data_10256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal PH domain of hypothetical protein KIAA1914 from human ; _BMRB_accession_number 10256 _BMRB_flat_file_name bmr10256.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Saito K. . . 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" 581 "13C chemical shifts" 432 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C-terminal PH domain of hypothetical protein KIAA1914 from human ; _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 Saito K. . . 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 'Hypothetical protein KIAA1914' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSGSSGLETSSYLNVLVNS QWKSRWCSVRDNHLHFYQDR NRSKVAQQPLSLVGCEVVPD PSPDHLYSFRILHKGEELAK LEAKSSEEMGHWLGLLLSES GSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 GLU 10 THR 11 SER 12 SER 13 TYR 14 LEU 15 ASN 16 VAL 17 LEU 18 VAL 19 ASN 20 SER 21 GLN 22 TRP 23 LYS 24 SER 25 ARG 26 TRP 27 CYS 28 SER 29 VAL 30 ARG 31 ASP 32 ASN 33 HIS 34 LEU 35 HIS 36 PHE 37 TYR 38 GLN 39 ASP 40 ARG 41 ASN 42 ARG 43 SER 44 LYS 45 VAL 46 ALA 47 GLN 48 GLN 49 PRO 50 LEU 51 SER 52 LEU 53 VAL 54 GLY 55 CYS 56 GLU 57 VAL 58 VAL 59 PRO 60 ASP 61 PRO 62 SER 63 PRO 64 ASP 65 HIS 66 LEU 67 TYR 68 SER 69 PHE 70 ARG 71 ILE 72 LEU 73 HIS 74 LYS 75 GLY 76 GLU 77 GLU 78 LEU 79 ALA 80 LYS 81 LEU 82 GLU 83 ALA 84 LYS 85 SER 86 SER 87 GLU 88 GLU 89 MET 90 GLY 91 HIS 92 TRP 93 LEU 94 GLY 95 LEU 96 LEU 97 LEU 98 SER 99 GLU 100 SER 101 GLY 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 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 2COF "Solution Structure Of The C-Terminal Ph Domain Of Hypothetical Protein Kiaa1914 From Human" 100.00 107 100.00 100.00 7.93e-70 DBJ BAB55135 "unnamed protein product [Homo sapiens]" 88.79 674 100.00 100.00 1.89e-58 DBJ BAF84401 "unnamed protein product [Homo sapiens]" 88.79 818 100.00 100.00 2.24e-58 DBJ BAG53870 "unnamed protein product [Homo sapiens]" 88.79 842 100.00 100.00 3.22e-58 DBJ BAH11936 "unnamed protein product [Homo sapiens]" 88.79 872 100.00 100.00 4.76e-58 GB AAH24314 "Actin filament associated protein 1-like 2 [Homo sapiens]" 88.79 814 100.00 100.00 1.94e-58 GB AAH33212 "Actin filament associated protein 1-like 2 [Homo sapiens]" 88.79 818 100.00 100.00 2.35e-58 GB AAQ05765 "XB130 [Homo sapiens]" 88.79 818 100.00 100.00 1.91e-58 GB EAW49470 "KIAA1914, isoform CRA_a [Homo sapiens]" 88.79 762 100.00 100.00 1.99e-58 GB EAW49471 "KIAA1914, isoform CRA_b [Homo sapiens]" 88.79 848 100.00 100.00 1.75e-58 REF NP_001001936 "actin filament-associated protein 1-like 2 isoform 1 [Homo sapiens]" 88.79 818 100.00 100.00 2.35e-58 REF NP_001248593 "actin filament-associated protein 1-like 2 [Macaca mulatta]" 88.79 818 100.00 100.00 2.15e-58 REF NP_001274753 "actin filament-associated protein 1-like 2 isoform 3 [Homo sapiens]" 88.79 871 100.00 100.00 5.23e-58 REF NP_115939 "actin filament-associated protein 1-like 2 isoform 2 [Homo sapiens]" 88.79 814 100.00 100.00 1.94e-58 REF XP_002821211 "PREDICTED: actin filament-associated protein 1-like 2 isoform X3 [Pongo abelii]" 88.79 814 100.00 100.00 1.30e-58 SP Q8N4X5 "RecName: Full=Actin filament-associated protein 1-like 2; Short=AFAP1-like protein 2" 88.79 818 100.00 100.00 2.35e-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 P040921-07 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 1.59 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 0.913 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 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.952 0.030 1 2 7 7 GLY HA3 H 3.952 0.030 1 3 7 7 GLY C C 174.197 0.300 1 4 7 7 GLY CA C 45.378 0.300 1 5 8 8 LEU H H 8.030 0.030 1 6 8 8 LEU HA H 4.321 0.030 1 7 8 8 LEU HB2 H 1.533 0.030 2 8 8 8 LEU HB3 H 1.481 0.030 2 9 8 8 LEU HD1 H 0.819 0.030 1 10 8 8 LEU HD2 H 0.778 0.030 1 11 8 8 LEU HG H 1.503 0.030 1 12 8 8 LEU C C 177.468 0.300 1 13 8 8 LEU CA C 55.320 0.300 1 14 8 8 LEU CB C 42.556 0.300 1 15 8 8 LEU CD1 C 24.918 0.300 2 16 8 8 LEU CD2 C 23.504 0.300 2 17 8 8 LEU CG C 26.910 0.300 1 18 8 8 LEU N N 121.494 0.300 1 19 9 9 GLU H H 8.577 0.030 1 20 9 9 GLU HA H 4.454 0.030 1 21 9 9 GLU HB2 H 2.120 0.030 2 22 9 9 GLU HB3 H 2.002 0.030 2 23 9 9 GLU HG2 H 2.293 0.030 1 24 9 9 GLU HG3 H 2.293 0.030 1 25 9 9 GLU C C 177.056 0.300 1 26 9 9 GLU CA C 56.956 0.300 1 27 9 9 GLU CB C 30.237 0.300 1 28 9 9 GLU CG C 36.303 0.300 1 29 9 9 GLU N N 121.449 0.300 1 30 10 10 THR H H 8.189 0.030 1 31 10 10 THR HA H 4.323 0.030 1 32 10 10 THR HB H 4.338 0.030 1 33 10 10 THR HG2 H 1.088 0.030 1 34 10 10 THR CA C 62.062 0.300 1 35 10 10 THR CB C 69.441 0.300 1 36 10 10 THR CG2 C 21.683 0.300 1 37 10 10 THR N N 113.730 0.300 1 38 11 11 SER H H 7.883 0.030 1 39 11 11 SER HA H 5.249 0.030 1 40 11 11 SER HB2 H 3.753 0.030 2 41 11 11 SER HB3 H 3.683 0.030 2 42 11 11 SER CA C 57.852 0.300 1 43 11 11 SER CB C 65.426 0.300 1 44 12 12 SER H H 8.413 0.030 1 45 12 12 SER HA H 4.467 0.030 1 46 12 12 SER HB2 H 4.035 0.030 2 47 12 12 SER HB3 H 4.100 0.030 2 48 12 12 SER CA C 58.741 0.300 1 49 12 12 SER CB C 65.239 0.300 1 50 12 12 SER N N 116.995 0.300 1 51 13 13 TYR H H 8.156 0.030 1 52 13 13 TYR HA H 4.936 0.030 1 53 13 13 TYR HB2 H 2.460 0.030 1 54 13 13 TYR HB3 H 2.460 0.030 1 55 13 13 TYR HD1 H 6.953 0.030 1 56 13 13 TYR HD2 H 6.953 0.030 1 57 13 13 TYR HE1 H 6.835 0.030 1 58 13 13 TYR HE2 H 6.835 0.030 1 59 13 13 TYR CA C 58.533 0.300 1 60 13 13 TYR CE1 C 118.658 0.300 1 61 13 13 TYR CE2 C 118.658 0.300 1 62 13 13 TYR N N 121.972 0.300 1 63 14 14 LEU H H 8.803 0.030 1 64 14 14 LEU HA H 4.573 0.030 1 65 14 14 LEU HB2 H 1.441 0.030 2 66 14 14 LEU HB3 H 1.131 0.030 2 67 14 14 LEU HD1 H -0.354 0.030 1 68 14 14 LEU HD2 H 0.363 0.030 1 69 14 14 LEU HG H 0.973 0.030 1 70 14 14 LEU C C 175.845 0.300 1 71 14 14 LEU CA C 54.141 0.300 1 72 14 14 LEU CB C 46.603 0.300 1 73 14 14 LEU CD1 C 24.361 0.300 2 74 14 14 LEU CD2 C 23.123 0.300 2 75 14 14 LEU CG C 27.075 0.300 1 76 14 14 LEU N N 123.967 0.300 1 77 15 15 ASN H H 8.090 0.030 1 78 15 15 ASN HA H 5.669 0.030 1 79 15 15 ASN HB2 H 2.909 0.030 2 80 15 15 ASN HB3 H 2.708 0.030 2 81 15 15 ASN HD21 H 7.740 0.030 2 82 15 15 ASN HD22 H 6.649 0.030 2 83 15 15 ASN C C 174.972 0.300 1 84 15 15 ASN CA C 51.589 0.300 1 85 15 15 ASN CB C 40.317 0.300 1 86 15 15 ASN N N 117.248 0.300 1 87 15 15 ASN ND2 N 112.269 0.300 1 88 16 16 VAL H H 9.452 0.030 1 89 16 16 VAL HA H 4.743 0.030 1 90 16 16 VAL HB H 1.778 0.030 1 91 16 16 VAL HG1 H 0.705 0.030 1 92 16 16 VAL HG2 H 0.852 0.030 1 93 16 16 VAL C C 174.269 0.300 1 94 16 16 VAL CA C 60.574 0.300 1 95 16 16 VAL CB C 35.194 0.300 1 96 16 16 VAL CG1 C 20.724 0.300 2 97 16 16 VAL CG2 C 21.915 0.300 2 98 16 16 VAL N N 122.909 0.300 1 99 17 17 LEU H H 7.892 0.030 1 100 17 17 LEU HA H 3.679 0.030 1 101 17 17 LEU HB2 H 1.122 0.030 2 102 17 17 LEU HB3 H -0.896 0.030 2 103 17 17 LEU HD1 H -0.693 0.030 1 104 17 17 LEU HD2 H 0.254 0.030 1 105 17 17 LEU HG H 0.534 0.030 1 106 17 17 LEU C C 175.747 0.300 1 107 17 17 LEU CA C 54.493 0.300 1 108 17 17 LEU CB C 40.541 0.300 1 109 17 17 LEU CD1 C 20.742 0.300 2 110 17 17 LEU CD2 C 25.898 0.300 2 111 17 17 LEU CG C 25.923 0.300 1 112 17 17 LEU N N 130.093 0.300 1 113 18 18 VAL H H 8.923 0.030 1 114 18 18 VAL HA H 4.053 0.030 1 115 18 18 VAL HB H 1.803 0.030 1 116 18 18 VAL HG1 H 0.781 0.030 1 117 18 18 VAL HG2 H 0.721 0.030 1 118 18 18 VAL C C 175.869 0.300 1 119 18 18 VAL CA C 61.285 0.300 1 120 18 18 VAL CB C 33.609 0.300 1 121 18 18 VAL CG1 C 20.698 0.300 2 122 18 18 VAL CG2 C 20.314 0.300 2 123 18 18 VAL N N 130.417 0.300 1 124 19 19 ASN H H 9.323 0.030 1 125 19 19 ASN HA H 4.232 0.030 1 126 19 19 ASN HB2 H 2.985 0.030 2 127 19 19 ASN HB3 H 2.710 0.030 2 128 19 19 ASN HD21 H 7.515 0.030 2 129 19 19 ASN HD22 H 6.862 0.030 2 130 19 19 ASN C C 174.948 0.300 1 131 19 19 ASN CA C 54.809 0.300 1 132 19 19 ASN CB C 37.192 0.300 1 133 19 19 ASN N N 127.579 0.300 1 134 19 19 ASN ND2 N 112.510 0.300 1 135 20 20 SER H H 8.464 0.030 1 136 20 20 SER HA H 3.653 0.030 1 137 20 20 SER HB2 H 3.949 0.030 2 138 20 20 SER HB3 H 4.103 0.030 2 139 20 20 SER C C 172.645 0.300 1 140 20 20 SER CA C 60.458 0.300 1 141 20 20 SER CB C 62.584 0.300 1 142 20 20 SER N N 106.869 0.300 1 143 21 21 GLN H H 7.695 0.030 1 144 21 21 GLN HA H 4.591 0.030 1 145 21 21 GLN HB2 H 2.029 0.030 2 146 21 21 GLN HB3 H 1.889 0.030 2 147 21 21 GLN HE21 H 7.548 0.030 2 148 21 21 GLN HE22 H 6.890 0.030 2 149 21 21 GLN HG2 H 2.341 0.030 2 150 21 21 GLN HG3 H 2.285 0.030 2 151 21 21 GLN C C 174.003 0.300 1 152 21 21 GLN CA C 53.772 0.300 1 153 21 21 GLN CB C 32.069 0.300 1 154 21 21 GLN CG C 33.737 0.300 1 155 21 21 GLN N N 120.372 0.300 1 156 21 21 GLN NE2 N 112.374 0.300 1 157 22 22 TRP H H 8.743 0.030 1 158 22 22 TRP HA H 4.690 0.030 1 159 22 22 TRP HB2 H 3.026 0.030 2 160 22 22 TRP HB3 H 2.813 0.030 2 161 22 22 TRP HD1 H 7.124 0.030 1 162 22 22 TRP HE1 H 9.506 0.030 1 163 22 22 TRP HE3 H 6.851 0.030 1 164 22 22 TRP HH2 H 6.552 0.030 1 165 22 22 TRP HZ2 H 6.742 0.030 1 166 22 22 TRP HZ3 H 6.485 0.030 1 167 22 22 TRP C C 176.863 0.300 1 168 22 22 TRP CA C 57.062 0.300 1 169 22 22 TRP CB C 29.323 0.300 1 170 22 22 TRP CD1 C 127.012 0.300 1 171 22 22 TRP CE3 C 119.498 0.300 1 172 22 22 TRP CH2 C 122.873 0.300 1 173 22 22 TRP CZ2 C 113.515 0.300 1 174 22 22 TRP CZ3 C 122.142 0.300 1 175 22 22 TRP N N 124.919 0.300 1 176 22 22 TRP NE1 N 128.901 0.300 1 177 23 23 LYS H H 9.302 0.030 1 178 23 23 LYS HA H 4.798 0.030 1 179 23 23 LYS HB2 H 1.672 0.030 2 180 23 23 LYS HB3 H 1.762 0.030 2 181 23 23 LYS HD2 H 1.747 0.030 2 182 23 23 LYS HD3 H 1.594 0.030 2 183 23 23 LYS HE2 H 2.897 0.030 2 184 23 23 LYS HE3 H 3.015 0.030 2 185 23 23 LYS HG2 H 1.394 0.030 2 186 23 23 LYS C C 176.050 0.300 1 187 23 23 LYS CA C 54.106 0.300 1 188 23 23 LYS CB C 35.583 0.300 1 189 23 23 LYS CD C 28.802 0.300 1 190 23 23 LYS CE C 42.620 0.300 1 191 23 23 LYS CG C 24.772 0.300 1 192 23 23 LYS N N 124.474 0.300 1 193 24 24 SER H H 8.740 0.030 1 194 24 24 SER HA H 5.035 0.030 1 195 24 24 SER HB2 H 3.690 0.030 2 196 24 24 SER HB3 H 3.583 0.030 2 197 24 24 SER C C 175.905 0.300 1 198 24 24 SER CA C 58.857 0.300 1 199 24 24 SER CB C 63.489 0.300 1 200 24 24 SER N N 118.568 0.300 1 201 25 25 ARG H H 9.302 0.030 1 202 25 25 ARG HA H 4.946 0.030 1 203 25 25 ARG HB2 H 2.042 0.030 2 204 25 25 ARG HB3 H 1.783 0.030 2 205 25 25 ARG HD2 H 2.780 0.030 2 206 25 25 ARG HD3 H 3.328 0.030 2 207 25 25 ARG HG2 H 1.583 0.030 2 208 25 25 ARG HG3 H 1.633 0.030 2 209 25 25 ARG C C 173.724 0.300 1 210 25 25 ARG CA C 54.440 0.300 1 211 25 25 ARG CB C 34.825 0.300 1 212 25 25 ARG CD C 43.525 0.300 1 213 25 25 ARG CG C 29.353 0.300 1 214 25 25 ARG N N 126.895 0.300 1 215 26 26 TRP H H 8.668 0.030 1 216 26 26 TRP HA H 4.780 0.030 1 217 26 26 TRP HB2 H 3.043 0.030 2 218 26 26 TRP HB3 H 2.783 0.030 2 219 26 26 TRP HD1 H 6.864 0.030 1 220 26 26 TRP HE1 H 10.084 0.030 1 221 26 26 TRP HE3 H 7.013 0.030 1 222 26 26 TRP HH2 H 7.153 0.030 1 223 26 26 TRP HZ2 H 7.374 0.030 1 224 26 26 TRP HZ3 H 6.983 0.030 1 225 26 26 TRP C C 175.796 0.300 1 226 26 26 TRP CA C 57.555 0.300 1 227 26 26 TRP CB C 29.833 0.300 1 228 26 26 TRP CD1 C 126.068 0.300 1 229 26 26 TRP CE3 C 122.307 0.300 1 230 26 26 TRP CH2 C 124.309 0.300 1 231 26 26 TRP CZ2 C 114.569 0.300 1 232 26 26 TRP CZ3 C 122.307 0.300 1 233 26 26 TRP N N 123.493 0.300 1 234 26 26 TRP NE1 N 128.193 0.300 1 235 27 27 CYS H H 8.884 0.030 1 236 27 27 CYS HA H 5.668 0.030 1 237 27 27 CYS HB2 H 2.523 0.030 1 238 27 27 CYS HB3 H 2.523 0.030 1 239 27 27 CYS C C 174.560 0.300 1 240 27 27 CYS CA C 58.184 0.300 1 241 27 27 CYS CB C 31.516 0.300 1 242 27 27 CYS N N 124.947 0.300 1 243 28 28 SER H H 8.566 0.030 1 244 28 28 SER HA H 5.240 0.030 1 245 28 28 SER HB2 H 3.800 0.030 2 246 28 28 SER HB3 H 3.712 0.030 2 247 28 28 SER C C 173.106 0.300 1 248 28 28 SER CA C 57.027 0.300 1 249 28 28 SER CB C 66.738 0.300 1 250 28 28 SER N N 114.751 0.300 1 251 29 29 VAL H H 8.843 0.030 1 252 29 29 VAL HA H 5.302 0.030 1 253 29 29 VAL HB H 1.933 0.030 1 254 29 29 VAL HG1 H 0.792 0.030 1 255 29 29 VAL HG2 H 0.985 0.030 1 256 29 29 VAL C C 175.905 0.300 1 257 29 29 VAL CA C 61.233 0.300 1 258 29 29 VAL CB C 32.832 0.300 1 259 29 29 VAL CG1 C 21.482 0.300 2 260 29 29 VAL CG2 C 23.265 0.300 2 261 29 29 VAL N N 125.688 0.300 1 262 30 30 ARG H H 8.964 0.030 1 263 30 30 ARG HA H 4.620 0.030 1 264 30 30 ARG HB2 H 1.753 0.030 2 265 30 30 ARG HD2 H 3.074 0.030 1 266 30 30 ARG HD3 H 3.074 0.030 1 267 30 30 ARG HG2 H 1.502 0.030 2 268 30 30 ARG HG3 H 1.559 0.030 2 269 30 30 ARG C C 176.160 0.300 1 270 30 30 ARG CA C 55.901 0.300 1 271 30 30 ARG CB C 33.198 0.300 1 272 30 30 ARG CD C 43.337 0.300 1 273 30 30 ARG CG C 26.805 0.300 1 274 30 30 ARG N N 125.513 0.300 1 275 31 31 ASP H H 9.773 0.030 1 276 31 31 ASP HA H 4.451 0.030 1 277 31 31 ASP HB2 H 3.001 0.030 2 278 31 31 ASP HB3 H 2.845 0.030 2 279 31 31 ASP C C 177.008 0.300 1 280 31 31 ASP CA C 55.936 0.300 1 281 31 31 ASP CB C 39.659 0.300 1 282 31 31 ASP N N 127.085 0.300 1 283 32 32 ASN H H 9.639 0.030 1 284 32 32 ASN HA H 4.535 0.030 1 285 32 32 ASN HB2 H 3.105 0.030 2 286 32 32 ASN HB3 H 2.993 0.030 2 287 32 32 ASN HD21 H 8.005 0.030 2 288 32 32 ASN HD22 H 6.840 0.030 2 289 32 32 ASN C C 172.766 0.300 1 290 32 32 ASN CA C 55.549 0.300 1 291 32 32 ASN CB C 38.238 0.300 1 292 32 32 ASN N N 112.101 0.300 1 293 32 32 ASN ND2 N 111.447 0.300 1 294 33 33 HIS H H 8.292 0.030 1 295 33 33 HIS HA H 5.368 0.030 1 296 33 33 HIS HB2 H 2.992 0.030 2 297 33 33 HIS HB3 H 2.336 0.030 2 298 33 33 HIS HD2 H 6.288 0.030 1 299 33 33 HIS HE1 H 7.969 0.030 1 300 33 33 HIS C C 172.718 0.300 1 301 33 33 HIS CA C 55.303 0.300 1 302 33 33 HIS CB C 32.851 0.300 1 303 33 33 HIS CD2 C 125.372 0.300 1 304 33 33 HIS CE1 C 139.338 0.300 1 305 33 33 HIS N N 116.294 0.300 1 306 34 34 LEU H H 8.987 0.030 1 307 34 34 LEU HA H 4.784 0.030 1 308 34 34 LEU HB2 H 1.724 0.030 2 309 34 34 LEU HB3 H 1.123 0.030 2 310 34 34 LEU HD1 H 0.768 0.030 1 311 34 34 LEU HD2 H 0.600 0.030 1 312 34 34 LEU C C 173.240 0.300 1 313 34 34 LEU CA C 53.719 0.300 1 314 34 34 LEU CB C 45.147 0.300 1 315 34 34 LEU CD1 C 24.278 0.300 2 316 34 34 LEU CD2 C 27.194 0.300 2 317 34 34 LEU CG C 27.157 0.300 1 318 34 34 LEU N N 122.961 0.300 1 319 35 35 HIS H H 9.169 0.030 1 320 35 35 HIS HA H 4.713 0.030 1 321 35 35 HIS HB2 H 3.040 0.030 2 322 35 35 HIS HB3 H 2.802 0.030 2 323 35 35 HIS HD2 H 6.989 0.030 1 324 35 35 HIS HE1 H 7.634 0.030 1 325 35 35 HIS C C 174.778 0.300 1 326 35 35 HIS CA C 55.284 0.300 1 327 35 35 HIS CB C 34.455 0.300 1 328 35 35 HIS CD2 C 118.046 0.300 1 329 35 35 HIS CE1 C 137.555 0.300 1 330 35 35 HIS N N 125.201 0.300 1 331 36 36 PHE H H 9.522 0.030 1 332 36 36 PHE HA H 5.014 0.030 1 333 36 36 PHE HB2 H 2.935 0.030 2 334 36 36 PHE HB3 H 2.471 0.030 2 335 36 36 PHE HD1 H 6.932 0.030 1 336 36 36 PHE HD2 H 6.932 0.030 1 337 36 36 PHE HE1 H 7.053 0.030 1 338 36 36 PHE HE2 H 7.053 0.030 1 339 36 36 PHE HZ H 6.820 0.030 1 340 36 36 PHE C C 174.911 0.300 1 341 36 36 PHE CA C 56.217 0.300 1 342 36 36 PHE CB C 43.666 0.300 1 343 36 36 PHE CD1 C 133.095 0.300 1 344 36 36 PHE CD2 C 133.095 0.300 1 345 36 36 PHE CE1 C 130.875 0.300 1 346 36 36 PHE CE2 C 130.875 0.300 1 347 36 36 PHE CZ C 128.246 0.300 1 348 36 36 PHE N N 118.294 0.300 1 349 37 37 TYR H H 9.783 0.030 1 350 37 37 TYR HA H 5.453 0.030 1 351 37 37 TYR HB2 H 3.453 0.030 1 352 37 37 TYR HB3 H 3.453 0.030 1 353 37 37 TYR HD1 H 7.112 0.030 1 354 37 37 TYR HD2 H 7.112 0.030 1 355 37 37 TYR HE1 H 6.753 0.030 1 356 37 37 TYR HE2 H 6.753 0.030 1 357 37 37 TYR C C 176.475 0.300 1 358 37 37 TYR CA C 57.185 0.300 1 359 37 37 TYR CB C 41.569 0.300 1 360 37 37 TYR CD1 C 133.380 0.300 1 361 37 37 TYR CD2 C 133.380 0.300 1 362 37 37 TYR CE1 C 118.768 0.300 1 363 37 37 TYR CE2 C 118.768 0.300 1 364 37 37 TYR N N 121.241 0.300 1 365 38 38 GLN H H 9.233 0.030 1 366 38 38 GLN HA H 4.480 0.030 1 367 38 38 GLN HB2 H 2.355 0.030 2 368 38 38 GLN HB3 H 2.121 0.030 2 369 38 38 GLN HE21 H 7.474 0.030 2 370 38 38 GLN HE22 H 6.972 0.030 2 371 38 38 GLN HG2 H 2.440 0.030 1 372 38 38 GLN HG3 H 2.440 0.030 1 373 38 38 GLN C C 175.408 0.300 1 374 38 38 GLN CA C 57.977 0.300 1 375 38 38 GLN CB C 29.825 0.300 1 376 38 38 GLN CG C 34.148 0.300 1 377 38 38 GLN N N 119.348 0.300 1 378 38 38 GLN NE2 N 111.286 0.300 1 379 39 39 ASP H H 8.674 0.030 1 380 39 39 ASP HA H 4.849 0.030 1 381 39 39 ASP HB2 H 2.832 0.030 1 382 39 39 ASP HB3 H 2.832 0.030 1 383 39 39 ASP CA C 52.402 0.300 1 384 39 39 ASP CB C 43.525 0.300 1 385 40 40 ARG H H 7.823 0.030 1 386 40 40 ARG HA H 2.342 0.030 1 387 40 40 ARG HB2 H 0.803 0.030 2 388 40 40 ARG HB3 H 0.770 0.030 2 389 40 40 ARG HD2 H 2.873 0.030 2 390 40 40 ARG HD3 H 2.782 0.030 2 391 40 40 ARG HG2 H 0.980 0.030 2 392 40 40 ARG HG3 H 0.603 0.030 2 393 40 40 ARG CA C 57.183 0.300 1 394 40 40 ARG CB C 29.300 0.300 1 395 40 40 ARG CD C 43.523 0.300 1 396 40 40 ARG CG C 25.943 0.300 1 397 40 40 ARG N N 119.412 0.300 1 398 41 41 ASN H H 7.601 0.030 1 399 41 41 ASN HA H 4.408 0.030 1 400 41 41 ASN HB2 H 2.763 0.030 2 401 41 41 ASN HB3 H 2.676 0.030 2 402 41 41 ASN HD21 H 6.873 0.030 2 403 41 41 ASN HD22 H 7.573 0.030 2 404 41 41 ASN C C 174.584 0.300 1 405 41 41 ASN CA C 53.396 0.300 1 406 41 41 ASN CB C 37.847 0.300 1 407 41 41 ASN N N 114.895 0.300 1 408 41 41 ASN ND2 N 113.063 0.300 1 409 42 42 ARG H H 7.927 0.030 1 410 42 42 ARG HA H 3.271 0.030 1 411 42 42 ARG HB2 H 1.595 0.030 2 412 42 42 ARG HD2 H 2.771 0.030 2 413 42 42 ARG HD3 H 2.944 0.030 2 414 42 42 ARG HG2 H 0.703 0.030 2 415 42 42 ARG HG3 H 1.248 0.030 2 416 42 42 ARG CA C 57.164 0.300 1 417 42 42 ARG CD C 43.525 0.300 1 418 42 42 ARG CG C 27.163 0.300 1 419 42 42 ARG N N 115.263 0.300 1 420 43 43 SER H H 9.112 0.030 1 421 43 43 SER HA H 4.444 0.030 1 422 43 43 SER HB2 H 3.719 0.030 2 423 43 43 SER HB3 H 3.912 0.030 2 424 43 43 SER CA C 59.742 0.300 1 425 43 43 SER CB C 64.693 0.300 1 426 43 43 SER N N 115.094 0.300 1 427 44 44 LYS H H 8.543 0.030 1 428 44 44 LYS HA H 4.784 0.030 1 429 44 44 LYS HB2 H 1.761 0.030 2 430 44 44 LYS HB3 H 1.823 0.030 2 431 44 44 LYS HE2 H 3.019 0.030 1 432 44 44 LYS HE3 H 3.019 0.030 1 433 44 44 LYS HG2 H 1.434 0.030 2 434 44 44 LYS C C 175.723 0.300 1 435 44 44 LYS CA C 55.091 0.300 1 436 44 44 LYS CB C 34.642 0.300 1 437 44 44 LYS CD C 29.049 0.300 1 438 44 44 LYS CE C 42.209 0.300 1 439 44 44 LYS CG C 24.807 0.300 1 440 45 45 VAL H H 8.965 0.030 1 441 45 45 VAL HA H 4.043 0.030 1 442 45 45 VAL HB H 2.080 0.030 1 443 45 45 VAL HG1 H 0.987 0.030 1 444 45 45 VAL HG2 H 1.117 0.030 1 445 45 45 VAL C C 176.656 0.300 1 446 45 45 VAL CA C 63.883 0.300 1 447 45 45 VAL CB C 32.621 0.300 1 448 45 45 VAL CG1 C 21.802 0.300 2 449 45 45 VAL CG2 C 22.341 0.300 2 450 45 45 VAL N N 127.663 0.300 1 451 46 46 ALA H H 9.214 0.030 1 452 46 46 ALA HA H 4.523 0.030 1 453 46 46 ALA HB H 1.215 0.030 1 454 46 46 ALA C C 176.560 0.300 1 455 46 46 ALA CA C 52.610 0.300 1 456 46 46 ALA CB C 20.929 0.300 1 457 46 46 ALA N N 129.165 0.300 1 458 47 47 GLN H H 7.504 0.030 1 459 47 47 GLN HA H 4.494 0.030 1 460 47 47 GLN HB2 H 2.032 0.030 2 461 47 47 GLN HB3 H 1.856 0.030 2 462 47 47 GLN HE21 H 7.000 0.030 2 463 47 47 GLN HE22 H 5.844 0.030 2 464 47 47 GLN HG2 H 1.667 0.030 2 465 47 47 GLN HG3 H 1.840 0.030 2 466 47 47 GLN C C 173.057 0.300 1 467 47 47 GLN CA C 54.458 0.300 1 468 47 47 GLN CB C 30.918 0.300 1 469 47 47 GLN CG C 33.490 0.300 1 470 47 47 GLN N N 112.591 0.300 1 471 47 47 GLN NE2 N 109.581 0.300 1 472 48 48 GLN H H 8.541 0.030 1 473 48 48 GLN HA H 4.420 0.030 1 474 48 48 GLN HB2 H 2.161 0.030 2 475 48 48 GLN HB3 H 2.061 0.030 2 476 48 48 GLN HE21 H 7.676 0.030 2 477 48 48 GLN HE22 H 6.939 0.030 2 478 48 48 GLN HG2 H 2.535 0.030 1 479 48 48 GLN HG3 H 2.535 0.030 1 480 48 48 GLN C C 172.864 0.300 1 481 48 48 GLN CA C 54.774 0.300 1 482 48 48 GLN CB C 28.017 0.300 1 483 48 48 GLN CG C 33.631 0.300 1 484 48 48 GLN N N 120.933 0.300 1 485 48 48 GLN NE2 N 112.746 0.300 1 486 49 49 PRO HA H 4.963 0.030 1 487 49 49 PRO HB2 H 1.765 0.030 2 488 49 49 PRO HB3 H 1.265 0.030 2 489 49 49 PRO HD2 H 3.757 0.030 2 490 49 49 PRO HD3 H 3.706 0.030 2 491 49 49 PRO HG2 H 1.902 0.030 2 492 49 49 PRO HG3 H 2.043 0.030 2 493 49 49 PRO C C 177.105 0.300 1 494 49 49 PRO CA C 63.010 0.300 1 495 49 49 PRO CB C 32.625 0.300 1 496 49 49 PRO CD C 50.381 0.300 1 497 49 49 PRO CG C 27.311 0.300 1 498 50 50 LEU H H 8.937 0.030 1 499 50 50 LEU HA H 4.742 0.030 1 500 50 50 LEU HB2 H 1.623 0.030 2 501 50 50 LEU HB3 H 1.703 0.030 2 502 50 50 LEU HD1 H 0.953 0.030 1 503 50 50 LEU HD2 H 0.895 0.030 1 504 50 50 LEU HG H 1.796 0.030 1 505 50 50 LEU C C 176.147 0.300 1 506 50 50 LEU CA C 53.120 0.300 1 507 50 50 LEU CB C 45.352 0.300 1 508 50 50 LEU CD1 C 26.251 0.300 2 509 50 50 LEU CD2 C 25.353 0.300 2 510 50 50 LEU CG C 26.746 0.300 1 511 50 50 LEU N N 121.454 0.300 1 512 51 51 SER H H 8.771 0.030 1 513 51 51 SER HA H 3.434 0.030 1 514 51 51 SER HB2 H 3.659 0.030 1 515 51 51 SER HB3 H 3.659 0.030 1 516 51 51 SER C C 175.081 0.300 1 517 51 51 SER CA C 57.936 0.300 1 518 51 51 SER CB C 62.378 0.300 1 519 51 51 SER N N 120.178 0.300 1 520 52 52 LEU H H 8.045 0.030 1 521 52 52 LEU HA H 4.443 0.030 1 522 52 52 LEU HB2 H 1.412 0.030 1 523 52 52 LEU HB3 H 1.412 0.030 1 524 52 52 LEU HD1 H 0.722 0.030 1 525 52 52 LEU HD2 H 0.792 0.030 1 526 52 52 LEU HG H 1.613 0.030 1 527 52 52 LEU C C 177.916 0.300 1 528 52 52 LEU CA C 55.105 0.300 1 529 52 52 LEU CB C 42.762 0.300 1 530 52 52 LEU CD1 C 27.210 0.300 2 531 52 52 LEU CD2 C 22.709 0.300 2 532 52 52 LEU CG C 26.993 0.300 1 533 52 52 LEU N N 125.348 0.300 1 534 53 53 VAL H H 7.418 0.030 1 535 53 53 VAL HA H 3.841 0.030 1 536 53 53 VAL HB H 1.947 0.030 1 537 53 53 VAL HG1 H 1.043 0.030 1 538 53 53 VAL HG2 H 0.954 0.030 1 539 53 53 VAL C C 178.123 0.300 1 540 53 53 VAL CA C 64.893 0.300 1 541 53 53 VAL CB C 30.973 0.300 1 542 53 53 VAL CG1 C 21.811 0.300 2 543 53 53 VAL CG2 C 20.575 0.300 2 544 53 53 VAL N N 119.590 0.300 1 545 54 54 GLY H H 9.187 0.030 1 546 54 54 GLY HA2 H 4.292 0.030 2 547 54 54 GLY HA3 H 3.934 0.030 2 548 54 54 GLY C C 175.275 0.300 1 549 54 54 GLY CA C 45.906 0.300 1 550 54 54 GLY N N 115.764 0.300 1 551 55 55 CYS H H 7.871 0.030 1 552 55 55 CYS HA H 5.052 0.030 1 553 55 55 CYS HB2 H 3.020 0.030 2 554 55 55 CYS HB3 H 2.867 0.030 2 555 55 55 CYS C C 174.112 0.300 1 556 55 55 CYS CA C 60.352 0.300 1 557 55 55 CYS CB C 28.779 0.300 1 558 55 55 CYS N N 117.748 0.300 1 559 56 56 GLU H H 9.140 0.030 1 560 56 56 GLU HA H 4.672 0.030 1 561 56 56 GLU HB2 H 2.042 0.030 2 562 56 56 GLU HB3 H 1.882 0.030 2 563 56 56 GLU HG2 H 2.232 0.030 2 564 56 56 GLU C C 175.105 0.300 1 565 56 56 GLU CA C 55.179 0.300 1 566 56 56 GLU CB C 33.097 0.300 1 567 56 56 GLU CG C 36.784 0.300 1 568 56 56 GLU N N 120.179 0.300 1 569 57 57 VAL H H 8.385 0.030 1 570 57 57 VAL HA H 5.238 0.030 1 571 57 57 VAL HB H 2.033 0.030 1 572 57 57 VAL HG1 H 0.959 0.030 1 573 57 57 VAL HG2 H 0.931 0.030 1 574 57 57 VAL C C 175.238 0.300 1 575 57 57 VAL CA C 61.064 0.300 1 576 57 57 VAL CB C 33.429 0.300 1 577 57 57 VAL CG1 C 22.633 0.300 2 578 57 57 VAL CG2 C 20.914 0.300 2 579 57 57 VAL N N 122.535 0.300 1 580 58 58 VAL H H 8.884 0.030 1 581 58 58 VAL HA H 5.053 0.030 1 582 58 58 VAL HB H 2.131 0.030 1 583 58 58 VAL HG1 H 1.063 0.030 1 584 58 58 VAL HG2 H 0.944 0.030 1 585 58 58 VAL C C 174.027 0.300 1 586 58 58 VAL CA C 57.977 0.300 1 587 58 58 VAL CB C 35.583 0.300 1 588 58 58 VAL CG1 C 21.465 0.300 2 589 58 58 VAL CG2 C 20.047 0.300 2 590 58 58 VAL N N 122.081 0.300 1 591 59 59 PRO HA H 4.573 0.030 1 592 59 59 PRO HB2 H 2.524 0.030 2 593 59 59 PRO HB3 H 2.143 0.030 2 594 59 59 PRO HD2 H 3.983 0.030 2 595 59 59 PRO HD3 H 3.883 0.030 2 596 59 59 PRO HG2 H 2.329 0.030 2 597 59 59 PRO HG3 H 1.955 0.030 2 598 59 59 PRO C C 175.457 0.300 1 599 59 59 PRO CA C 63.643 0.300 1 600 59 59 PRO CB C 32.915 0.300 1 601 59 59 PRO CD C 51.398 0.300 1 602 59 59 PRO CG C 28.154 0.300 1 603 60 60 ASP H H 8.989 0.030 1 604 60 60 ASP HA H 5.179 0.030 1 605 60 60 ASP HB2 H 2.442 0.030 2 606 60 60 ASP HB3 H 2.343 0.030 2 607 60 60 ASP C C 172.742 0.300 1 608 60 60 ASP CA C 52.698 0.300 1 609 60 60 ASP CB C 43.314 0.300 1 610 60 60 ASP N N 122.718 0.300 1 611 61 61 PRO HA H 4.681 0.030 1 612 61 61 PRO HB2 H 1.892 0.030 2 613 61 61 PRO HB3 H 2.607 0.030 2 614 61 61 PRO HD2 H 3.614 0.030 2 615 61 61 PRO HD3 H 3.752 0.030 2 616 61 61 PRO HG2 H 2.112 0.030 1 617 61 61 PRO HG3 H 2.112 0.030 1 618 61 61 PRO C C 177.420 0.300 1 619 61 61 PRO CA C 63.594 0.300 1 620 61 61 PRO CB C 32.950 0.300 1 621 61 61 PRO CD C 50.274 0.300 1 622 61 61 PRO CG C 27.157 0.300 1 623 62 62 SER H H 7.803 0.030 1 624 62 62 SER HA H 4.797 0.030 1 625 62 62 SER HB2 H 3.932 0.030 2 626 62 62 SER HB3 H 4.123 0.030 2 627 62 62 SER C C 174.851 0.300 1 628 62 62 SER CA C 56.896 0.300 1 629 62 62 SER CB C 63.959 0.300 1 630 62 62 SER N N 115.582 0.300 1 631 63 63 PRO HA H 4.089 0.030 1 632 63 63 PRO HB2 H 2.322 0.030 2 633 63 63 PRO HB3 H 1.854 0.030 2 634 63 63 PRO HD2 H 3.743 0.030 2 635 63 63 PRO HD3 H 3.789 0.030 2 636 63 63 PRO HG2 H 2.153 0.030 2 637 63 63 PRO HG3 H 1.952 0.030 2 638 63 63 PRO C C 177.105 0.300 1 639 63 63 PRO CA C 66.024 0.300 1 640 63 63 PRO CB C 31.763 0.300 1 641 63 63 PRO CD C 50.374 0.300 1 642 63 63 PRO CG C 28.153 0.300 1 643 64 64 ASP H H 8.361 0.030 1 644 64 64 ASP HA H 4.290 0.030 1 645 64 64 ASP HB2 H 2.454 0.030 1 646 64 64 ASP HB3 H 2.454 0.030 1 647 64 64 ASP C C 174.802 0.300 1 648 64 64 ASP CA C 54.458 0.300 1 649 64 64 ASP CB C 40.481 0.300 1 650 64 64 ASP N N 111.867 0.300 1 651 65 65 HIS H H 7.781 0.030 1 652 65 65 HIS HA H 4.558 0.030 1 653 65 65 HIS HB2 H 2.913 0.030 2 654 65 65 HIS HB3 H 2.561 0.030 2 655 65 65 HIS HD2 H 7.035 0.030 1 656 65 65 HIS HE1 H 7.635 0.030 1 657 65 65 HIS C C 174.972 0.300 1 658 65 65 HIS CA C 54.370 0.300 1 659 65 65 HIS CB C 28.450 0.300 1 660 65 65 HIS CD2 C 120.147 0.300 1 661 65 65 HIS CE1 C 135.536 0.300 1 662 65 65 HIS N N 120.793 0.300 1 663 66 66 LEU H H 8.206 0.030 1 664 66 66 LEU HA H 3.893 0.030 1 665 66 66 LEU HB2 H 0.620 0.030 1 666 66 66 LEU HB3 H 0.620 0.030 1 667 66 66 LEU HD1 H 0.754 0.030 1 668 66 66 LEU HD2 H 0.660 0.030 1 669 66 66 LEU HG H 1.372 0.030 1 670 66 66 LEU C C 178.826 0.300 1 671 66 66 LEU CA C 57.857 0.300 1 672 66 66 LEU CB C 42.245 0.300 1 673 66 66 LEU CD1 C 25.104 0.300 2 674 66 66 LEU CD2 C 23.546 0.300 2 675 66 66 LEU CG C 26.674 0.300 1 676 66 66 LEU N N 124.390 0.300 1 677 67 67 TYR H H 8.612 0.030 1 678 67 67 TYR HA H 5.417 0.030 1 679 67 67 TYR HB2 H 3.193 0.030 2 680 67 67 TYR HB3 H 2.937 0.030 2 681 67 67 TYR HD1 H 6.913 0.030 1 682 67 67 TYR HD2 H 6.913 0.030 1 683 67 67 TYR HE1 H 6.803 0.030 1 684 67 67 TYR HE2 H 6.803 0.030 1 685 67 67 TYR C C 176.403 0.300 1 686 67 67 TYR CA C 55.320 0.300 1 687 67 67 TYR CB C 35.524 0.300 1 688 67 67 TYR CD1 C 132.321 0.300 1 689 67 67 TYR CD2 C 132.321 0.300 1 690 67 67 TYR CE1 C 118.155 0.300 1 691 67 67 TYR CE2 C 118.155 0.300 1 692 67 67 TYR N N 118.042 0.300 1 693 68 68 SER H H 6.652 0.030 1 694 68 68 SER HA H 5.742 0.030 1 695 68 68 SER HB2 H 3.891 0.030 1 696 68 68 SER HB3 H 3.891 0.030 1 697 68 68 SER C C 174.827 0.300 1 698 68 68 SER CA C 56.147 0.300 1 699 68 68 SER CB C 65.504 0.300 1 700 68 68 SER N N 111.076 0.300 1 701 69 69 PHE H H 9.089 0.030 1 702 69 69 PHE HA H 5.212 0.030 1 703 69 69 PHE HB2 H 3.175 0.030 2 704 69 69 PHE HB3 H 2.752 0.030 2 705 69 69 PHE HD1 H 6.982 0.030 1 706 69 69 PHE HD2 H 6.982 0.030 1 707 69 69 PHE HE1 H 6.998 0.030 1 708 69 69 PHE HE2 H 6.998 0.030 1 709 69 69 PHE HZ H 6.783 0.030 1 710 69 69 PHE C C 171.676 0.300 1 711 69 69 PHE CA C 55.918 0.300 1 712 69 69 PHE CB C 41.034 0.300 1 713 69 69 PHE CD1 C 133.081 0.300 1 714 69 69 PHE CD2 C 133.081 0.300 1 715 69 69 PHE CE1 C 130.287 0.300 1 716 69 69 PHE CE2 C 130.287 0.300 1 717 69 69 PHE CZ C 129.270 0.300 1 718 69 69 PHE N N 121.539 0.300 1 719 70 70 ARG H H 9.299 0.030 1 720 70 70 ARG HA H 5.333 0.030 1 721 70 70 ARG HB2 H 1.813 0.030 2 722 70 70 ARG HB3 H 1.754 0.030 2 723 70 70 ARG HD2 H 3.123 0.030 2 724 70 70 ARG HD3 H 3.273 0.030 2 725 70 70 ARG HE H 7.533 0.030 1 726 70 70 ARG HG2 H 1.584 0.030 2 727 70 70 ARG C C 174.197 0.300 1 728 70 70 ARG CA C 54.198 0.300 1 729 70 70 ARG CB C 35.236 0.300 1 730 70 70 ARG CD C 44.430 0.300 1 731 70 70 ARG CG C 27.404 0.300 1 732 70 70 ARG N N 117.458 0.300 1 733 70 70 ARG NE N 84.124 0.300 1 734 71 71 ILE H H 8.505 0.030 1 735 71 71 ILE HA H 4.974 0.030 1 736 71 71 ILE HB H 1.675 0.030 1 737 71 71 ILE HD1 H 0.850 0.030 1 738 71 71 ILE HG12 H 1.092 0.030 2 739 71 71 ILE HG13 H 1.642 0.030 2 740 71 71 ILE HG2 H 0.983 0.030 1 741 71 71 ILE C C 174.996 0.300 1 742 71 71 ILE CA C 60.622 0.300 1 743 71 71 ILE CB C 39.636 0.300 1 744 71 71 ILE CD1 C 14.985 0.300 1 745 71 71 ILE CG1 C 27.433 0.300 1 746 71 71 ILE CG2 C 18.192 0.300 1 747 71 71 ILE N N 119.757 0.300 1 748 72 72 LEU H H 9.488 0.030 1 749 72 72 LEU HA H 5.473 0.030 1 750 72 72 LEU HB2 H 1.782 0.030 2 751 72 72 LEU HB3 H 1.322 0.030 2 752 72 72 LEU HD1 H 0.810 0.030 1 753 72 72 LEU HD2 H 0.683 0.030 1 754 72 72 LEU HG H 1.443 0.030 1 755 72 72 LEU C C 176.172 0.300 1 756 72 72 LEU CA C 53.507 0.300 1 757 72 72 LEU CB C 46.393 0.300 1 758 72 72 LEU CD1 C 25.960 0.300 2 759 72 72 LEU CD2 C 24.278 0.300 2 760 72 72 LEU CG C 27.913 0.300 1 761 72 72 LEU N N 128.277 0.300 1 762 73 73 HIS H H 9.087 0.030 1 763 73 73 HIS HA H 4.888 0.030 1 764 73 73 HIS HB2 H 3.283 0.030 2 765 73 73 HIS HB3 H 3.060 0.030 2 766 73 73 HIS HD2 H 7.013 0.030 1 767 73 73 HIS HE1 H 7.863 0.030 1 768 73 73 HIS C C 175.118 0.300 1 769 73 73 HIS CA C 56.675 0.300 1 770 73 73 HIS CB C 32.933 0.300 1 771 73 73 HIS CD2 C 122.293 0.300 1 772 73 73 HIS CE1 C 137.978 0.300 1 773 73 73 HIS N N 119.084 0.300 1 774 74 74 LYS H H 9.551 0.030 1 775 74 74 LYS HA H 3.763 0.030 1 776 74 74 LYS HB2 H 1.840 0.030 2 777 74 74 LYS HB3 H 1.673 0.030 2 778 74 74 LYS HD2 H 1.573 0.030 1 779 74 74 LYS HD3 H 1.573 0.030 1 780 74 74 LYS HE2 H 2.931 0.030 1 781 74 74 LYS HE3 H 2.931 0.030 1 782 74 74 LYS HG2 H 0.810 0.030 2 783 74 74 LYS HG3 H 0.980 0.030 2 784 74 74 LYS C C 176.851 0.300 1 785 74 74 LYS CA C 56.969 0.300 1 786 74 74 LYS CB C 29.766 0.300 1 787 74 74 LYS CD C 29.153 0.300 1 788 74 74 LYS CE C 42.291 0.300 1 789 74 74 LYS CG C 24.690 0.300 1 790 74 74 LYS N N 128.764 0.300 1 791 75 75 GLY H H 8.877 0.030 1 792 75 75 GLY HA2 H 3.523 0.030 2 793 75 75 GLY HA3 H 4.213 0.030 2 794 75 75 GLY C C 173.566 0.300 1 795 75 75 GLY CA C 45.346 0.300 1 796 75 75 GLY N N 104.552 0.300 1 797 76 76 GLU H H 7.922 0.030 1 798 76 76 GLU HA H 4.491 0.030 1 799 76 76 GLU HB2 H 2.036 0.030 2 800 76 76 GLU HB3 H 2.133 0.030 2 801 76 76 GLU HG2 H 2.295 0.030 2 802 76 76 GLU HG3 H 2.141 0.030 2 803 76 76 GLU C C 175.651 0.300 1 804 76 76 GLU CA C 54.721 0.300 1 805 76 76 GLU CB C 31.187 0.300 1 806 76 76 GLU CG C 35.793 0.300 1 807 76 76 GLU N N 121.492 0.300 1 808 77 77 GLU H H 8.925 0.030 1 809 77 77 GLU HA H 4.309 0.030 1 810 77 77 GLU HB2 H 1.948 0.030 2 811 77 77 GLU HG2 H 1.815 0.030 2 812 77 77 GLU HG3 H 1.930 0.030 2 813 77 77 GLU C C 175.857 0.300 1 814 77 77 GLU CA C 57.412 0.300 1 815 77 77 GLU CB C 31.146 0.300 1 816 77 77 GLU CG C 37.902 0.300 1 817 77 77 GLU N N 125.541 0.300 1 818 78 78 LEU H H 9.475 0.030 1 819 78 78 LEU HA H 4.513 0.030 1 820 78 78 LEU HB2 H 1.569 0.030 1 821 78 78 LEU HB3 H 1.569 0.030 1 822 78 78 LEU HD1 H 0.983 0.030 1 823 78 78 LEU HD2 H 0.877 0.030 1 824 78 78 LEU HG H 1.776 0.030 1 825 78 78 LEU C C 177.541 0.300 1 826 78 78 LEU CA C 55.443 0.300 1 827 78 78 LEU CB C 43.776 0.300 1 828 78 78 LEU CD1 C 26.783 0.300 2 829 78 78 LEU CD2 C 22.210 0.300 2 830 78 78 LEU CG C 26.953 0.300 1 831 78 78 LEU N N 128.715 0.300 1 832 79 79 ALA H H 7.550 0.030 1 833 79 79 ALA HA H 4.503 0.030 1 834 79 79 ALA HB H 1.232 0.030 1 835 79 79 ALA C C 174.342 0.300 1 836 79 79 ALA CA C 51.906 0.300 1 837 79 79 ALA CB C 22.017 0.300 1 838 79 79 ALA N N 116.317 0.300 1 839 80 80 LYS H H 8.743 0.030 1 840 80 80 LYS HA H 4.725 0.030 1 841 80 80 LYS HB2 H 1.571 0.030 2 842 80 80 LYS HB3 H 1.522 0.030 2 843 80 80 LYS HD2 H 1.603 0.030 1 844 80 80 LYS HD3 H 1.603 0.030 1 845 80 80 LYS HE2 H 2.913 0.030 2 846 80 80 LYS HE3 H 2.973 0.030 2 847 80 80 LYS HG2 H 1.243 0.030 1 848 80 80 LYS HG3 H 1.243 0.030 1 849 80 80 LYS C C 172.973 0.300 1 850 80 80 LYS CA C 56.604 0.300 1 851 80 80 LYS CB C 34.331 0.300 1 852 80 80 LYS CD C 29.542 0.300 1 853 80 80 LYS CE C 42.291 0.300 1 854 80 80 LYS CG C 25.430 0.300 1 855 80 80 LYS N N 123.623 0.300 1 856 81 81 LEU H H 8.504 0.030 1 857 81 81 LEU HA H 5.531 0.030 1 858 81 81 LEU HB2 H 1.023 0.030 2 859 81 81 LEU HB3 H 0.233 0.030 2 860 81 81 LEU HD1 H 0.771 0.030 1 861 81 81 LEU HD2 H 0.613 0.030 1 862 81 81 LEU HG H 1.353 0.030 1 863 81 81 LEU C C 176.366 0.300 1 864 81 81 LEU CA C 53.665 0.300 1 865 81 81 LEU CB C 45.969 0.300 1 866 81 81 LEU CD1 C 27.037 0.300 2 867 81 81 LEU CD2 C 26.283 0.300 2 868 81 81 LEU CG C 28.160 0.300 1 869 81 81 LEU N N 124.594 0.300 1 870 82 82 GLU H H 9.018 0.030 1 871 82 82 GLU HA H 4.826 0.030 1 872 82 82 GLU HB2 H 1.534 0.030 2 873 82 82 GLU HB3 H 1.615 0.030 2 874 82 82 GLU HG2 H 1.812 0.030 2 875 82 82 GLU HG3 H 2.243 0.030 2 876 82 82 GLU C C 174.439 0.300 1 877 82 82 GLU CA C 56.376 0.300 1 878 82 82 GLU CB C 32.852 0.300 1 879 82 82 GLU CG C 35.711 0.300 1 880 82 82 GLU N N 118.819 0.300 1 881 83 83 ALA H H 8.027 0.030 1 882 83 83 ALA HA H 4.980 0.030 1 883 83 83 ALA HB H 1.748 0.030 1 884 83 83 ALA C C 176.439 0.300 1 885 83 83 ALA CA C 50.059 0.300 1 886 83 83 ALA CB C 21.702 0.300 1 887 83 83 ALA N N 127.765 0.300 1 888 84 84 LYS H H 9.017 0.030 1 889 84 84 LYS HA H 4.432 0.030 1 890 84 84 LYS HB2 H 1.944 0.030 2 891 84 84 LYS HB3 H 1.893 0.030 2 892 84 84 LYS HD2 H 1.713 0.030 2 893 84 84 LYS HE2 H 2.991 0.030 1 894 84 84 LYS HE3 H 2.991 0.030 1 895 84 84 LYS HG2 H 1.478 0.030 2 896 84 84 LYS HG3 H 1.542 0.030 2 897 84 84 LYS C C 175.930 0.300 1 898 84 84 LYS CA C 56.956 0.300 1 899 84 84 LYS CB C 32.974 0.300 1 900 84 84 LYS CD C 28.802 0.300 1 901 84 84 LYS CE C 41.633 0.300 1 902 84 84 LYS CG C 24.324 0.300 1 903 84 84 LYS N N 115.456 0.300 1 904 85 85 SER H H 7.324 0.030 1 905 85 85 SER HA H 4.074 0.030 1 906 85 85 SER HB2 H 3.854 0.030 2 907 85 85 SER HB3 H 4.107 0.030 2 908 85 85 SER C C 173.421 0.300 1 909 85 85 SER CA C 56.038 0.300 1 910 85 85 SER CB C 66.506 0.300 1 911 85 85 SER N N 110.261 0.300 1 912 86 86 SER H H 8.610 0.030 1 913 86 86 SER HA H 3.648 0.030 1 914 86 86 SER HB2 H 3.838 0.030 2 915 86 86 SER HB3 H 3.923 0.030 2 916 86 86 SER C C 177.784 0.300 1 917 86 86 SER CA C 61.391 0.300 1 918 86 86 SER CB C 62.378 0.300 1 919 86 86 SER N N 117.136 0.300 1 920 87 87 GLU H H 8.890 0.030 1 921 87 87 GLU HA H 4.031 0.030 1 922 87 87 GLU HB2 H 2.064 0.030 2 923 87 87 GLU HB3 H 1.917 0.030 2 924 87 87 GLU HG2 H 2.343 0.030 2 925 87 87 GLU HG3 H 2.262 0.030 2 926 87 87 GLU C C 179.492 0.300 1 927 87 87 GLU CA C 59.983 0.300 1 928 87 87 GLU CB C 28.969 0.300 1 929 87 87 GLU CG C 36.698 0.300 1 930 87 87 GLU N N 123.189 0.300 1 931 88 88 GLU H H 8.015 0.030 1 932 88 88 GLU HA H 4.243 0.030 1 933 88 88 GLU HB2 H 2.304 0.030 2 934 88 88 GLU HB3 H 2.123 0.030 2 935 88 88 GLU HG2 H 2.511 0.030 2 936 88 88 GLU HG3 H 2.444 0.030 2 937 88 88 GLU C C 178.472 0.300 1 938 88 88 GLU CA C 59.642 0.300 1 939 88 88 GLU CB C 31.016 0.300 1 940 88 88 GLU CG C 38.353 0.300 1 941 88 88 GLU N N 121.015 0.300 1 942 89 89 MET H H 8.334 0.030 1 943 89 89 MET HA H 3.843 0.030 1 944 89 89 MET HB2 H 2.413 0.030 2 945 89 89 MET HE H 2.311 0.030 1 946 89 89 MET HG2 H 2.337 0.030 2 947 89 89 MET HG3 H 2.194 0.030 2 948 89 89 MET C C 177.396 0.300 1 949 89 89 MET CA C 60.458 0.300 1 950 89 89 MET CB C 32.481 0.300 1 951 89 89 MET CE C 18.035 0.300 1 952 89 89 MET CG C 32.710 0.300 1 953 89 89 MET N N 119.764 0.300 1 954 90 90 GLY H H 8.452 0.030 1 955 90 90 GLY HA2 H 4.008 0.030 2 956 90 90 GLY HA3 H 3.723 0.030 2 957 90 90 GLY C C 176.814 0.300 1 958 90 90 GLY CA C 47.489 0.300 1 959 90 90 GLY N N 105.180 0.300 1 960 91 91 HIS H H 7.919 0.030 1 961 91 91 HIS HA H 4.329 0.030 1 962 91 91 HIS HB2 H 3.291 0.030 2 963 91 91 HIS HB3 H 3.143 0.030 2 964 91 91 HIS HD2 H 6.206 0.030 1 965 91 91 HIS HE1 H 7.663 0.030 1 966 91 91 HIS C C 178.208 0.300 1 967 91 91 HIS CA C 59.367 0.300 1 968 91 91 HIS CB C 30.612 0.300 1 969 91 91 HIS CD2 C 118.717 0.300 1 970 91 91 HIS CE1 C 138.376 0.300 1 971 91 91 HIS N N 121.929 0.300 1 972 92 92 TRP H H 8.199 0.030 1 973 92 92 TRP HA H 3.829 0.030 1 974 92 92 TRP HB2 H 3.021 0.030 1 975 92 92 TRP HB3 H 3.021 0.030 1 976 92 92 TRP HD1 H 7.470 0.030 1 977 92 92 TRP HE1 H 10.358 0.030 1 978 92 92 TRP HE3 H 7.370 0.030 1 979 92 92 TRP HH2 H 6.732 0.030 1 980 92 92 TRP HZ2 H 7.283 0.030 1 981 92 92 TRP HZ3 H 6.734 0.030 1 982 92 92 TRP C C 178.257 0.300 1 983 92 92 TRP CA C 62.464 0.300 1 984 92 92 TRP CB C 29.190 0.300 1 985 92 92 TRP CD1 C 126.156 0.300 1 986 92 92 TRP CE3 C 118.837 0.300 1 987 92 92 TRP CH2 C 123.986 0.300 1 988 92 92 TRP CZ2 C 114.663 0.300 1 989 92 92 TRP CZ3 C 121.446 0.300 1 990 92 92 TRP N N 120.070 0.300 1 991 92 92 TRP NE1 N 127.993 0.300 1 992 93 93 LEU H H 8.740 0.030 1 993 93 93 LEU HA H 3.695 0.030 1 994 93 93 LEU HB2 H 1.683 0.030 2 995 93 93 LEU HB3 H 1.443 0.030 2 996 93 93 LEU HD1 H 0.679 0.030 1 997 93 93 LEU HD2 H 0.513 0.030 1 998 93 93 LEU HG H 1.503 0.030 1 999 93 93 LEU C C 179.105 0.300 1 1000 93 93 LEU CA C 59.076 0.300 1 1001 93 93 LEU CB C 40.993 0.300 1 1002 93 93 LEU CD1 C 25.381 0.300 2 1003 93 93 LEU CD2 C 23.472 0.300 2 1004 93 93 LEU CG C 27.438 0.300 1 1005 93 93 LEU N N 119.445 0.300 1 1006 94 94 GLY H H 7.616 0.030 1 1007 94 94 GLY HA2 H 3.852 0.030 2 1008 94 94 GLY HA3 H 3.759 0.030 2 1009 94 94 GLY C C 176.693 0.300 1 1010 94 94 GLY CA C 47.120 0.300 1 1011 94 94 GLY N N 102.951 0.300 1 1012 95 95 LEU H H 7.853 0.030 1 1013 95 95 LEU HA H 4.024 0.030 1 1014 95 95 LEU HB2 H 1.253 0.030 2 1015 95 95 LEU HB3 H 1.353 0.030 2 1016 95 95 LEU HD1 H 0.444 0.030 1 1017 95 95 LEU HD2 H 0.305 0.030 1 1018 95 95 LEU HG H 1.174 0.030 1 1019 95 95 LEU C C 179.589 0.300 1 1020 95 95 LEU CA C 57.678 0.300 1 1021 95 95 LEU CB C 42.533 0.300 1 1022 95 95 LEU CD1 C 23.517 0.300 2 1023 95 95 LEU CD2 C 24.675 0.300 2 1024 95 95 LEU CG C 26.664 0.300 1 1025 95 95 LEU N N 123.479 0.300 1 1026 96 96 LEU H H 8.649 0.030 1 1027 96 96 LEU HA H 3.971 0.030 1 1028 96 96 LEU HB2 H 2.037 0.030 2 1029 96 96 LEU HB3 H 1.383 0.030 2 1030 96 96 LEU HD1 H 1.093 0.030 1 1031 96 96 LEU HD2 H 1.021 0.030 1 1032 96 96 LEU HG H 2.373 0.030 1 1033 96 96 LEU C C 179.068 0.300 1 1034 96 96 LEU CA C 57.906 0.300 1 1035 96 96 LEU CB C 42.104 0.300 1 1036 96 96 LEU CD1 C 27.433 0.300 2 1037 96 96 LEU CD2 C 24.464 0.300 2 1038 96 96 LEU CG C 27.434 0.300 1 1039 96 96 LEU N N 118.046 0.300 1 1040 97 97 LEU H H 8.198 0.030 1 1041 97 97 LEU HA H 4.234 0.030 1 1042 97 97 LEU HB2 H 1.913 0.030 2 1043 97 97 LEU HB3 H 1.593 0.030 2 1044 97 97 LEU HD1 H 0.933 0.030 1 1045 97 97 LEU HD2 H 1.015 0.030 1 1046 97 97 LEU HG H 1.733 0.030 1 1047 97 97 LEU C C 180.177 0.300 1 1048 97 97 LEU CA C 57.361 0.300 1 1049 97 97 LEU CB C 41.611 0.300 1 1050 97 97 LEU CD1 C 25.101 0.300 2 1051 97 97 LEU CD2 C 23.780 0.300 2 1052 97 97 LEU CG C 27.418 0.300 1 1053 97 97 LEU N N 118.670 0.300 1 1054 98 98 SER H H 7.818 0.030 1 1055 98 98 SER HA H 4.328 0.030 1 1056 98 98 SER HB2 H 4.107 0.030 2 1057 98 98 SER HB3 H 4.076 0.030 2 1058 98 98 SER C C 176.863 0.300 1 1059 98 98 SER CA C 61.004 0.300 1 1060 98 98 SER CB C 63.322 0.300 1 1061 98 98 SER N N 115.679 0.300 1 1062 99 99 GLU H H 8.003 0.030 1 1063 99 99 GLU HA H 4.193 0.030 1 1064 99 99 GLU HB2 H 2.151 0.030 2 1065 99 99 GLU HB3 H 1.851 0.030 2 1066 99 99 GLU HG2 H 2.343 0.030 2 1067 99 99 GLU HG3 H 2.145 0.030 2 1068 99 99 GLU C C 177.226 0.300 1 1069 99 99 GLU CA C 57.449 0.300 1 1070 99 99 GLU CB C 30.260 0.300 1 1071 99 99 GLU CG C 35.793 0.300 1 1072 99 99 GLU N N 120.518 0.300 1 1073 100 100 SER H H 7.892 0.030 1 1074 100 100 SER HA H 4.582 0.030 1 1075 100 100 SER HB2 H 4.187 0.030 2 1076 100 100 SER HB3 H 3.994 0.030 2 1077 100 100 SER C C 175.881 0.300 1 1078 100 100 SER CA C 59.561 0.300 1 1079 100 100 SER CB C 64.188 0.300 1 1080 100 100 SER N N 113.686 0.300 1 1081 101 101 GLY H H 7.861 0.030 1 1082 101 101 GLY HA2 H 4.114 0.030 2 1083 101 101 GLY HA3 H 4.063 0.030 2 1084 101 101 GLY C C 174.076 0.300 1 1085 101 101 GLY CA C 45.501 0.300 1 1086 101 101 GLY N N 109.148 0.300 1 1087 102 102 SER H H 8.260 0.030 1 1088 102 102 SER HA H 4.543 0.030 1 1089 102 102 SER HB2 H 3.975 0.030 2 1090 102 102 SER HB3 H 3.915 0.030 2 1091 102 102 SER C C 174.851 0.300 1 1092 102 102 SER CA C 58.646 0.300 1 1093 102 102 SER CB C 64.211 0.300 1 1094 102 102 SER N N 116.298 0.300 1 1095 103 103 GLY H H 8.252 0.030 1 1096 103 103 GLY HA2 H 4.173 0.030 2 1097 103 103 GLY HA3 H 4.074 0.030 2 1098 103 103 GLY C C 171.773 0.300 1 1099 103 103 GLY CA C 44.777 0.300 1 1100 103 103 GLY N N 110.162 0.300 1 1101 104 104 PRO HA H 4.515 0.030 1 1102 104 104 PRO HB2 H 2.318 0.030 2 1103 104 104 PRO HB3 H 2.004 0.030 2 1104 104 104 PRO HD2 H 3.654 0.030 1 1105 104 104 PRO HD3 H 3.654 0.030 1 1106 104 104 PRO HG2 H 2.043 0.030 1 1107 104 104 PRO HG3 H 2.043 0.030 1 1108 104 104 PRO CA C 63.224 0.300 1 1109 104 104 PRO CB C 32.174 0.300 1 1110 104 104 PRO CD C 49.846 0.300 1 1111 104 104 PRO CG C 27.222 0.300 1 1112 105 105 SER H H 8.559 0.030 1 1113 105 105 SER CA C 60.998 0.300 1 1114 105 105 SER CB C 63.768 0.300 1 1115 105 105 SER N N 116.484 0.300 1 stop_ save_