data_10131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the N-terminal Pleckstrin Homology Domain Of TAPP2 from Mouse ; _BMRB_accession_number 10131 _BMRB_flat_file_name bmr10131.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-03 _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" 721 "13C chemical shifts" 537 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Pleckstrin Homology Domain Of TAPP2 from Mouse ; _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 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'pleckstrin homology domain-containing, family A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'pleckstrin homology domain-containing, family A' $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 'Pleckstrin Homology domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GSSGSSGMPYVDRQNRICGF LDIEDNENSGKFLRRYFILD TQANCLLWYMDNPQNLAVGA GAVGSLQLTYISKVSIATPK QKPKTPFCFVINALSQRYFL QANDQKDLKDWVEALNQASK SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 PRO 10 TYR 11 VAL 12 ASP 13 ARG 14 GLN 15 ASN 16 ARG 17 ILE 18 CYS 19 GLY 20 PHE 21 LEU 22 ASP 23 ILE 24 GLU 25 ASP 26 ASN 27 GLU 28 ASN 29 SER 30 GLY 31 LYS 32 PHE 33 LEU 34 ARG 35 ARG 36 TYR 37 PHE 38 ILE 39 LEU 40 ASP 41 THR 42 GLN 43 ALA 44 ASN 45 CYS 46 LEU 47 LEU 48 TRP 49 TYR 50 MET 51 ASP 52 ASN 53 PRO 54 GLN 55 ASN 56 LEU 57 ALA 58 VAL 59 GLY 60 ALA 61 GLY 62 ALA 63 VAL 64 GLY 65 SER 66 LEU 67 GLN 68 LEU 69 THR 70 TYR 71 ILE 72 SER 73 LYS 74 VAL 75 SER 76 ILE 77 ALA 78 THR 79 PRO 80 LYS 81 GLN 82 LYS 83 PRO 84 LYS 85 THR 86 PRO 87 PHE 88 CYS 89 PHE 90 VAL 91 ILE 92 ASN 93 ALA 94 LEU 95 SER 96 GLN 97 ARG 98 TYR 99 PHE 100 LEU 101 GLN 102 ALA 103 ASN 104 ASP 105 GLN 106 LYS 107 ASP 108 LEU 109 LYS 110 ASP 111 TRP 112 VAL 113 GLU 114 ALA 115 LEU 116 ASN 117 GLN 118 ALA 119 SER 120 LYS 121 SER 122 GLY 123 PRO 124 SER 125 SER 126 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1V5P "Solution Structure Of The N-Terminal Pleckstrin Homology Domain Of Tapp2 From Mouse" 100.00 126 100.00 100.00 4.62e-87 DBJ BAC37176 "unnamed protein product [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 DBJ BAC40325 "unnamed protein product [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 GB AAG15198 "Tandem PH Domain Containing Protein-2 [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 GB AAH10215 "Pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 2 [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 GB AAL57436 "PH domain-containing adaptor PHAD47 [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 GB EDL32841 "pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 2, isoform CRA_a, partial [Mus muscu" 92.06 431 99.14 99.14 2.60e-76 GB EDL32843 "pleckstrin homology domain-containing, family A (phosphoinositide binding specific) member 2, isoform CRA_c [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 REF NP_112547 "pleckstrin homology domain-containing family A member 2 [Mus musculus]" 89.68 425 100.00 100.00 5.04e-75 REF XP_001071937 "PREDICTED: pleckstrin homology domain-containing family A member 2 [Rattus norvegicus]" 89.68 426 100.00 100.00 5.69e-75 REF XP_002720821 "PREDICTED: pleckstrin homology domain-containing family A member 2 [Oryctolagus cuniculus]" 89.68 425 97.35 100.00 1.29e-73 REF XP_003412568 "PREDICTED: pleckstrin homology domain-containing family A member 2 [Loxodonta africana]" 89.68 425 98.23 100.00 4.61e-74 REF XP_003751669 "PREDICTED: pleckstrin homology domain-containing family A member 2 [Rattus norvegicus]" 89.68 425 100.00 100.00 4.33e-75 SP Q9ERS5 "RecName: Full=Pleckstrin homology domain-containing family A member 2; Short=PH domain-containing family A member 2; AltName: F" 89.68 425 100.00 100.00 5.04e-75 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 mouse 10090 Eukaryota Metazoa Mus musculus 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 P030212-66 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 1.08 mM '[U-13C; U-15N]' PiNa 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 VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'pleckstrin homology domain-containing, family A' _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 6 6 SER HA H 4.469 0.030 1 2 6 6 SER HB2 H 3.641 0.030 2 3 6 6 SER HB3 H 3.799 0.030 2 4 6 6 SER C C 175.027 0.300 1 5 6 6 SER CA C 58.697 0.300 1 6 6 6 SER CB C 63.779 0.300 1 7 7 7 GLY H H 8.400 0.030 1 8 7 7 GLY HA2 H 3.960 0.030 1 9 7 7 GLY HA3 H 3.960 0.030 1 10 7 7 GLY C C 173.797 0.300 1 11 7 7 GLY CA C 45.236 0.300 1 12 7 7 GLY N N 110.545 0.300 1 13 8 8 MET H H 8.107 0.030 1 14 8 8 MET HA H 4.816 0.030 1 15 8 8 MET HB2 H 1.990 0.030 1 16 8 8 MET HB3 H 1.990 0.030 1 17 8 8 MET HG2 H 2.534 0.030 2 18 8 8 MET HG3 H 2.606 0.030 2 19 8 8 MET HE H 2.101 0.030 1 20 8 8 MET C C 174.305 0.300 1 21 8 8 MET CA C 53.211 0.300 1 22 8 8 MET CB C 32.564 0.300 1 23 8 8 MET CE C 17.128 0.300 1 24 8 8 MET N N 120.825 0.300 1 25 9 9 PRO HA H 4.422 0.030 1 26 9 9 PRO HB2 H 2.189 0.030 2 27 9 9 PRO HB3 H 1.759 0.030 2 28 9 9 PRO HG2 H 1.933 0.030 2 29 9 9 PRO HG3 H 1.874 0.030 2 30 9 9 PRO HD2 H 3.409 0.030 2 31 9 9 PRO HD3 H 3.548 0.030 2 32 9 9 PRO C C 176.338 0.300 1 33 9 9 PRO CA C 63.241 0.300 1 34 9 9 PRO CB C 32.142 0.300 1 35 9 9 PRO CG C 27.356 0.300 1 36 9 9 PRO CD C 50.580 0.300 1 37 10 10 TYR H H 8.235 0.030 1 38 10 10 TYR HA H 4.500 0.030 1 39 10 10 TYR HB2 H 3.003 0.030 2 40 10 10 TYR HB3 H 2.964 0.030 2 41 10 10 TYR HD1 H 7.082 0.030 1 42 10 10 TYR HD2 H 7.082 0.030 1 43 10 10 TYR HE1 H 6.813 0.030 1 44 10 10 TYR HE2 H 6.813 0.030 1 45 10 10 TYR C C 175.412 0.300 1 46 10 10 TYR CA C 58.113 0.300 1 47 10 10 TYR CB C 38.840 0.300 1 48 10 10 TYR CD1 C 133.104 0.300 1 49 10 10 TYR CD2 C 133.104 0.300 1 50 10 10 TYR CE1 C 118.275 0.300 1 51 10 10 TYR CE2 C 118.275 0.300 1 52 10 10 TYR N N 120.628 0.300 1 53 11 11 VAL H H 7.765 0.030 1 54 11 11 VAL HA H 4.071 0.030 1 55 11 11 VAL HB H 1.907 0.030 1 56 11 11 VAL HG1 H 0.840 0.030 1 57 11 11 VAL HG2 H 0.827 0.030 1 58 11 11 VAL C C 175.101 0.300 1 59 11 11 VAL CA C 61.706 0.300 1 60 11 11 VAL CB C 33.351 0.300 1 61 11 11 VAL CG1 C 20.447 0.300 2 62 11 11 VAL CG2 C 21.072 0.300 2 63 11 11 VAL N N 122.712 0.300 1 64 12 12 ASP H H 8.287 0.030 1 65 12 12 ASP HA H 4.507 0.030 1 66 12 12 ASP HB2 H 2.753 0.030 2 67 12 12 ASP HB3 H 2.691 0.030 2 68 12 12 ASP C C 176.494 0.300 1 69 12 12 ASP CA C 54.167 0.300 1 70 12 12 ASP CB C 41.537 0.300 1 71 12 12 ASP N N 124.170 0.300 1 72 13 13 ARG H H 8.211 0.030 1 73 13 13 ARG HA H 4.267 0.030 1 74 13 13 ARG HB2 H 1.748 0.030 2 75 13 13 ARG HB3 H 1.856 0.030 2 76 13 13 ARG HG2 H 1.622 0.030 1 77 13 13 ARG HG3 H 1.622 0.030 1 78 13 13 ARG HD2 H 3.172 0.030 1 79 13 13 ARG HD3 H 3.172 0.030 1 80 13 13 ARG C C 176.305 0.300 1 81 13 13 ARG CA C 56.523 0.300 1 82 13 13 ARG CB C 30.701 0.300 1 83 13 13 ARG CG C 27.217 0.300 1 84 13 13 ARG CD C 43.461 0.300 1 85 13 13 ARG N N 121.438 0.300 1 86 14 14 GLN H H 8.370 0.030 1 87 14 14 GLN HA H 4.290 0.030 1 88 14 14 GLN HB2 H 2.110 0.030 2 89 14 14 GLN HB3 H 1.970 0.030 2 90 14 14 GLN HG2 H 2.310 0.030 1 91 14 14 GLN HG3 H 2.310 0.030 1 92 14 14 GLN HE21 H 6.828 0.030 2 93 14 14 GLN HE22 H 7.580 0.030 2 94 14 14 GLN C C 175.534 0.300 1 95 14 14 GLN CA C 55.800 0.300 1 96 14 14 GLN CB C 29.355 0.300 1 97 14 14 GLN CG C 34.089 0.300 1 98 14 14 GLN N N 120.086 0.300 1 99 14 14 GLN NE2 N 112.360 0.300 1 100 15 15 ASN H H 8.340 0.030 1 101 15 15 ASN HA H 4.697 0.030 1 102 15 15 ASN HB2 H 2.707 0.030 2 103 15 15 ASN HB3 H 2.812 0.030 2 104 15 15 ASN HD21 H 7.568 0.030 2 105 15 15 ASN HD22 H 6.837 0.030 2 106 15 15 ASN C C 174.486 0.300 1 107 15 15 ASN CA C 53.416 0.300 1 108 15 15 ASN CB C 39.053 0.300 1 109 15 15 ASN N N 118.602 0.300 1 110 15 15 ASN ND2 N 112.647 0.300 1 111 16 16 ARG H H 8.150 0.030 1 112 16 16 ARG HA H 4.560 0.030 1 113 16 16 ARG HB2 H 1.805 0.030 1 114 16 16 ARG HB3 H 1.805 0.030 1 115 16 16 ARG HG2 H 1.636 0.030 1 116 16 16 ARG HG3 H 1.636 0.030 1 117 16 16 ARG HD2 H 3.211 0.030 2 118 16 16 ARG HD3 H 3.130 0.030 2 119 16 16 ARG HE H 7.450 0.030 1 120 16 16 ARG C C 175.494 0.300 1 121 16 16 ARG CA C 56.140 0.300 1 122 16 16 ARG CB C 31.226 0.300 1 123 16 16 ARG CG C 27.217 0.300 1 124 16 16 ARG CD C 43.430 0.300 1 125 16 16 ARG N N 121.286 0.300 1 126 16 16 ARG NE N 84.670 0.300 1 127 17 17 ILE H H 8.100 0.030 1 128 17 17 ILE HA H 4.110 0.030 1 129 17 17 ILE HB H 1.470 0.030 1 130 17 17 ILE HG12 H 0.450 0.030 2 131 17 17 ILE HG13 H 1.044 0.030 2 132 17 17 ILE HG2 H -0.179 0.030 1 133 17 17 ILE HD1 H 0.122 0.030 1 134 17 17 ILE C C 172.757 0.300 1 135 17 17 ILE CA C 60.660 0.300 1 136 17 17 ILE CB C 37.824 0.300 1 137 17 17 ILE CG1 C 27.564 0.300 1 138 17 17 ILE CG2 C 15.424 0.300 1 139 17 17 ILE CD1 C 12.386 0.300 1 140 17 17 ILE N N 123.161 0.300 1 141 18 18 CYS H H 7.714 0.030 1 142 18 18 CYS HA H 5.754 0.030 1 143 18 18 CYS HB2 H 3.218 0.030 2 144 18 18 CYS HB3 H 2.919 0.030 2 145 18 18 CYS C C 173.822 0.300 1 146 18 18 CYS CA C 54.859 0.300 1 147 18 18 CYS CB C 31.827 0.300 1 148 18 18 CYS N N 119.258 0.300 1 149 19 19 GLY H H 8.470 0.030 1 150 19 19 GLY HA2 H 3.668 0.030 2 151 19 19 GLY HA3 H 4.816 0.030 2 152 19 19 GLY C C 171.928 0.300 1 153 19 19 GLY CA C 45.038 0.300 1 154 19 19 GLY N N 107.148 0.300 1 155 20 20 PHE H H 8.870 0.030 1 156 20 20 PHE HA H 5.470 0.030 1 157 20 20 PHE HB2 H 3.064 0.030 2 158 20 20 PHE HB3 H 3.002 0.030 2 159 20 20 PHE HD1 H 7.434 0.030 1 160 20 20 PHE HD2 H 7.434 0.030 1 161 20 20 PHE HE1 H 7.595 0.030 1 162 20 20 PHE HE2 H 7.595 0.030 1 163 20 20 PHE HZ H 7.711 0.030 1 164 20 20 PHE C C 177.018 0.300 1 165 20 20 PHE CA C 59.424 0.300 1 166 20 20 PHE CB C 40.797 0.300 1 167 20 20 PHE CD1 C 132.688 0.300 1 168 20 20 PHE CD2 C 132.688 0.300 1 169 20 20 PHE CE1 C 131.854 0.300 1 170 20 20 PHE CE2 C 131.854 0.300 1 171 20 20 PHE CZ C 130.658 0.300 1 172 20 20 PHE N N 117.970 0.300 1 173 21 21 LEU H H 9.311 0.030 1 174 21 21 LEU HA H 4.543 0.030 1 175 21 21 LEU HB2 H 1.066 0.030 2 176 21 21 LEU HB3 H 0.555 0.030 2 177 21 21 LEU HG H 0.770 0.030 1 178 21 21 LEU HD1 H -1.336 0.030 1 179 21 21 LEU HD2 H 0.579 0.030 1 180 21 21 LEU C C 174.830 0.300 1 181 21 21 LEU CA C 54.373 0.300 1 182 21 21 LEU CB C 47.212 0.300 1 183 21 21 LEU CG C 26.223 0.300 1 184 21 21 LEU CD1 C 23.356 0.300 2 185 21 21 LEU CD2 C 24.627 0.300 2 186 21 21 LEU N N 121.886 0.300 1 187 22 22 ASP H H 7.826 0.030 1 188 22 22 ASP HA H 5.922 0.030 1 189 22 22 ASP HB2 H 2.485 0.030 2 190 22 22 ASP HB3 H 2.395 0.030 2 191 22 22 ASP C C 174.936 0.300 1 192 22 22 ASP CA C 52.327 0.300 1 193 22 22 ASP CB C 42.693 0.300 1 194 22 22 ASP N N 118.711 0.300 1 195 23 23 ILE H H 9.688 0.030 1 196 23 23 ILE HA H 5.170 0.030 1 197 23 23 ILE HB H 1.375 0.030 1 198 23 23 ILE HG12 H 1.116 0.030 2 199 23 23 ILE HG13 H 1.479 0.030 2 200 23 23 ILE HG2 H 0.888 0.030 1 201 23 23 ILE HD1 H 0.288 0.030 1 202 23 23 ILE C C 174.010 0.300 1 203 23 23 ILE CA C 58.169 0.300 1 204 23 23 ILE CB C 41.873 0.300 1 205 23 23 ILE CG1 C 28.813 0.300 1 206 23 23 ILE CG2 C 14.027 0.300 1 207 23 23 ILE CD1 C 13.266 0.300 1 208 23 23 ILE N N 122.103 0.300 1 209 24 24 GLU H H 8.608 0.030 1 210 24 24 GLU HA H 3.604 0.030 1 211 24 24 GLU HB2 H 1.950 0.030 2 212 24 24 GLU HB3 H 1.072 0.030 2 213 24 24 GLU HG2 H 1.235 0.030 2 214 24 24 GLU HG3 H 1.981 0.030 2 215 24 24 GLU C C 176.420 0.300 1 216 24 24 GLU CA C 56.758 0.300 1 217 24 24 GLU CB C 29.997 0.300 1 218 24 24 GLU CG C 36.588 0.300 1 219 24 24 GLU N N 130.868 0.300 1 220 25 25 ASP H H 8.620 0.030 1 221 25 25 ASP HA H 4.390 0.030 1 222 25 25 ASP HB2 H 2.957 0.030 2 223 25 25 ASP HB3 H 2.518 0.030 2 224 25 25 ASP C C 176.657 0.300 1 225 25 25 ASP CA C 54.338 0.300 1 226 25 25 ASP CB C 41.616 0.300 1 227 25 25 ASP N N 126.959 0.300 1 228 26 26 ASN H H 8.378 0.030 1 229 26 26 ASN HA H 4.519 0.030 1 230 26 26 ASN HB2 H 2.855 0.030 1 231 26 26 ASN HB3 H 2.855 0.030 1 232 26 26 ASN HD21 H 7.665 0.030 2 233 26 26 ASN HD22 H 6.896 0.030 2 234 26 26 ASN C C 175.674 0.300 1 235 26 26 ASN CA C 54.889 0.300 1 236 26 26 ASN CB C 38.971 0.300 1 237 26 26 ASN N N 122.030 0.300 1 238 26 26 ASN ND2 N 113.194 0.300 1 239 27 27 GLU H H 8.510 0.030 1 240 27 27 GLU HA H 4.200 0.030 1 241 27 27 GLU HB2 H 2.070 0.030 2 242 27 27 GLU HB3 H 1.970 0.030 2 243 27 27 GLU HG2 H 2.270 0.030 2 244 27 27 GLU HG3 H 2.190 0.030 2 245 27 27 GLU C C 176.371 0.300 1 246 27 27 GLU CA C 57.142 0.300 1 247 27 27 GLU CB C 30.395 0.300 1 248 27 27 GLU CG C 36.588 0.300 1 249 27 27 GLU N N 118.906 0.300 1 250 28 28 ASN H H 7.919 0.030 1 251 28 28 ASN HA H 4.650 0.030 1 252 28 28 ASN HB2 H 2.649 0.030 1 253 28 28 ASN HB3 H 2.649 0.030 1 254 28 28 ASN HD21 H 7.847 0.030 2 255 28 28 ASN HD22 H 6.919 0.030 2 256 28 28 ASN C C 173.330 0.300 1 257 28 28 ASN CA C 53.121 0.300 1 258 28 28 ASN CB C 39.299 0.300 1 259 28 28 ASN N N 118.798 0.300 1 260 28 28 ASN ND2 N 115.116 0.300 1 261 29 29 SER H H 8.191 0.030 1 262 29 29 SER HA H 4.140 0.030 1 263 29 29 SER HB2 H 3.817 0.030 2 264 29 29 SER HB3 H 3.780 0.030 2 265 29 29 SER C C 176.329 0.300 1 266 29 29 SER CA C 59.948 0.300 1 267 29 29 SER CB C 63.500 0.300 1 268 29 29 SER N N 115.724 0.300 1 269 30 30 GLY H H 9.582 0.030 1 270 30 30 GLY HA2 H 3.579 0.030 2 271 30 30 GLY HA3 H 4.110 0.030 2 272 30 30 GLY C C 173.264 0.300 1 273 30 30 GLY CA C 45.421 0.300 1 274 30 30 GLY N N 113.600 0.300 1 275 31 31 LYS H H 7.940 0.030 1 276 31 31 LYS HA H 4.580 0.030 1 277 31 31 LYS HB2 H 1.890 0.030 2 278 31 31 LYS HB3 H 1.770 0.030 2 279 31 31 LYS HG2 H 1.283 0.030 2 280 31 31 LYS HG3 H 1.380 0.030 2 281 31 31 LYS HD2 H 1.660 0.030 1 282 31 31 LYS HD3 H 1.660 0.030 1 283 31 31 LYS C C 174.395 0.300 1 284 31 31 LYS CA C 54.918 0.300 1 285 31 31 LYS CB C 33.033 0.300 1 286 31 31 LYS CG C 24.903 0.300 1 287 31 31 LYS CD C 29.022 0.300 1 288 31 31 LYS CE C 42.350 0.300 1 289 31 31 LYS N N 121.604 0.300 1 290 32 32 PHE H H 8.790 0.030 1 291 32 32 PHE HA H 4.785 0.030 1 292 32 32 PHE HB2 H 2.610 0.030 2 293 32 32 PHE HB3 H 2.930 0.030 2 294 32 32 PHE HD1 H 6.920 0.030 1 295 32 32 PHE HD2 H 6.920 0.030 1 296 32 32 PHE HE1 H 6.978 0.030 1 297 32 32 PHE HE2 H 6.978 0.030 1 298 32 32 PHE HZ H 6.877 0.030 1 299 32 32 PHE C C 175.608 0.300 1 300 32 32 PHE CA C 57.510 0.300 1 301 32 32 PHE CB C 41.623 0.300 1 302 32 32 PHE CD1 C 131.405 0.300 1 303 32 32 PHE CD2 C 131.405 0.300 1 304 32 32 PHE CE1 C 131.067 0.300 1 305 32 32 PHE CE2 C 131.067 0.300 1 306 32 32 PHE CZ C 129.183 0.300 1 307 32 32 PHE N N 122.759 0.300 1 308 33 33 LEU H H 9.228 0.030 1 309 33 33 LEU HA H 4.690 0.030 1 310 33 33 LEU HB2 H 1.880 0.030 2 311 33 33 LEU HB3 H 1.241 0.030 2 312 33 33 LEU HG H 1.660 0.030 1 313 33 33 LEU HD1 H 0.941 0.030 1 314 33 33 LEU HD2 H 0.890 0.030 1 315 33 33 LEU C C 175.551 0.300 1 316 33 33 LEU CA C 53.136 0.300 1 317 33 33 LEU CB C 43.675 0.300 1 318 33 33 LEU CG C 26.939 0.300 1 319 33 33 LEU CD1 C 25.419 0.300 2 320 33 33 LEU CD2 C 23.038 0.300 2 321 33 33 LEU N N 124.224 0.300 1 322 34 34 ARG H H 8.823 0.030 1 323 34 34 ARG HA H 5.140 0.030 1 324 34 34 ARG HB2 H 1.970 0.030 2 325 34 34 ARG HB3 H 1.782 0.030 2 326 34 34 ARG HG2 H 1.600 0.030 2 327 34 34 ARG HG3 H 1.660 0.030 2 328 34 34 ARG HD2 H 3.152 0.030 2 329 34 34 ARG HD3 H 3.061 0.030 2 330 34 34 ARG HE H 7.280 0.030 1 331 34 34 ARG C C 177.829 0.300 1 332 34 34 ARG CA C 57.128 0.300 1 333 34 34 ARG CB C 30.301 0.300 1 334 34 34 ARG CG C 27.595 0.300 1 335 34 34 ARG CD C 43.738 0.300 1 336 34 34 ARG N N 125.745 0.300 1 337 34 34 ARG NE N 84.773 0.300 1 338 35 35 ARG H H 9.625 0.030 1 339 35 35 ARG HA H 5.132 0.030 1 340 35 35 ARG HB2 H 1.780 0.030 1 341 35 35 ARG HB3 H 1.780 0.030 1 342 35 35 ARG HG2 H 1.470 0.030 2 343 35 35 ARG HG3 H 1.567 0.030 2 344 35 35 ARG HD2 H 3.720 0.030 2 345 35 35 ARG HD3 H 2.790 0.030 2 346 35 35 ARG HE H 7.850 0.030 1 347 35 35 ARG C C 172.051 0.300 1 348 35 35 ARG CA C 53.394 0.300 1 349 35 35 ARG CB C 34.250 0.300 1 350 35 35 ARG CG C 28.328 0.300 1 351 35 35 ARG CD C 43.947 0.300 1 352 35 35 ARG N N 131.171 0.300 1 353 35 35 ARG NE N 85.218 0.300 1 354 36 36 TYR H H 8.760 0.030 1 355 36 36 TYR HA H 4.371 0.030 1 356 36 36 TYR HB2 H 2.582 0.030 2 357 36 36 TYR HB3 H 1.982 0.030 2 358 36 36 TYR HD1 H 5.740 0.030 1 359 36 36 TYR HD2 H 5.740 0.030 1 360 36 36 TYR HE1 H 6.510 0.030 1 361 36 36 TYR HE2 H 6.510 0.030 1 362 36 36 TYR C C 174.428 0.300 1 363 36 36 TYR CA C 58.169 0.300 1 364 36 36 TYR CB C 40.267 0.300 1 365 36 36 TYR CD1 C 132.609 0.300 1 366 36 36 TYR CD2 C 132.609 0.300 1 367 36 36 TYR CE1 C 117.271 0.300 1 368 36 36 TYR CE2 C 117.271 0.300 1 369 36 36 TYR N N 122.113 0.300 1 370 37 37 PHE H H 8.970 0.030 1 371 37 37 PHE HA H 5.431 0.030 1 372 37 37 PHE HB2 H 2.911 0.030 2 373 37 37 PHE HB3 H 2.559 0.030 2 374 37 37 PHE HD1 H 6.866 0.030 1 375 37 37 PHE HD2 H 6.866 0.030 1 376 37 37 PHE HE1 H 6.203 0.030 1 377 37 37 PHE HE2 H 6.203 0.030 1 378 37 37 PHE HZ H 5.870 0.030 1 379 37 37 PHE C C 175.288 0.300 1 380 37 37 PHE CA C 57.271 0.300 1 381 37 37 PHE CB C 43.368 0.300 1 382 37 37 PHE CD1 C 131.256 0.300 1 383 37 37 PHE CD2 C 131.256 0.300 1 384 37 37 PHE CE1 C 131.139 0.300 1 385 37 37 PHE CE2 C 131.139 0.300 1 386 37 37 PHE CZ C 128.230 0.300 1 387 37 37 PHE N N 128.914 0.300 1 388 38 38 ILE H H 9.490 0.030 1 389 38 38 ILE HA H 4.630 0.030 1 390 38 38 ILE HB H 1.970 0.030 1 391 38 38 ILE HG12 H 1.262 0.030 2 392 38 38 ILE HG13 H 1.861 0.030 2 393 38 38 ILE HG2 H 0.974 0.030 1 394 38 38 ILE HD1 H 0.997 0.030 1 395 38 38 ILE C C 174.715 0.300 1 396 38 38 ILE CA C 61.788 0.300 1 397 38 38 ILE CB C 43.416 0.300 1 398 38 38 ILE CG1 C 28.122 0.300 1 399 38 38 ILE CG2 C 16.975 0.300 1 400 38 38 ILE CD1 C 14.358 0.300 1 401 38 38 ILE N N 117.677 0.300 1 402 39 39 LEU H H 8.740 0.030 1 403 39 39 LEU HA H 4.854 0.030 1 404 39 39 LEU HB2 H 2.266 0.030 2 405 39 39 LEU HB3 H 1.467 0.030 2 406 39 39 LEU HG H 1.590 0.030 1 407 39 39 LEU HD1 H 0.904 0.030 1 408 39 39 LEU HD2 H 0.790 0.030 1 409 39 39 LEU C C 173.658 0.300 1 410 39 39 LEU CA C 54.835 0.300 1 411 39 39 LEU CB C 42.597 0.300 1 412 39 39 LEU CG C 28.466 0.300 1 413 39 39 LEU CD1 C 26.041 0.300 2 414 39 39 LEU CD2 C 25.837 0.300 2 415 39 39 LEU N N 129.729 0.300 1 416 40 40 ASP H H 8.760 0.030 1 417 40 40 ASP HA H 5.026 0.030 1 418 40 40 ASP HB2 H 3.353 0.030 2 419 40 40 ASP HB3 H 2.389 0.030 2 420 40 40 ASP C C 176.748 0.300 1 421 40 40 ASP CA C 52.651 0.300 1 422 40 40 ASP CB C 42.383 0.300 1 423 40 40 ASP N N 128.394 0.300 1 424 41 41 THR H H 8.367 0.030 1 425 41 41 THR HA H 4.041 0.030 1 426 41 41 THR HB H 4.417 0.030 1 427 41 41 THR HG2 H 1.247 0.030 1 428 41 41 THR C C 176.690 0.300 1 429 41 41 THR CA C 64.596 0.300 1 430 41 41 THR CB C 68.215 0.300 1 431 41 41 THR CG2 C 22.496 0.300 1 432 41 41 THR N N 116.499 0.300 1 433 42 42 GLN H H 8.549 0.030 1 434 42 42 GLN HA H 4.240 0.030 1 435 42 42 GLN HB2 H 2.217 0.030 1 436 42 42 GLN HB3 H 2.217 0.030 1 437 42 42 GLN HG2 H 2.443 0.030 2 438 42 42 GLN HG3 H 2.394 0.030 2 439 42 42 GLN HE21 H 7.584 0.030 2 440 42 42 GLN HE22 H 6.837 0.030 2 441 42 42 GLN C C 177.239 0.300 1 442 42 42 GLN CA C 58.614 0.300 1 443 42 42 GLN CB C 28.391 0.300 1 444 42 42 GLN CG C 34.436 0.300 1 445 42 42 GLN N N 123.150 0.300 1 446 42 42 GLN NE2 N 112.359 0.300 1 447 43 43 ALA H H 7.961 0.030 1 448 43 43 ALA HA H 4.320 0.030 1 449 43 43 ALA HB H 1.352 0.030 1 450 43 43 ALA C C 177.043 0.300 1 451 43 43 ALA CA C 51.652 0.300 1 452 43 43 ALA CB C 19.105 0.300 1 453 43 43 ALA N N 120.605 0.300 1 454 44 44 ASN H H 7.980 0.030 1 455 44 44 ASN HA H 4.398 0.030 1 456 44 44 ASN HB2 H 3.357 0.030 2 457 44 44 ASN HB3 H 2.556 0.030 2 458 44 44 ASN HD21 H 7.577 0.030 2 459 44 44 ASN HD22 H 6.674 0.030 2 460 44 44 ASN C C 175.043 0.300 1 461 44 44 ASN CA C 53.819 0.300 1 462 44 44 ASN CB C 37.982 0.300 1 463 44 44 ASN N N 116.724 0.300 1 464 44 44 ASN ND2 N 110.195 0.300 1 465 45 45 CYS H H 8.371 0.030 1 466 45 45 CYS HA H 5.280 0.030 1 467 45 45 CYS HB2 H 2.727 0.030 2 468 45 45 CYS HB3 H 2.549 0.030 2 469 45 45 CYS C C 171.428 0.300 1 470 45 45 CYS CA C 57.672 0.300 1 471 45 45 CYS CB C 32.036 0.300 1 472 45 45 CYS N N 113.948 0.300 1 473 46 46 LEU H H 8.980 0.030 1 474 46 46 LEU HA H 5.209 0.030 1 475 46 46 LEU HB2 H 1.297 0.030 2 476 46 46 LEU HB3 H 2.272 0.030 2 477 46 46 LEU HG H 1.900 0.030 1 478 46 46 LEU HD1 H 0.770 0.030 1 479 46 46 LEU HD2 H 1.298 0.030 1 480 46 46 LEU C C 174.084 0.300 1 481 46 46 LEU CA C 54.050 0.300 1 482 46 46 LEU CB C 45.131 0.300 1 483 46 46 LEU CG C 27.495 0.300 1 484 46 46 LEU CD1 C 25.500 0.300 2 485 46 46 LEU CD2 C 24.431 0.300 2 486 46 46 LEU N N 125.448 0.300 1 487 47 47 LEU H H 9.220 0.030 1 488 47 47 LEU HA H 4.920 0.030 1 489 47 47 LEU HB2 H 1.928 0.030 2 490 47 47 LEU HB3 H 1.401 0.030 2 491 47 47 LEU HG H 1.628 0.030 1 492 47 47 LEU HD1 H 1.059 0.030 1 493 47 47 LEU HD2 H 0.834 0.030 1 494 47 47 LEU C C 176.223 0.300 1 495 47 47 LEU CA C 54.255 0.300 1 496 47 47 LEU CB C 47.000 0.300 1 497 47 47 LEU CG C 27.608 0.300 1 498 47 47 LEU CD1 C 26.627 0.300 2 499 47 47 LEU CD2 C 24.699 0.300 2 500 47 47 LEU N N 127.766 0.300 1 501 48 48 TRP H H 7.953 0.030 1 502 48 48 TRP HA H 5.840 0.030 1 503 48 48 TRP HB2 H 1.800 0.030 2 504 48 48 TRP HB3 H 1.658 0.030 2 505 48 48 TRP HD1 H 6.176 0.030 1 506 48 48 TRP HE1 H 10.053 0.030 1 507 48 48 TRP HE3 H 6.801 0.030 1 508 48 48 TRP HZ2 H 7.218 0.030 1 509 48 48 TRP HZ3 H 6.461 0.030 1 510 48 48 TRP HH2 H 6.491 0.030 1 511 48 48 TRP C C 174.887 0.300 1 512 48 48 TRP CA C 55.654 0.300 1 513 48 48 TRP CB C 30.639 0.300 1 514 48 48 TRP CD1 C 125.047 0.300 1 515 48 48 TRP CE3 C 122.120 0.300 1 516 48 48 TRP CZ2 C 113.885 0.300 1 517 48 48 TRP CZ3 C 120.647 0.300 1 518 48 48 TRP CH2 C 123.758 0.300 1 519 48 48 TRP N N 115.454 0.300 1 520 48 48 TRP NE1 N 127.052 0.300 1 521 49 49 TYR H H 9.299 0.030 1 522 49 49 TYR HA H 4.713 0.030 1 523 49 49 TYR HB2 H 3.431 0.030 2 524 49 49 TYR HB3 H 3.148 0.030 2 525 49 49 TYR HD1 H 7.102 0.030 1 526 49 49 TYR HD2 H 7.102 0.030 1 527 49 49 TYR HE1 H 6.711 0.030 1 528 49 49 TYR HE2 H 6.711 0.030 1 529 49 49 TYR C C 176.666 0.300 1 530 49 49 TYR CA C 57.524 0.300 1 531 49 49 TYR CB C 45.081 0.300 1 532 49 49 TYR CD1 C 132.825 0.300 1 533 49 49 TYR CD2 C 132.825 0.300 1 534 49 49 TYR CE1 C 118.736 0.300 1 535 49 49 TYR CE2 C 118.736 0.300 1 536 49 49 TYR N N 117.414 0.300 1 537 50 50 MET H H 9.390 0.030 1 538 50 50 MET HA H 4.617 0.030 1 539 50 50 MET HB2 H 2.300 0.030 2 540 50 50 MET HB3 H 2.022 0.030 2 541 50 50 MET HG2 H 2.690 0.030 2 542 50 50 MET HG3 H 2.900 0.030 2 543 50 50 MET HE H 2.200 0.030 1 544 50 50 MET C C 175.461 0.300 1 545 50 50 MET CA C 56.435 0.300 1 546 50 50 MET CB C 31.383 0.300 1 547 50 50 MET CG C 32.215 0.300 1 548 50 50 MET CE C 16.418 0.300 1 549 50 50 MET N N 117.999 0.300 1 550 51 51 ASP H H 7.771 0.030 1 551 51 51 ASP HA H 4.682 0.030 1 552 51 51 ASP HB2 H 2.742 0.030 2 553 51 51 ASP HB3 H 2.267 0.030 2 554 51 51 ASP C C 173.298 0.300 1 555 51 51 ASP CA C 51.016 0.300 1 556 51 51 ASP CB C 43.264 0.300 1 557 51 51 ASP N N 113.226 0.300 1 558 52 52 ASN H H 9.380 0.030 1 559 52 52 ASN HA H 2.640 0.030 1 560 52 52 ASN HB2 H 1.913 0.030 2 561 52 52 ASN HB3 H 2.491 0.030 2 562 52 52 ASN HD21 H 7.530 0.030 2 563 52 52 ASN HD22 H 6.830 0.030 2 564 52 52 ASN C C 175.928 0.300 1 565 52 52 ASN CA C 51.077 0.300 1 566 52 52 ASN CB C 38.536 0.300 1 567 52 52 ASN N N 120.875 0.300 1 568 52 52 ASN ND2 N 112.580 0.300 1 569 53 53 PRO HA H 3.800 0.030 1 570 53 53 PRO HB2 H 1.773 0.030 2 571 53 53 PRO HB3 H 1.648 0.030 2 572 53 53 PRO HG2 H 1.380 0.030 2 573 53 53 PRO HG3 H 0.672 0.030 2 574 53 53 PRO HD2 H 3.161 0.030 2 575 53 53 PRO HD3 H 3.110 0.030 2 576 53 53 PRO C C 178.042 0.300 1 577 53 53 PRO CA C 64.568 0.300 1 578 53 53 PRO CB C 31.898 0.300 1 579 53 53 PRO CG C 26.176 0.300 1 580 53 53 PRO CD C 51.791 0.300 1 581 54 54 GLN H H 7.899 0.030 1 582 54 54 GLN HA H 3.988 0.030 1 583 54 54 GLN HB2 H 1.810 0.030 2 584 54 54 GLN HB3 H 1.694 0.030 2 585 54 54 GLN HG2 H 2.279 0.030 2 586 54 54 GLN HG3 H 2.213 0.030 2 587 54 54 GLN HE21 H 7.463 0.030 2 588 54 54 GLN HE22 H 6.824 0.030 2 589 54 54 GLN C C 176.576 0.300 1 590 54 54 GLN CA C 57.819 0.300 1 591 54 54 GLN CB C 28.750 0.300 1 592 54 54 GLN CG C 34.089 0.300 1 593 54 54 GLN N N 116.705 0.300 1 594 54 54 GLN NE2 N 112.069 0.300 1 595 55 55 ASN H H 8.300 0.030 1 596 55 55 ASN HA H 4.770 0.030 1 597 55 55 ASN HB2 H 2.549 0.030 2 598 55 55 ASN HB3 H 2.960 0.030 2 599 55 55 ASN HD21 H 7.600 0.030 2 600 55 55 ASN HD22 H 6.837 0.030 2 601 55 55 ASN C C 174.871 0.300 1 602 55 55 ASN CA C 52.430 0.300 1 603 55 55 ASN CB C 39.470 0.300 1 604 55 55 ASN N N 115.650 0.300 1 605 55 55 ASN ND2 N 111.788 0.300 1 606 56 56 LEU H H 7.095 0.030 1 607 56 56 LEU HA H 4.510 0.030 1 608 56 56 LEU HB2 H 1.690 0.030 2 609 56 56 LEU HB3 H 1.559 0.030 2 610 56 56 LEU HG H 1.480 0.030 1 611 56 56 LEU HD1 H 0.890 0.030 1 612 56 56 LEU HD2 H 0.860 0.030 1 613 56 56 LEU C C 175.887 0.300 1 614 56 56 LEU CA C 53.181 0.300 1 615 56 56 LEU CB C 44.222 0.300 1 616 56 56 LEU CG C 26.119 0.300 1 617 56 56 LEU CD1 C 26.058 0.300 2 618 56 56 LEU CD2 C 23.114 0.300 2 619 56 56 LEU N N 120.103 0.300 1 620 57 57 ALA H H 8.224 0.030 1 621 57 57 ALA HA H 4.216 0.030 1 622 57 57 ALA HB H 1.380 0.030 1 623 57 57 ALA C C 178.502 0.300 1 624 57 57 ALA CA C 52.267 0.300 1 625 57 57 ALA CB C 19.088 0.300 1 626 57 57 ALA N N 122.693 0.300 1 627 58 58 VAL H H 8.294 0.030 1 628 58 58 VAL HA H 3.820 0.030 1 629 58 58 VAL HB H 1.980 0.030 1 630 58 58 VAL HG1 H 1.038 0.030 1 631 58 58 VAL HG2 H 0.933 0.030 1 632 58 58 VAL C C 177.625 0.300 1 633 58 58 VAL CA C 64.165 0.300 1 634 58 58 VAL CB C 31.755 0.300 1 635 58 58 VAL CG1 C 21.589 0.300 2 636 58 58 VAL CG2 C 20.801 0.300 2 637 58 58 VAL N N 121.485 0.300 1 638 59 59 GLY H H 8.839 0.030 1 639 59 59 GLY HA2 H 4.110 0.030 2 640 59 59 GLY HA3 H 3.746 0.030 2 641 59 59 GLY C C 174.461 0.300 1 642 59 59 GLY CA C 45.171 0.300 1 643 59 59 GLY N N 114.715 0.300 1 644 60 60 ALA H H 7.668 0.030 1 645 60 60 ALA HA H 4.259 0.030 1 646 60 60 ALA HB H 1.522 0.030 1 647 60 60 ALA C C 177.977 0.300 1 648 60 60 ALA CA C 53.122 0.300 1 649 60 60 ALA CB C 20.217 0.300 1 650 60 60 ALA N N 123.383 0.300 1 651 61 61 GLY H H 8.455 0.030 1 652 61 61 GLY HA2 H 3.749 0.030 2 653 61 61 GLY HA3 H 4.334 0.030 2 654 61 61 GLY C C 173.199 0.300 1 655 61 61 GLY CA C 44.346 0.300 1 656 61 61 GLY N N 108.681 0.300 1 657 62 62 ALA H H 8.247 0.030 1 658 62 62 ALA HA H 3.351 0.030 1 659 62 62 ALA HB H 0.838 0.030 1 660 62 62 ALA C C 178.698 0.300 1 661 62 62 ALA CA C 52.784 0.300 1 662 62 62 ALA CB C 18.060 0.300 1 663 62 62 ALA N N 123.706 0.300 1 664 63 63 VAL H H 8.710 0.030 1 665 63 63 VAL HA H 4.150 0.030 1 666 63 63 VAL HB H 2.180 0.030 1 667 63 63 VAL HG1 H 0.980 0.030 1 668 63 63 VAL HG2 H 0.752 0.030 1 669 63 63 VAL C C 175.387 0.300 1 670 63 63 VAL CA C 61.441 0.300 1 671 63 63 VAL CB C 32.108 0.300 1 672 63 63 VAL CG1 C 22.118 0.300 2 673 63 63 VAL CG2 C 20.000 0.300 2 674 63 63 VAL N N 116.765 0.300 1 675 64 64 GLY H H 6.843 0.030 1 676 64 64 GLY HA2 H 3.463 0.030 2 677 64 64 GLY HA3 H 1.820 0.030 2 678 64 64 GLY C C 169.584 0.300 1 679 64 64 GLY CA C 43.608 0.300 1 680 64 64 GLY N N 110.261 0.300 1 681 65 65 SER H H 6.950 0.030 1 682 65 65 SER HA H 4.800 0.030 1 683 65 65 SER HB2 H 3.490 0.030 2 684 65 65 SER HB3 H 3.375 0.030 2 685 65 65 SER C C 172.895 0.300 1 686 65 65 SER CA C 57.023 0.300 1 687 65 65 SER CB C 65.528 0.300 1 688 65 65 SER N N 110.607 0.300 1 689 66 66 LEU H H 9.087 0.030 1 690 66 66 LEU HA H 4.800 0.030 1 691 66 66 LEU HB2 H 1.830 0.030 2 692 66 66 LEU HB3 H 1.570 0.030 2 693 66 66 LEU HD1 H 0.729 0.030 1 694 66 66 LEU HD2 H 0.990 0.030 1 695 66 66 LEU C C 175.288 0.300 1 696 66 66 LEU CA C 53.696 0.300 1 697 66 66 LEU CB C 46.275 0.300 1 698 66 66 LEU CG C 26.800 0.300 1 699 66 66 LEU CD1 C 26.162 0.300 2 700 66 66 LEU CD2 C 23.955 0.300 2 701 66 66 LEU N N 123.940 0.300 1 702 67 67 GLN H H 8.719 0.030 1 703 67 67 GLN HA H 4.620 0.030 1 704 67 67 GLN HB2 H 1.936 0.030 2 705 67 67 GLN HB3 H 1.720 0.030 2 706 67 67 GLN HG2 H 2.414 0.030 2 707 67 67 GLN HG3 H 2.298 0.030 2 708 67 67 GLN HE21 H 7.275 0.030 2 709 67 67 GLN HE22 H 6.804 0.030 2 710 67 67 GLN C C 177.780 0.300 1 711 67 67 GLN CA C 56.450 0.300 1 712 67 67 GLN CB C 28.918 0.300 1 713 67 67 GLN CG C 34.367 0.300 1 714 67 67 GLN N N 127.115 0.300 1 715 67 67 GLN NE2 N 111.550 0.300 1 716 68 68 LEU H H 8.175 0.030 1 717 68 68 LEU HA H 3.909 0.030 1 718 68 68 LEU HB2 H 1.340 0.030 2 719 68 68 LEU HB3 H 1.814 0.030 2 720 68 68 LEU HG H 1.389 0.030 1 721 68 68 LEU HD1 H 0.834 0.030 1 722 68 68 LEU HD2 H 0.764 0.030 1 723 68 68 LEU C C 178.657 0.300 1 724 68 68 LEU CA C 57.775 0.300 1 725 68 68 LEU CB C 40.338 0.300 1 726 68 68 LEU CG C 27.425 0.300 1 727 68 68 LEU CD1 C 26.174 0.300 2 728 68 68 LEU CD2 C 23.049 0.300 2 729 68 68 LEU N N 124.192 0.300 1 730 69 69 THR H H 7.617 0.030 1 731 69 69 THR HA H 4.190 0.030 1 732 69 69 THR HB H 4.091 0.030 1 733 69 69 THR HG2 H 1.171 0.030 1 734 69 69 THR C C 175.355 0.300 1 735 69 69 THR CA C 63.193 0.300 1 736 69 69 THR CB C 69.083 0.300 1 737 69 69 THR CG2 C 22.369 0.300 1 738 69 69 THR N N 107.314 0.300 1 739 70 70 TYR H H 7.572 0.030 1 740 70 70 TYR HA H 4.842 0.030 1 741 70 70 TYR HB2 H 3.510 0.030 2 742 70 70 TYR HB3 H 3.191 0.030 2 743 70 70 TYR HD1 H 7.188 0.030 1 744 70 70 TYR HD2 H 7.188 0.030 1 745 70 70 TYR HE1 H 6.880 0.030 1 746 70 70 TYR HE2 H 6.880 0.030 1 747 70 70 TYR C C 176.239 0.300 1 748 70 70 TYR CA C 56.272 0.300 1 749 70 70 TYR CB C 37.921 0.300 1 750 70 70 TYR CD1 C 131.943 0.300 1 751 70 70 TYR CD2 C 131.943 0.300 1 752 70 70 TYR CE1 C 118.420 0.300 1 753 70 70 TYR CE2 C 118.420 0.300 1 754 70 70 TYR N N 118.052 0.300 1 755 71 71 ILE H H 7.540 0.030 1 756 71 71 ILE HA H 4.125 0.030 1 757 71 71 ILE HB H 2.110 0.030 1 758 71 71 ILE HG12 H 1.929 0.030 2 759 71 71 ILE HG13 H 0.840 0.030 2 760 71 71 ILE HG2 H 0.839 0.030 1 761 71 71 ILE HD1 H 0.892 0.030 1 762 71 71 ILE C C 175.584 0.300 1 763 71 71 ILE CA C 63.237 0.300 1 764 71 71 ILE CB C 38.258 0.300 1 765 71 71 ILE CG1 C 28.189 0.300 1 766 71 71 ILE CG2 C 17.460 0.300 1 767 71 71 ILE CD1 C 14.313 0.300 1 768 71 71 ILE N N 119.527 0.300 1 769 72 72 SER H H 9.141 0.030 1 770 72 72 SER HA H 4.662 0.030 1 771 72 72 SER HB2 H 3.885 0.030 2 772 72 72 SER HB3 H 3.860 0.030 2 773 72 72 SER C C 174.846 0.300 1 774 72 72 SER CA C 58.805 0.300 1 775 72 72 SER CB C 64.112 0.300 1 776 72 72 SER N N 123.157 0.300 1 777 73 73 LYS H H 7.662 0.030 1 778 73 73 LYS HA H 4.510 0.030 1 779 73 73 LYS HB2 H 1.940 0.030 2 780 73 73 LYS HB3 H 1.763 0.030 2 781 73 73 LYS HG2 H 1.365 0.030 2 782 73 73 LYS HG3 H 1.437 0.030 2 783 73 73 LYS HD2 H 1.674 0.030 1 784 73 73 LYS HD3 H 1.674 0.030 1 785 73 73 LYS HE2 H 2.974 0.030 1 786 73 73 LYS HE3 H 2.974 0.030 1 787 73 73 LYS C C 173.969 0.300 1 788 73 73 LYS CA C 57.023 0.300 1 789 73 73 LYS CB C 35.760 0.300 1 790 73 73 LYS CG C 24.718 0.300 1 791 73 73 LYS CD C 29.230 0.300 1 792 73 73 LYS CE C 42.072 0.300 1 793 73 73 LYS N N 120.653 0.300 1 794 74 74 VAL H H 8.769 0.030 1 795 74 74 VAL HA H 5.160 0.030 1 796 74 74 VAL HB H 2.083 0.030 1 797 74 74 VAL HG1 H 1.024 0.030 1 798 74 74 VAL HG2 H 0.989 0.030 1 799 74 74 VAL C C 175.297 0.300 1 800 74 74 VAL CA C 61.472 0.300 1 801 74 74 VAL CB C 33.070 0.300 1 802 74 74 VAL CG1 C 22.484 0.300 1 803 74 74 VAL CG2 C 22.484 0.300 1 804 74 74 VAL N N 126.556 0.300 1 805 75 75 SER H H 8.835 0.030 1 806 75 75 SER HA H 4.950 0.030 1 807 75 75 SER HB2 H 3.802 0.030 2 808 75 75 SER HB3 H 3.741 0.030 2 809 75 75 SER C C 172.904 0.300 1 810 75 75 SER CA C 56.641 0.300 1 811 75 75 SER CB C 66.132 0.300 1 812 75 75 SER N N 120.102 0.300 1 813 76 76 ILE H H 8.808 0.030 1 814 76 76 ILE HA H 4.186 0.030 1 815 76 76 ILE HB H 1.889 0.030 1 816 76 76 ILE HG12 H 1.745 0.030 2 817 76 76 ILE HG13 H 1.142 0.030 2 818 76 76 ILE HG2 H 1.186 0.030 1 819 76 76 ILE HD1 H 0.966 0.030 1 820 76 76 ILE C C 176.559 0.300 1 821 76 76 ILE CA C 63.119 0.300 1 822 76 76 ILE CB C 38.442 0.300 1 823 76 76 ILE CG1 C 29.230 0.300 1 824 76 76 ILE CG2 C 17.734 0.300 1 825 76 76 ILE CD1 C 13.100 0.300 1 826 76 76 ILE N N 123.432 0.300 1 827 77 77 ALA H H 8.525 0.030 1 828 77 77 ALA HA H 4.550 0.030 1 829 77 77 ALA HB H 1.329 0.030 1 830 77 77 ALA C C 177.043 0.300 1 831 77 77 ALA CA C 52.282 0.300 1 832 77 77 ALA CB C 19.649 0.300 1 833 77 77 ALA N N 131.018 0.300 1 834 78 78 THR H H 8.538 0.030 1 835 78 78 THR HA H 4.754 0.030 1 836 78 78 THR HB H 4.590 0.030 1 837 78 78 THR HG2 H 1.330 0.030 1 838 78 78 THR C C 174.125 0.300 1 839 78 78 THR CA C 59.765 0.300 1 840 78 78 THR CB C 68.790 0.300 1 841 78 78 THR CG2 C 22.100 0.300 1 842 78 78 THR N N 114.371 0.300 1 843 79 79 PRO HA H 4.227 0.030 1 844 79 79 PRO HB2 H 2.336 0.030 2 845 79 79 PRO HB3 H 1.881 0.030 2 846 79 79 PRO HG2 H 1.970 0.030 2 847 79 79 PRO HG3 H 2.110 0.030 2 848 79 79 PRO HD2 H 3.901 0.030 2 849 79 79 PRO HD3 H 3.830 0.030 2 850 79 79 PRO C C 177.977 0.300 1 851 79 79 PRO CA C 64.698 0.300 1 852 79 79 PRO CB C 31.920 0.300 1 853 79 79 PRO CG C 27.842 0.300 1 854 79 79 PRO CD C 50.888 0.300 1 855 80 80 LYS H H 7.679 0.030 1 856 80 80 LYS HA H 4.070 0.030 1 857 80 80 LYS HB2 H 1.762 0.030 1 858 80 80 LYS HB3 H 1.762 0.030 1 859 80 80 LYS HG2 H 1.450 0.030 2 860 80 80 LYS HG3 H 1.400 0.030 2 861 80 80 LYS C C 177.772 0.300 1 862 80 80 LYS CA C 57.690 0.300 1 863 80 80 LYS CB C 32.548 0.300 1 864 80 80 LYS CG C 25.204 0.300 1 865 80 80 LYS CD C 28.952 0.300 1 866 80 80 LYS CE C 42.142 0.300 1 867 80 80 LYS N N 115.656 0.300 1 868 81 81 GLN H H 7.778 0.030 1 869 81 81 GLN HA H 4.150 0.030 1 870 81 81 GLN HB2 H 2.050 0.030 2 871 81 81 GLN HB3 H 2.269 0.030 2 872 81 81 GLN HG2 H 2.408 0.030 1 873 81 81 GLN HG3 H 2.408 0.030 1 874 81 81 GLN HE21 H 7.644 0.030 2 875 81 81 GLN HE22 H 6.718 0.030 2 876 81 81 GLN C C 175.911 0.300 1 877 81 81 GLN CA C 57.215 0.300 1 878 81 81 GLN CB C 29.580 0.300 1 879 81 81 GLN CG C 34.783 0.300 1 880 81 81 GLN N N 117.500 0.300 1 881 81 81 GLN NE2 N 111.077 0.300 1 882 82 82 LYS H H 7.795 0.030 1 883 82 82 LYS HA H 4.440 0.030 1 884 82 82 LYS HB2 H 1.752 0.030 2 885 82 82 LYS HB3 H 1.580 0.030 2 886 82 82 LYS HG2 H 1.330 0.030 2 887 82 82 LYS HG3 H 1.102 0.030 2 888 82 82 LYS HD2 H 1.511 0.030 2 889 82 82 LYS HD3 H 1.528 0.030 2 890 82 82 LYS HE2 H 2.334 0.030 2 891 82 82 LYS HE3 H 2.460 0.030 2 892 82 82 LYS C C 173.027 0.300 1 893 82 82 LYS CA C 53.387 0.300 1 894 82 82 LYS CB C 32.258 0.300 1 895 82 82 LYS CG C 24.423 0.300 1 896 82 82 LYS CD C 28.893 0.300 1 897 82 82 LYS CE C 41.595 0.300 1 898 82 82 LYS N N 116.967 0.300 1 899 83 83 PRO HA H 4.458 0.030 1 900 83 83 PRO HB2 H 2.231 0.030 2 901 83 83 PRO HB3 H 2.005 0.030 2 902 83 83 PRO HG2 H 1.929 0.030 2 903 83 83 PRO HG3 H 1.875 0.030 2 904 83 83 PRO HD2 H 3.411 0.030 2 905 83 83 PRO HD3 H 3.550 0.030 2 906 83 83 PRO C C 178.092 0.300 1 907 83 83 PRO CA C 63.801 0.300 1 908 83 83 PRO CB C 32.409 0.300 1 909 83 83 PRO CG C 27.147 0.300 1 910 83 83 PRO CD C 50.541 0.300 1 911 84 84 LYS H H 8.766 0.030 1 912 84 84 LYS HA H 4.142 0.030 1 913 84 84 LYS HB2 H 1.900 0.030 2 914 84 84 LYS HB3 H 1.760 0.030 2 915 84 84 LYS HG2 H 1.400 0.030 2 916 84 84 LYS HG3 H 1.351 0.030 2 917 84 84 LYS HD2 H 1.639 0.030 1 918 84 84 LYS HD3 H 1.639 0.030 1 919 84 84 LYS HE2 H 2.956 0.030 1 920 84 84 LYS HE3 H 2.956 0.030 1 921 84 84 LYS C C 176.067 0.300 1 922 84 84 LYS CA C 56.685 0.300 1 923 84 84 LYS CB C 32.353 0.300 1 924 84 84 LYS CG C 25.204 0.300 1 925 84 84 LYS CD C 29.022 0.300 1 926 84 84 LYS CE C 42.142 0.300 1 927 84 84 LYS N N 118.692 0.300 1 928 85 85 THR H H 7.249 0.030 1 929 85 85 THR HA H 4.527 0.030 1 930 85 85 THR HB H 3.910 0.030 1 931 85 85 THR HG2 H 0.869 0.030 1 932 85 85 THR C C 171.863 0.300 1 933 85 85 THR CA C 58.824 0.300 1 934 85 85 THR CB C 69.994 0.300 1 935 85 85 THR CG2 C 21.180 0.300 1 936 85 85 THR N N 113.107 0.300 1 937 86 86 PRO HA H 4.170 0.030 1 938 86 86 PRO HB2 H 0.978 0.030 2 939 86 86 PRO HB3 H 1.748 0.030 2 940 86 86 PRO HG2 H 1.468 0.030 2 941 86 86 PRO HG3 H 1.638 0.030 2 942 86 86 PRO HD2 H 3.299 0.030 2 943 86 86 PRO HD3 H 3.470 0.030 2 944 86 86 PRO C C 175.944 0.300 1 945 86 86 PRO CA C 62.747 0.300 1 946 86 86 PRO CB C 31.808 0.300 1 947 86 86 PRO CG C 26.662 0.300 1 948 86 86 PRO CD C 50.580 0.300 1 949 87 87 PHE H H 8.007 0.030 1 950 87 87 PHE HA H 4.580 0.030 1 951 87 87 PHE HB2 H 2.953 0.030 2 952 87 87 PHE HB3 H 3.180 0.030 2 953 87 87 PHE HD1 H 7.051 0.030 1 954 87 87 PHE HD2 H 7.051 0.030 1 955 87 87 PHE HE1 H 7.370 0.030 1 956 87 87 PHE HE2 H 7.370 0.030 1 957 87 87 PHE HZ H 7.340 0.030 1 958 87 87 PHE C C 174.101 0.300 1 959 87 87 PHE CA C 56.125 0.300 1 960 87 87 PHE CB C 37.344 0.300 1 961 87 87 PHE CD1 C 131.405 0.300 1 962 87 87 PHE CD2 C 131.405 0.300 1 963 87 87 PHE CE1 C 131.567 0.300 1 964 87 87 PHE CE2 C 131.567 0.300 1 965 87 87 PHE CZ C 129.586 0.300 1 966 87 87 PHE N N 115.484 0.300 1 967 88 88 CYS H H 8.142 0.030 1 968 88 88 CYS HA H 5.647 0.030 1 969 88 88 CYS HB2 H 2.839 0.030 2 970 88 88 CYS HB3 H 2.650 0.030 2 971 88 88 CYS C C 174.469 0.300 1 972 88 88 CYS CA C 57.248 0.300 1 973 88 88 CYS CB C 29.641 0.300 1 974 88 88 CYS N N 118.916 0.300 1 975 89 89 PHE H H 9.470 0.030 1 976 89 89 PHE HA H 5.330 0.030 1 977 89 89 PHE HB2 H 2.877 0.030 2 978 89 89 PHE HB3 H 2.786 0.030 2 979 89 89 PHE HD1 H 6.820 0.030 1 980 89 89 PHE HD2 H 6.820 0.030 1 981 89 89 PHE HE1 H 6.610 0.030 1 982 89 89 PHE HE2 H 6.610 0.030 1 983 89 89 PHE HZ H 6.277 0.030 1 984 89 89 PHE C C 170.904 0.300 1 985 89 89 PHE CA C 55.301 0.300 1 986 89 89 PHE CB C 41.706 0.300 1 987 89 89 PHE CD1 C 132.451 0.300 1 988 89 89 PHE CD2 C 132.451 0.300 1 989 89 89 PHE CE1 C 129.923 0.300 1 990 89 89 PHE CE2 C 129.923 0.300 1 991 89 89 PHE CZ C 129.611 0.300 1 992 89 89 PHE N N 123.459 0.300 1 993 90 90 VAL H H 9.292 0.030 1 994 90 90 VAL HA H 4.980 0.030 1 995 90 90 VAL HB H 1.750 0.030 1 996 90 90 VAL HG1 H 0.595 0.030 1 997 90 90 VAL HG2 H 0.498 0.030 1 998 90 90 VAL C C 175.788 0.300 1 999 90 90 VAL CA C 59.055 0.300 1 1000 90 90 VAL CB C 35.427 0.300 1 1001 90 90 VAL CG1 C 20.393 0.300 2 1002 90 90 VAL CG2 C 21.486 0.300 2 1003 90 90 VAL N N 118.591 0.300 1 1004 91 91 ILE H H 8.968 0.030 1 1005 91 91 ILE HA H 4.524 0.030 1 1006 91 91 ILE HB H 1.777 0.030 1 1007 91 91 ILE HG12 H 0.953 0.030 2 1008 91 91 ILE HG13 H 1.649 0.030 2 1009 91 91 ILE HG2 H 0.870 0.030 1 1010 91 91 ILE HD1 H 0.535 0.030 1 1011 91 91 ILE C C 175.018 0.300 1 1012 91 91 ILE CA C 60.690 0.300 1 1013 91 91 ILE CB C 40.926 0.300 1 1014 91 91 ILE CG1 C 26.854 0.300 1 1015 91 91 ILE CG2 C 18.304 0.300 1 1016 91 91 ILE CD1 C 14.164 0.300 1 1017 91 91 ILE N N 124.990 0.300 1 1018 92 92 ASN H H 8.927 0.030 1 1019 92 92 ASN HA H 5.119 0.030 1 1020 92 92 ASN HB2 H 2.855 0.030 2 1021 92 92 ASN HB3 H 2.787 0.030 2 1022 92 92 ASN HD21 H 7.212 0.030 2 1023 92 92 ASN HD22 H 6.794 0.030 2 1024 92 92 ASN C C 173.486 0.300 1 1025 92 92 ASN CA C 53.195 0.300 1 1026 92 92 ASN CB C 39.851 0.300 1 1027 92 92 ASN N N 126.612 0.300 1 1028 92 92 ASN ND2 N 111.142 0.300 1 1029 93 93 ALA H H 8.489 0.030 1 1030 93 93 ALA HA H 5.339 0.030 1 1031 93 93 ALA HB H 1.551 0.030 1 1032 93 93 ALA C C 176.494 0.300 1 1033 93 93 ALA CA C 51.068 0.300 1 1034 93 93 ALA CB C 22.011 0.300 1 1035 93 93 ALA N N 127.442 0.300 1 1036 94 94 LEU H H 8.517 0.030 1 1037 94 94 LEU HA H 4.041 0.030 1 1038 94 94 LEU HB2 H 1.902 0.030 2 1039 94 94 LEU HB3 H 1.606 0.030 2 1040 94 94 LEU HG H 1.630 0.030 1 1041 94 94 LEU HD1 H 0.779 0.030 1 1042 94 94 LEU HD2 H 0.759 0.030 1 1043 94 94 LEU C C 177.838 0.300 1 1044 94 94 LEU CA C 57.516 0.300 1 1045 94 94 LEU CB C 40.472 0.300 1 1046 94 94 LEU CG C 27.147 0.300 1 1047 94 94 LEU CD1 C 24.977 0.300 2 1048 94 94 LEU CD2 C 23.154 0.300 2 1049 94 94 LEU N N 121.504 0.300 1 1050 95 95 SER H H 8.401 0.030 1 1051 95 95 SER HA H 4.432 0.030 1 1052 95 95 SER HB2 H 3.950 0.030 2 1053 95 95 SER HB3 H 4.029 0.030 2 1054 95 95 SER C C 173.674 0.300 1 1055 95 95 SER CA C 58.819 0.300 1 1056 95 95 SER CB C 63.520 0.300 1 1057 95 95 SER N N 112.517 0.300 1 1058 96 96 GLN H H 7.685 0.030 1 1059 96 96 GLN HA H 4.478 0.030 1 1060 96 96 GLN HB2 H 1.990 0.030 2 1061 96 96 GLN HB3 H 1.831 0.030 2 1062 96 96 GLN HG2 H 1.928 0.030 2 1063 96 96 GLN HG3 H 2.096 0.030 2 1064 96 96 GLN HE21 H 7.196 0.030 2 1065 96 96 GLN HE22 H 6.843 0.030 2 1066 96 96 GLN C C 173.412 0.300 1 1067 96 96 GLN CA C 54.915 0.300 1 1068 96 96 GLN CB C 32.230 0.300 1 1069 96 96 GLN CG C 33.519 0.300 1 1070 96 96 GLN N N 119.210 0.300 1 1071 96 96 GLN NE2 N 112.013 0.300 1 1072 97 97 ARG H H 8.163 0.030 1 1073 97 97 ARG HA H 5.115 0.030 1 1074 97 97 ARG HB2 H 1.377 0.030 2 1075 97 97 ARG HB3 H 1.584 0.030 2 1076 97 97 ARG HG2 H 1.312 0.030 2 1077 97 97 ARG HG3 H 1.448 0.030 2 1078 97 97 ARG HD2 H 3.010 0.030 2 1079 97 97 ARG HD3 H 3.064 0.030 2 1080 97 97 ARG C C 174.863 0.300 1 1081 97 97 ARG CA C 54.725 0.300 1 1082 97 97 ARG CB C 32.899 0.300 1 1083 97 97 ARG CG C 27.147 0.300 1 1084 97 97 ARG CD C 43.835 0.300 1 1085 97 97 ARG N N 121.162 0.300 1 1086 98 98 TYR H H 8.733 0.030 1 1087 98 98 TYR HA H 4.858 0.030 1 1088 98 98 TYR HB2 H 2.553 0.030 2 1089 98 98 TYR HB3 H 2.476 0.030 2 1090 98 98 TYR HD1 H 6.997 0.030 1 1091 98 98 TYR HD2 H 6.997 0.030 1 1092 98 98 TYR HE1 H 6.837 0.030 1 1093 98 98 TYR HE2 H 6.837 0.030 1 1094 98 98 TYR C C 173.855 0.300 1 1095 98 98 TYR CA C 56.302 0.300 1 1096 98 98 TYR CB C 40.979 0.300 1 1097 98 98 TYR CD1 C 132.976 0.300 1 1098 98 98 TYR CD2 C 132.976 0.300 1 1099 98 98 TYR CE1 C 118.001 0.300 1 1100 98 98 TYR CE2 C 118.001 0.300 1 1101 98 98 TYR N N 122.075 0.300 1 1102 99 99 PHE H H 8.983 0.030 1 1103 99 99 PHE HA H 4.892 0.030 1 1104 99 99 PHE HB2 H 2.927 0.030 2 1105 99 99 PHE HB3 H 2.773 0.030 2 1106 99 99 PHE HD1 H 7.140 0.030 1 1107 99 99 PHE HD2 H 7.140 0.030 1 1108 99 99 PHE HE1 H 7.130 0.030 1 1109 99 99 PHE HE2 H 7.130 0.030 1 1110 99 99 PHE HZ H 7.124 0.030 1 1111 99 99 PHE C C 173.683 0.300 1 1112 99 99 PHE CA C 57.480 0.300 1 1113 99 99 PHE CB C 41.226 0.300 1 1114 99 99 PHE CD1 C 132.240 0.300 1 1115 99 99 PHE CD2 C 132.240 0.300 1 1116 99 99 PHE CE1 C 131.013 0.300 1 1117 99 99 PHE CE2 C 131.013 0.300 1 1118 99 99 PHE CZ C 129.217 0.300 1 1119 99 99 PHE N N 122.922 0.300 1 1120 100 100 LEU H H 8.630 0.030 1 1121 100 100 LEU HA H 5.207 0.030 1 1122 100 100 LEU HB2 H -0.437 0.030 2 1123 100 100 LEU HB3 H 0.400 0.030 2 1124 100 100 LEU HG H 0.840 0.030 1 1125 100 100 LEU HD1 H 0.002 0.030 1 1126 100 100 LEU HD2 H -0.237 0.030 1 1127 100 100 LEU C C 174.666 0.300 1 1128 100 100 LEU CA C 53.887 0.300 1 1129 100 100 LEU CB C 44.022 0.300 1 1130 100 100 LEU CG C 28.575 0.300 1 1131 100 100 LEU CD1 C 25.443 0.300 2 1132 100 100 LEU CD2 C 27.022 0.300 2 1133 100 100 LEU N N 124.520 0.300 1 1134 101 101 GLN H H 9.189 0.030 1 1135 101 101 GLN HA H 4.846 0.030 1 1136 101 101 GLN HB2 H 1.809 0.030 2 1137 101 101 GLN HB3 H 1.426 0.030 2 1138 101 101 GLN HG2 H 2.175 0.030 1 1139 101 101 GLN HG3 H 2.175 0.030 1 1140 101 101 GLN HE21 H 6.254 0.030 2 1141 101 101 GLN HE22 H 7.111 0.030 2 1142 101 101 GLN C C 175.445 0.300 1 1143 101 101 GLN CA C 54.550 0.300 1 1144 101 101 GLN CB C 32.071 0.300 1 1145 101 101 GLN CG C 34.089 0.300 1 1146 101 101 GLN N N 119.400 0.300 1 1147 101 101 GLN NE2 N 109.257 0.300 1 1148 102 102 ALA H H 8.899 0.030 1 1149 102 102 ALA HA H 4.800 0.030 1 1150 102 102 ALA HB H 1.608 0.030 1 1151 102 102 ALA C C 175.912 0.300 1 1152 102 102 ALA CA C 50.206 0.300 1 1153 102 102 ALA CB C 20.266 0.300 1 1154 102 102 ALA N N 128.669 0.300 1 1155 103 103 ASN H H 9.975 0.030 1 1156 103 103 ASN HA H 4.471 0.030 1 1157 103 103 ASN HB2 H 2.776 0.030 2 1158 103 103 ASN HB3 H 2.652 0.030 2 1159 103 103 ASN HD21 H 6.915 0.030 2 1160 103 103 ASN HD22 H 8.223 0.030 2 1161 103 103 ASN C C 174.625 0.300 1 1162 103 103 ASN CA C 56.273 0.300 1 1163 103 103 ASN CB C 40.947 0.300 1 1164 103 103 ASN N N 115.728 0.300 1 1165 103 103 ASN ND2 N 116.412 0.300 1 1166 104 104 ASP H H 7.498 0.030 1 1167 104 104 ASP HA H 3.096 0.030 1 1168 104 104 ASP HB2 H 2.655 0.030 2 1169 104 104 ASP HB3 H 2.837 0.030 2 1170 104 104 ASP C C 174.560 0.300 1 1171 104 104 ASP CA C 52.050 0.300 1 1172 104 104 ASP CB C 40.899 0.300 1 1173 104 104 ASP N N 112.000 0.300 1 1174 105 105 GLN H H 8.182 0.030 1 1175 105 105 GLN HA H 3.755 0.030 1 1176 105 105 GLN HB2 H 2.161 0.030 2 1177 105 105 GLN HB3 H 2.000 0.030 2 1178 105 105 GLN HG2 H 2.475 0.030 1 1179 105 105 GLN HG3 H 2.475 0.030 1 1180 105 105 GLN HE21 H 7.520 0.030 2 1181 105 105 GLN HE22 H 6.908 0.030 2 1182 105 105 GLN C C 177.043 0.300 1 1183 105 105 GLN CA C 59.158 0.300 1 1184 105 105 GLN CB C 28.638 0.300 1 1185 105 105 GLN CG C 33.603 0.300 1 1186 105 105 GLN N N 117.589 0.300 1 1187 105 105 GLN NE2 N 111.097 0.300 1 1188 106 106 LYS H H 7.946 0.030 1 1189 106 106 LYS HA H 3.975 0.030 1 1190 106 106 LYS HB2 H 1.900 0.030 2 1191 106 106 LYS HB3 H 1.780 0.030 2 1192 106 106 LYS HG2 H 1.418 0.030 1 1193 106 106 LYS HG3 H 1.418 0.030 1 1194 106 106 LYS C C 177.387 0.300 1 1195 106 106 LYS CA C 59.276 0.300 1 1196 106 106 LYS CB C 32.139 0.300 1 1197 106 106 LYS CG C 24.926 0.300 1 1198 106 106 LYS CD C 28.883 0.300 1 1199 106 106 LYS CE C 42.489 0.300 1 1200 106 106 LYS N N 122.099 0.300 1 1201 107 107 ASP H H 8.521 0.030 1 1202 107 107 ASP HA H 4.420 0.030 1 1203 107 107 ASP HB2 H 2.940 0.030 2 1204 107 107 ASP HB3 H 2.688 0.030 2 1205 107 107 ASP C C 177.674 0.300 1 1206 107 107 ASP CA C 57.156 0.300 1 1207 107 107 ASP CB C 42.409 0.300 1 1208 107 107 ASP N N 120.297 0.300 1 1209 108 108 LEU H H 7.678 0.030 1 1210 108 108 LEU HA H 3.718 0.030 1 1211 108 108 LEU HB2 H 2.160 0.030 2 1212 108 108 LEU HB3 H 1.501 0.030 2 1213 108 108 LEU HG H 1.430 0.030 1 1214 108 108 LEU HD1 H 1.112 0.030 1 1215 108 108 LEU HD2 H 0.934 0.030 1 1216 108 108 LEU C C 176.469 0.300 1 1217 108 108 LEU CA C 58.629 0.300 1 1218 108 108 LEU CB C 42.847 0.300 1 1219 108 108 LEU CG C 26.800 0.300 1 1220 108 108 LEU CD1 C 26.780 0.300 2 1221 108 108 LEU CD2 C 25.447 0.300 2 1222 108 108 LEU N N 117.138 0.300 1 1223 109 109 LYS H H 7.721 0.030 1 1224 109 109 LYS HA H 3.717 0.030 1 1225 109 109 LYS HB2 H 1.921 0.030 1 1226 109 109 LYS HB3 H 1.921 0.030 1 1227 109 109 LYS HG2 H 1.420 0.030 2 1228 109 109 LYS HG3 H 1.569 0.030 2 1229 109 109 LYS C C 178.804 0.300 1 1230 109 109 LYS CA C 59.687 0.300 1 1231 109 109 LYS CB C 32.383 0.300 1 1232 109 109 LYS CG C 24.996 0.300 1 1233 109 109 LYS CD C 29.508 0.300 1 1234 109 109 LYS CE C 42.072 0.300 1 1235 109 109 LYS N N 117.567 0.300 1 1236 110 110 ASP H H 8.603 0.030 1 1237 110 110 ASP HA H 4.220 0.030 1 1238 110 110 ASP HB2 H 2.255 0.030 2 1239 110 110 ASP HB3 H 2.740 0.030 2 1240 110 110 ASP C C 179.919 0.300 1 1241 110 110 ASP CA C 57.215 0.300 1 1242 110 110 ASP CB C 39.754 0.300 1 1243 110 110 ASP N N 119.028 0.300 1 1244 111 111 TRP H H 8.141 0.030 1 1245 111 111 TRP HA H 3.962 0.030 1 1246 111 111 TRP HB2 H 2.800 0.030 2 1247 111 111 TRP HB3 H 2.552 0.030 2 1248 111 111 TRP HD1 H 7.333 0.030 1 1249 111 111 TRP HE1 H 10.161 0.030 1 1250 111 111 TRP HE3 H 7.209 0.030 1 1251 111 111 TRP HZ2 H 6.832 0.030 1 1252 111 111 TRP HZ3 H 6.665 0.030 1 1253 111 111 TRP HH2 H 6.663 0.030 1 1254 111 111 TRP C C 178.452 0.300 1 1255 111 111 TRP CA C 61.956 0.300 1 1256 111 111 TRP CB C 29.666 0.300 1 1257 111 111 TRP CD1 C 128.082 0.300 1 1258 111 111 TRP CE3 C 118.565 0.300 1 1259 111 111 TRP CZ2 C 113.670 0.300 1 1260 111 111 TRP CZ3 C 120.670 0.300 1 1261 111 111 TRP CH2 C 124.104 0.300 1 1262 111 111 TRP N N 120.780 0.300 1 1263 111 111 TRP NE1 N 128.632 0.300 1 1264 112 112 VAL H H 8.054 0.030 1 1265 112 112 VAL HA H 3.109 0.030 1 1266 112 112 VAL HB H 1.885 0.030 1 1267 112 112 VAL HG1 H 0.719 0.030 1 1268 112 112 VAL HG2 H 0.429 0.030 1 1269 112 112 VAL C C 178.428 0.300 1 1270 112 112 VAL CA C 67.477 0.300 1 1271 112 112 VAL CB C 31.549 0.300 1 1272 112 112 VAL CG1 C 21.080 0.300 2 1273 112 112 VAL CG2 C 23.672 0.300 2 1274 112 112 VAL N N 118.696 0.300 1 1275 113 113 GLU H H 8.313 0.030 1 1276 113 113 GLU HA H 4.108 0.030 1 1277 113 113 GLU HB2 H 1.960 0.030 2 1278 113 113 GLU HB3 H 2.092 0.030 2 1279 113 113 GLU HG2 H 2.247 0.030 2 1280 113 113 GLU HG3 H 2.401 0.030 2 1281 113 113 GLU C C 179.321 0.300 1 1282 113 113 GLU CA C 59.455 0.300 1 1283 113 113 GLU CB C 29.336 0.300 1 1284 113 113 GLU CG C 36.434 0.300 1 1285 113 113 GLU N N 118.100 0.300 1 1286 114 114 ALA H H 7.936 0.030 1 1287 114 114 ALA HA H 4.037 0.030 1 1288 114 114 ALA HB H 1.290 0.030 1 1289 114 114 ALA C C 181.346 0.300 1 1290 114 114 ALA CA C 55.201 0.300 1 1291 114 114 ALA CB C 18.897 0.300 1 1292 114 114 ALA N N 120.800 0.300 1 1293 115 115 LEU H H 8.553 0.030 1 1294 115 115 LEU HA H 4.048 0.030 1 1295 115 115 LEU HB2 H 2.072 0.030 2 1296 115 115 LEU HB3 H 1.340 0.030 2 1297 115 115 LEU HG H 2.120 0.030 1 1298 115 115 LEU HD1 H 0.994 0.030 1 1299 115 115 LEU HD2 H 1.007 0.030 1 1300 115 115 LEU C C 179.346 0.300 1 1301 115 115 LEU CA C 57.907 0.300 1 1302 115 115 LEU CB C 43.092 0.300 1 1303 115 115 LEU CG C 27.842 0.300 1 1304 115 115 LEU CD1 C 27.118 0.300 2 1305 115 115 LEU CD2 C 24.576 0.300 2 1306 115 115 LEU N N 117.640 0.300 1 1307 116 116 ASN H H 8.384 0.030 1 1308 116 116 ASN HA H 4.480 0.030 1 1309 116 116 ASN HB2 H 2.732 0.030 2 1310 116 116 ASN HB3 H 2.938 0.030 2 1311 116 116 ASN HD21 H 7.402 0.030 2 1312 116 116 ASN HD22 H 7.142 0.030 2 1313 116 116 ASN C C 178.108 0.300 1 1314 116 116 ASN CA C 56.641 0.300 1 1315 116 116 ASN CB C 38.531 0.300 1 1316 116 116 ASN N N 119.022 0.300 1 1317 116 116 ASN ND2 N 113.359 0.300 1 1318 117 117 GLN H H 8.215 0.030 1 1319 117 117 GLN HA H 4.089 0.030 1 1320 117 117 GLN HB2 H 2.143 0.030 1 1321 117 117 GLN HB3 H 2.143 0.030 1 1322 117 117 GLN HG2 H 2.436 0.030 2 1323 117 117 GLN HG3 H 2.512 0.030 2 1324 117 117 GLN HE21 H 7.552 0.030 2 1325 117 117 GLN HE22 H 6.824 0.030 2 1326 117 117 GLN C C 178.248 0.300 1 1327 117 117 GLN CA C 58.614 0.300 1 1328 117 117 GLN CB C 28.439 0.300 1 1329 117 117 GLN CG C 33.803 0.300 1 1330 117 117 GLN N N 118.791 0.300 1 1331 117 117 GLN NE2 N 111.912 0.300 1 1332 118 118 ALA H H 7.990 0.030 1 1333 118 118 ALA HA H 4.279 0.030 1 1334 118 118 ALA HB H 1.540 0.030 1 1335 118 118 ALA C C 178.256 0.300 1 1336 118 118 ALA CA C 53.791 0.300 1 1337 118 118 ALA CB C 19.870 0.300 1 1338 118 118 ALA N N 119.946 0.300 1 1339 119 119 SER H H 7.760 0.030 1 1340 119 119 SER HA H 4.355 0.030 1 1341 119 119 SER HB2 H 3.880 0.030 2 1342 119 119 SER HB3 H 4.155 0.030 2 1343 119 119 SER C C 174.493 0.300 1 1344 119 119 SER CA C 59.320 0.300 1 1345 119 119 SER CB C 64.510 0.300 1 1346 119 119 SER N N 111.425 0.300 1 1347 120 120 LYS H H 7.629 0.030 1 1348 120 120 LYS HA H 4.411 0.030 1 1349 120 120 LYS HB2 H 1.971 0.030 2 1350 120 120 LYS HB3 H 1.891 0.030 2 1351 120 120 LYS HG2 H 1.539 0.030 2 1352 120 120 LYS HG3 H 1.500 0.030 2 1353 120 120 LYS HD2 H 1.700 0.030 1 1354 120 120 LYS HD3 H 1.700 0.030 1 1355 120 120 LYS HE2 H 2.988 0.030 2 1356 120 120 LYS HE3 H 3.020 0.030 2 1357 120 120 LYS C C 176.723 0.300 1 1358 120 120 LYS CA C 56.582 0.300 1 1359 120 120 LYS CB C 32.537 0.300 1 1360 120 120 LYS CG C 24.648 0.300 1 1361 120 120 LYS CD C 29.091 0.300 1 1362 120 120 LYS CE C 42.350 0.300 1 1363 120 120 LYS N N 121.177 0.300 1 1364 121 121 SER H H 8.099 0.030 1 1365 121 121 SER HA H 4.524 0.030 1 1366 121 121 SER HB2 H 3.929 0.030 1 1367 121 121 SER HB3 H 3.929 0.030 1 1368 121 121 SER C C 174.781 0.300 1 1369 121 121 SER CA C 58.672 0.300 1 1370 121 121 SER CB C 64.078 0.300 1 1371 121 121 SER N N 115.639 0.300 1 1372 122 122 GLY H H 8.201 0.030 1 1373 122 122 GLY HA2 H 4.202 0.030 2 1374 122 122 GLY HA3 H 4.091 0.030 2 1375 122 122 GLY C C 171.830 0.300 1 1376 122 122 GLY CA C 44.811 0.300 1 1377 122 122 GLY N N 110.445 0.300 1 1378 123 123 PRO HA H 4.501 0.030 1 1379 123 123 PRO HB2 H 2.309 0.030 1 1380 123 123 PRO HB3 H 2.309 0.030 1 1381 123 123 PRO HG2 H 2.021 0.030 1 1382 123 123 PRO HG3 H 2.021 0.030 1 1383 123 123 PRO HD2 H 3.651 0.030 1 1384 123 123 PRO HD3 H 3.651 0.030 1 1385 123 123 PRO CA C 63.272 0.300 1 1386 123 123 PRO CB C 32.316 0.300 1 1387 123 123 PRO CG C 27.262 0.300 1 1388 123 123 PRO CD C 49.910 0.300 1 1389 124 124 SER H H 8.529 0.030 1 1390 124 124 SER HA H 4.501 0.030 1 1391 124 124 SER HB2 H 3.931 0.030 1 1392 124 124 SER HB3 H 3.931 0.030 1 1393 124 124 SER N N 116.400 0.300 1 stop_ save_