 63.481 0.300 1 1068 100 100 VAL CB C 31.920 0.300 1 1069 100 100 VAL CG1 C 21.050 0.300 2 1070 100 100 VAL CG2 C 21.250 0.300 2 1071 100 100 VAL N N 119.571 0.300 1 1072 101 101 GLY H H 8.400 0.030 1 1073 101 101 GLY HA2 H 4.000 0.030 2 1074 101 101 GLY HA3 H 3.889 0.030 2 1075 101 101 GLY C C 173.138 0.300 1 1076 101 101 GLY CA C 44.124 0.300 1 1077 101 101 GLY N N 113.151 0.300 1 1078 102 102 GLU H H 8.261 0.030 1 1079 102 102 GLU HA H 4.350 0.030 1 1080 102 102 GLU HB2 H 1.861 0.030 2 1081 102 102 GLU HB3 H 1.737 0.030 2 1082 102 102 GLU HG2 H 2.082 0.030 1 1083 102 102 GLU HG3 H 2.082 0.030 1 1084 102 102 GLU C C 175.379 0.300 1 1085 102 102 GLU CA C 55.770 0.300 1 1086 102 102 GLU CB C 28.834 0.300 1 1087 102 102 GLU CG C 36.427 0.300 1 1088 102 102 GLU N N 120.683 0.300 1 1089 103 103 TYR H H 7.164 0.030 1 1090 103 103 TYR HA H 4.453 0.030 1 1091 103 103 TYR HB2 H 2.668 0.030 2 1092 103 103 TYR HB3 H 2.548 0.030 2 1093 103 103 TYR HD1 H 6.920 0.030 1 1094 103 103 TYR HD2 H 6.920 0.030 1 1095 103 103 TYR HE1 H 6.692 0.030 1 1096 103 103 TYR HE2 H 6.692 0.030 1 1097 103 103 TYR C C 175.107 0.300 1 1098 103 103 TYR CA C 57.192 0.300 1 1099 103 103 TYR CB C 40.022 0.300 1 1100 103 103 TYR CD1 C 132.879 0.300 1 1101 103 103 TYR CD2 C 132.879 0.300 1 1102 103 103 TYR CE1 C 118.279 0.300 1 1103 103 103 TYR CE2 C 118.279 0.300 1 1104 103 103 TYR N N 120.071 0.300 1 1105 104 104 TRP H H 9.175 0.030 1 1106 104 104 TRP HA H 4.584 0.030 1 1107 104 104 TRP HB2 H 3.343 0.030 2 1108 104 104 TRP HB3 H 3.120 0.030 2 1109 104 104 TRP HD1 H 7.204 0.030 1 1110 104 104 TRP HE1 H 9.961 0.030 1 1111 104 104 TRP HE3 H 7.331 0.030 1 1112 104 104 TRP HZ2 H 7.337 0.030 1 1113 104 104 TRP HZ3 H 6.489 0.030 1 1114 104 104 TRP HH2 H 7.010 0.030 1 1115 104 104 TRP C C 176.752 0.300 1 1116 104 104 TRP CA C 56.806 0.300 1 1117 104 104 TRP CB C 29.168 0.300 1 1118 104 104 TRP CD1 C 127.284 0.300 1 1119 104 104 TRP CE3 C 119.544 0.300 1 1120 104 104 TRP CZ2 C 114.889 0.300 1 1121 104 104 TRP CZ3 C 121.131 0.300 1 1122 104 104 TRP CH2 C 124.344 0.300 1 1123 104 104 TRP N N 127.241 0.300 1 1124 104 104 TRP NE1 N 129.266 0.300 1 1125 105 105 TRP H H 9.785 0.030 1 1126 105 105 TRP HA H 4.760 0.030 1 1127 105 105 TRP HB2 H 2.781 0.030 2 1128 105 105 TRP HB3 H 3.159 0.030 2 1129 105 105 TRP HD1 H 7.191 0.030 1 1130 105 105 TRP HE1 H 10.136 0.030 1 1131 105 105 TRP HE3 H 7.669 0.030 1 1132 105 105 TRP HZ2 H 7.023 0.030 1 1133 105 105 TRP HZ3 H 7.153 0.030 1 1134 105 105 TRP HH2 H 6.984 0.030 1 1135 105 105 TRP C C 176.401 0.300 1 1136 105 105 TRP CA C 58.007 0.300 1 1137 105 105 TRP CB C 29.029 0.300 1 1138 105 105 TRP CD1 C 123.239 0.300 1 1139 105 105 TRP CE3 C 123.099 0.300 1 1140 105 105 TRP CZ2 C 114.168 0.300 1 1141 105 105 TRP CZ3 C 120.622 0.300 1 1142 105 105 TRP CH2 C 125.729 0.300 1 1143 105 105 TRP N N 130.432 0.300 1 1144 105 105 TRP NE1 N 127.245 0.300 1 1145 106 106 ASN H H 8.360 0.030 1 1146 106 106 ASN HA H 5.126 0.030 1 1147 106 106 ASN HB2 H 3.120 0.030 2 1148 106 106 ASN HB3 H 3.010 0.030 2 1149 106 106 ASN HD21 H 7.812 0.030 2 1150 106 106 ASN HD22 H 6.995 0.030 2 1151 106 106 ASN C C 173.831 0.300 1 1152 106 106 ASN CA C 53.182 0.300 1 1153 106 106 ASN CB C 40.013 0.300 1 1154 106 106 ASN ND2 N 111.632 0.300 1 1155 107 107 ALA H H 7.722 0.030 1 1156 107 107 ALA HA H 4.456 0.030 1 1157 107 107 ALA HB H 1.332 0.030 1 1158 107 107 ALA C C 175.781 0.300 1 1159 107 107 ALA CA C 51.592 0.300 1 1160 107 107 ALA CB C 21.591 0.300 1 1161 107 107 ALA N N 119.912 0.300 1 1162 108 108 ILE H H 8.684 0.030 1 1163 108 108 ILE HA H 4.043 0.030 1 1164 108 108 ILE HB H 1.586 0.030 1 1165 108 108 ILE HG12 H 0.389 0.030 2 1166 108 108 ILE HG13 H -0.190 0.030 2 1167 108 108 ILE HG2 H 0.331 0.030 1 1168 108 108 ILE HD1 H -0.201 0.030 1 1169 108 108 ILE C C 175.536 0.300 1 1170 108 108 ILE CA C 61.192 0.300 1 1171 108 108 ILE CB C 35.714 0.300 1 1172 108 108 ILE CG1 C 26.032 0.300 1 1173 108 108 ILE CG2 C 17.212 0.300 1 1174 108 108 ILE CD1 C 10.207 0.300 1 1175 108 108 ILE N N 120.643 0.300 1 1176 109 109 LEU H H 6.784 0.030 1 1177 109 109 LEU HA H 5.158 0.030 1 1178 109 109 LEU HB2 H 1.409 0.030 2 1179 109 109 LEU HB3 H 1.606 0.030 2 1180 109 109 LEU HG H 1.238 0.030 1 1181 109 109 LEU HD1 H 0.738 0.030 1 1182 109 109 LEU HD2 H 0.351 0.030 1 1183 109 109 LEU C C 178.529 0.300 1 1184 109 109 LEU CA C 51.873 0.300 1 1185 109 109 LEU CB C 44.645 0.300 1 1186 109 109 LEU CG C 25.938 0.300 1 1187 109 109 LEU CD1 C 25.684 0.300 2 1188 109 109 LEU CD2 C 22.860 0.300 2 1189 109 109 LEU N N 114.672 0.300 1 1190 110 110 GLU H H 8.652 0.030 1 1191 110 110 GLU HA H 3.918 0.030 1 1192 110 110 GLU HB2 H 1.889 0.030 2 1193 110 110 GLU HB3 H 1.709 0.030 2 1194 110 110 GLU HG2 H 2.050 0.030 2 1195 110 110 GLU HG3 H 1.971 0.030 2 1196 110 110 GLU C C 177.785 0.300 1 1197 110 110 GLU CA C 57.755 0.300 1 1198 110 110 GLU CB C 29.772 0.300 1 1199 110 110 GLU CG C 36.110 0.300 1 1200 110 110 GLU N N 121.978 0.300 1 1201 111 111 GLY H H 8.699 0.030 1 1202 111 111 GLY HA2 H 4.221 0.030 2 1203 111 111 GLY HA3 H 3.729 0.030 2 1204 111 111 GLY C C 174.004 0.300 1 1205 111 111 GLY CA C 45.339 0.300 1 1206 111 111 GLY N N 113.719 0.300 1 1207 112 112 GLU H H 7.695 0.030 1 1208 112 112 GLU HA H 4.277 0.030 1 1209 112 112 GLU HB2 H 2.239 0.030 2 1210 112 112 GLU HB3 H 2.017 0.030 2 1211 112 112 GLU HG2 H 2.560 0.030 2 1212 112 112 GLU HG3 H 2.410 0.030 2 1213 112 112 GLU C C 176.131 0.300 1 1214 112 112 GLU CA C 56.007 0.300 1 1215 112 112 GLU CB C 31.027 0.300 1 1216 112 112 GLU CG C 35.892 0.300 1 1217 112 112 GLU N N 122.090 0.300 1 1218 113 113 GLU H H 8.752 0.030 1 1219 113 113 GLU HA H 4.506 0.030 1 1220 113 113 GLU HB2 H 2.029 0.030 2 1221 113 113 GLU HB3 H 1.969 0.030 2 1222 113 113 GLU HG2 H 2.340 0.030 1 1223 113 113 GLU HG3 H 2.340 0.030 1 1224 113 113 GLU C C 173.935 0.300 1 1225 113 113 GLU CA C 54.649 0.300 1 1226 113 113 GLU CB C 29.974 0.300 1 1227 113 113 GLU CG C 36.024 0.300 1 1228 113 113 GLU N N 127.586 0.300 1 1229 114 114 PRO HA H 4.699 0.030 1 1230 114 114 PRO HB2 H 2.231 0.030 2 1231 114 114 PRO HB3 H 1.975 0.030 2 1232 114 114 PRO HG2 H 2.080 0.030 2 1233 114 114 PRO HG3 H 2.000 0.030 2 1234 114 114 PRO HD2 H 3.911 0.030 2 1235 114 114 PRO HD3 H 3.709 0.030 2 1236 114 114 PRO C C 177.992 0.300 1 1237 114 114 PRO CA C 62.623 0.300 1 1238 114 114 PRO CB C 32.634 0.300 1 1239 114 114 PRO CG C 27.694 0.300 1 1240 114 114 PRO CD C 50.608 0.300 1 1241 115 115 ILE H H 8.744 0.030 1 1242 115 115 ILE HA H 4.328 0.030 1 1243 115 115 ILE HB H 1.922 0.030 1 1244 115 115 ILE HG12 H 1.310 0.030 2 1245 115 115 ILE HG13 H 1.459 0.030 2 1246 115 115 ILE HG2 H 0.978 0.030 1 1247 115 115 ILE HD1 H 0.806 0.030 1 1248 115 115 ILE C C 175.771 0.300 1 1249 115 115 ILE CA C 61.108 0.300 1 1250 115 115 ILE CB C 39.424 0.300 1 1251 115 115 ILE CG1 C 26.751 0.300 1 1252 115 115 ILE CG2 C 18.196 0.300 1 1253 115 115 ILE CD1 C 14.063 0.300 1 1254 115 115 ILE N N 119.065 0.300 1 1255 116 116 ASP H H 8.410 0.030 1 1256 116 116 ASP HA H 4.713 0.030 1 1257 116 116 ASP HB2 H 2.720 0.030 2 1258 116 116 ASP HB3 H 2.610 0.030 2 1259 116 116 ASP C C 176.001 0.300 1 1260 116 116 ASP CA C 53.945 0.300 1 1261 116 116 ASP CB C 41.329 0.300 1 1262 116 116 ASP N N 122.810 0.300 1 1263 117 117 ILE H H 8.079 0.030 1 1264 117 117 ILE HA H 4.181 0.030 1 1265 117 117 ILE HB H 1.829 0.030 1 1266 117 117 ILE HG12 H 1.390 0.030 2 1267 117 117 ILE HG13 H 1.139 0.030 2 1268 117 117 ILE HG2 H 0.840 0.030 1 1269 117 117 ILE HD1 H 0.794 0.030 1 1270 117 117 ILE C C 175.685 0.300 1 1271 117 117 ILE CA C 60.950 0.300 1 1272 117 117 ILE CB C 39.369 0.300 1 1273 117 117 ILE CG1 C 27.349 0.300 1 1274 117 117 ILE CG2 C 17.285 0.300 1 1275 117 117 ILE CD1 C 13.447 0.300 1 1276 117 117 ILE N N 121.393 0.300 1 1277 118 118 ASP H H 8.393 0.030 1 1278 118 118 ASP HA H 4.670 0.030 1 1279 118 118 ASP HB2 H 2.745 0.030 2 1280 118 118 ASP HB3 H 2.645 0.030 2 1281 118 118 ASP C C 176.192 0.300 1 1282 118 118 ASP CA C 54.451 0.300 1 1283 118 118 ASP CB C 41.423 0.300 1 1284 118 118 ASP N N 124.165 0.300 1 1285 119 119 SER H H 8.238 0.030 1 1286 119 119 SER HA H 4.456 0.030 1 1287 119 119 SER HB2 H 3.910 0.030 2 1288 119 119 SER HB3 H 3.839 0.030 2 1289 119 119 SER C C 174.784 0.300 1 1290 119 119 SER CA C 58.478 0.300 1 1291 119 119 SER CB C 64.025 0.300 1 1292 119 119 SER N N 116.781 0.300 1 1293 120 120 GLY H H 8.262 0.030 1 1294 120 120 GLY HA2 H 4.057 0.030 1 1295 120 120 GLY HA3 H 4.057 0.030 1 1296 120 120 GLY C C 171.820 0.300 1 1297 120 120 GLY CA C 44.774 0.300 1 1298 120 120 GLY N N 110.668 0.300 1 1299 121 121 PRO HA H 4.442 0.030 1 1300 121 121 PRO HB2 H 2.260 0.030 2 1301 121 121 PRO HB3 H 1.960 0.030 2 1302 121 121 PRO HG2 H 1.972 0.030 1 1303 121 121 PRO HG3 H 1.972 0.030 1 1304 121 121 PRO HD2 H 3.521 0.030 2 1305 121 121 PRO HD3 H 3.579 0.030 2 1306 121 121 PRO C C 177.362 0.300 1 1307 121 121 PRO CA C 63.272 0.300 1 1308 121 121 PRO CB C 32.312 0.300 1 1309 121 121 PRO CG C 27.204 0.300 1 1310 121 121 PRO CD C 49.794 0.300 1 1311 122 122 SER H H 8.495 0.030 1 1312 122 122 SER HA H 4.499 0.030 1 1313 122 122 SER HB2 H 3.900 0.030 1 1314 122 122 SER HB3 H 3.900 0.030 1 1315 122 122 SER C C 174.714 0.300 1 1316 122 122 SER CA C 58.331 0.300 1 1317 122 122 SER CB C 63.954 0.300 1 1318 122 122 SER N N 116.410 0.300 1 1319 123 123 SER H H 8.337 0.030 1 1320 123 123 SER HA H 4.499 0.030 1 1321 123 123 SER HB2 H 3.900 0.030 1 1322 123 123 SER HB3 H 3.900 0.030 1 1323 123 123 SER C C 173.935 0.300 1 1324 123 123 SER CA C 58.360 0.300 1 1325 123 123 SER CB C 63.993 0.300 1 1326 123 123 SER N N 117.949 0.300 1 1327 124 124 GLY H H 8.043 0.030 1 1328 124 124 GLY HA2 H 3.786 0.030 1 1329 124 124 GLY HA3 H 3.786 0.030 1 1330 124 124 GLY C C 179.023 0.300 1 1331 124 124 GLY CA C 46.289 0.300 1 1332 124 124 GLY N N 116.864 0.300 1 stop_ save_