data_16163 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the N-terminal domain of kindlin1 ; _BMRB_accession_number 16163 _BMRB_flat_file_name bmr16163.str _Entry_type original _Submission_date 2009-02-09 _Accession_date 2009-02-09 _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 Goult Benjamin T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 442 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-01 original author . stop_ _Original_release_date 2009-12-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of the N-terminus of kindlin-1: a domain important for alphaiibbeta3 integrin activation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19804783 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Bouaouina Mohamed . . 3 Harburger David S. . 4 Bate Neil . . 5 Patel Bipin . . 6 Anthis Nicholas J. . 7 Campbell Iain D. . 8 Calderwood David A. . 9 Barsukov Igor L. . 10 Roberts Gordon C. . 11 Critchley David R. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 394 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 944 _Page_last 956 _Year 2009 _Details . loop_ _Keyword adhesion ilk integrin kindlin migfilin nmr talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name F0 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F0 $F0 stop_ _System_molecular_weight 11655.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F0 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F0 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GIDPFTMLSSGDLTSASWEL VVRVDHANGEQQTEITLRVS GDLHIGGVMLKLVEQMNIAQ DWSDYALWWEQKRCWLLKTH WTLDKCGVQADANLLFTPQH KM ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 ASP 4 PRO 5 PHE 6 THR 7 MET 8 LEU 9 SER 10 SER 11 GLY 12 ASP 13 LEU 14 THR 15 SER 16 ALA 17 SER 18 TRP 19 GLU 20 LEU 21 VAL 22 VAL 23 ARG 24 VAL 25 ASP 26 HIS 27 ALA 28 ASN 29 GLY 30 GLU 31 GLN 32 GLN 33 THR 34 GLU 35 ILE 36 THR 37 LEU 38 ARG 39 VAL 40 SER 41 GLY 42 ASP 43 LEU 44 HIS 45 ILE 46 GLY 47 GLY 48 VAL 49 MET 50 LEU 51 LYS 52 LEU 53 VAL 54 GLU 55 GLN 56 MET 57 ASN 58 ILE 59 ALA 60 GLN 61 ASP 62 TRP 63 SER 64 ASP 65 TYR 66 ALA 67 LEU 68 TRP 69 TRP 70 GLU 71 GLN 72 LYS 73 ARG 74 CYS 75 TRP 76 LEU 77 LEU 78 LYS 79 THR 80 HIS 81 TRP 82 THR 83 LEU 84 ASP 85 LYS 86 CYS 87 GLY 88 VAL 89 GLN 90 ALA 91 ASP 92 ALA 93 ASN 94 LEU 95 LEU 96 PHE 97 THR 98 PRO 99 GLN 100 HIS 101 LYS 102 MET 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 2KMC "Solution Structure Of The N-Terminal Domain Of Kindlin-1" 100.00 102 100.00 100.00 4.55e-68 DBJ BAC34417 "unnamed protein product [Mus musculus]" 54.90 637 100.00 100.00 3.43e-32 GB EDL28367 "mCG128672, isoform CRA_a [Mus musculus]" 94.12 677 100.00 100.00 8.88e-60 GB EDL28368 "mCG128672, isoform CRA_b [Mus musculus]" 94.12 352 100.00 100.00 9.07e-62 REF NP_932146 "fermitin family homolog 1 [Mus musculus]" 94.12 677 100.00 100.00 9.84e-60 SP P59113 "RecName: Full=Fermitin family homolog 1; AltName: Full=Kindlin-1; AltName: Full=Unc-112-related protein 1" 94.12 677 100.00 100.00 9.84e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F0 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 _Variant _Vector_name $F0 'recombinant technology' . Escherichia coli BL21 DE3 pET-151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F0 200 uM '[U-100% 15N]' DTT 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F0 200 uM '[U-100% 13C; U-100% 15N]' DTT 2 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'peak picking' 'structure solution' stop_ _Details . save_ save_CCPNMR_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version 1.15 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPNMR_ANALYSIS stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $15N $double stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name F0 _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 1 1 GLY HA2 H 3.882 0.02 1 2 1 1 GLY HA3 H 3.882 0.02 1 3 1 1 GLY C C 173.950 0.2 1 4 1 1 GLY CA C 45.289 0.2 1 5 2 2 ILE H H 8.026 0.02 1 6 2 2 ILE HA H 4.518 0.02 1 7 2 2 ILE HB H 1.720 0.02 1 8 2 2 ILE HD1 H 0.776 0.02 1 9 2 2 ILE HG12 H 1.076 0.02 1 10 2 2 ILE HG13 H 1.344 0.02 1 11 2 2 ILE HG2 H 0.816 0.02 1 12 2 2 ILE CA C 54.315 0.2 1 13 2 2 ILE CB C 41.381 0.2 1 14 2 2 ILE CD1 C 13.038 0.2 1 15 2 2 ILE CG1 C 27.041 0.002 1 16 2 2 ILE CG2 C 17.391 0.2 1 17 2 2 ILE N N 120.237 0.2 1 18 3 3 ASP H H 8.212 0.02 1 19 3 3 ASP HB2 H 2.628 0.02 1 20 3 3 ASP HB3 H 2.554 0.02 1 21 3 3 ASP CB C 41.116 0.2 1 22 3 3 ASP N N 126.816 0.2 1 23 4 4 PRO HA H 3.818 0.02 1 24 4 4 PRO C C 176.930 0.2 1 25 4 4 PRO CA C 63.589 0.2 1 26 5 5 PHE H H 8.214 0.02 1 27 5 5 PHE HA H 4.534 0.02 1 28 5 5 PHE HB3 H 1.754 0.02 1 29 5 5 PHE C C 176.204 0.2 1 30 5 5 PHE CA C 58.089 0.2 1 31 5 5 PHE CB C 38.893 0.2 1 32 5 5 PHE N N 118.317 0.2 1 33 6 6 THR H H 7.789 0.02 1 34 6 6 THR HA H 4.268 0.02 1 35 6 6 THR HB H 4.174 0.02 1 36 6 6 THR HG2 H 1.127 0.02 1 37 6 6 THR C C 174.096 0.2 1 38 6 6 THR CA C 62.228 0.2 1 39 6 6 THR CB C 69.842 0.2 1 40 6 6 THR CG2 C 21.468 0.2 1 41 6 6 THR N N 114.242 0.2 1 42 7 7 MET H H 8.077 0.02 1 43 7 7 MET HA H 4.721 0.02 1 44 7 7 MET CA C 55.836 0.2 1 45 7 7 MET N N 121.684 0.2 1 46 8 8 LEU H H 8.043 0.02 1 47 8 8 LEU HA H 4.322 0.02 1 48 8 8 LEU HD1 H 0.779 0.02 1 49 8 8 LEU HD2 H 0.840 0.02 1 50 8 8 LEU CA C 55.142 0.2 1 51 8 8 LEU CD1 C 23.274 0.2 1 52 8 8 LEU CD2 C 24.953 0.2 1 53 8 8 LEU N N 122.622 0.2 1 54 9 9 SER H H 8.263 0.02 1 55 9 9 SER HA H 4.318 0.02 1 56 9 9 SER HB2 H 3.788 0.02 1 57 9 9 SER HB3 H 3.788 0.02 1 58 9 9 SER CA C 58.256 0.2 1 59 9 9 SER CB C 63.851 0.2 1 60 9 9 SER N N 116.455 0.2 1 61 10 10 SER H H 8.268 0.02 1 62 10 10 SER HA H 4.418 0.02 1 63 10 10 SER HB2 H 3.815 0.02 1 64 10 10 SER HB3 H 3.815 0.02 1 65 10 10 SER C C 175.142 0.2 1 66 10 10 SER CA C 58.684 0.2 1 67 10 10 SER CB C 63.935 0.2 1 68 10 10 SER N N 117.758 0.2 1 69 11 11 GLY H H 8.300 0.02 1 70 11 11 GLY HA2 H 3.888 0.02 1 71 11 11 GLY HA3 H 3.888 0.02 1 72 11 11 GLY C C 176.844 0.2 1 73 11 11 GLY CA C 45.340 0.2 1 74 11 11 GLY N N 110.621 0.2 1 75 12 12 ASP H H 8.095 0.02 1 76 12 12 ASP HA H 4.520 0.02 1 77 12 12 ASP HB2 H 2.633 0.02 1 78 12 12 ASP HB3 H 2.550 0.02 1 79 12 12 ASP C C 176.422 0.2 1 80 12 12 ASP CA C 54.331 0.2 1 81 12 12 ASP CB C 41.101 0.003 1 82 12 12 ASP N N 120.276 0.2 1 83 13 13 LEU H H 8.259 0.002 1 84 13 13 LEU HA H 4.326 0.02 1 85 13 13 LEU HB2 H 1.614 0.02 1 86 13 13 LEU HB3 H 1.562 0.02 1 87 13 13 LEU HD1 H 0.776 0.02 1 88 13 13 LEU HD2 H 0.837 0.02 1 89 13 13 LEU HG H 1.567 0.02 1 90 13 13 LEU C C 177.829 0.2 1 91 13 13 LEU CA C 55.426 0.2 1 92 13 13 LEU CB C 42.043 0.002 1 93 13 13 LEU CD1 C 23.278 0.2 1 94 13 13 LEU CD2 C 24.973 0.2 1 95 13 13 LEU CG C 26.855 0.2 1 96 13 13 LEU N N 122.645 0.195 1 97 14 14 THR H H 8.134 0.02 1 98 14 14 THR HA H 4.265 0.02 1 99 14 14 THR HB H 4.178 0.02 1 100 14 14 THR HG2 H 1.129 0.02 1 101 14 14 THR C C 174.821 0.2 1 102 14 14 THR CA C 62.228 0.2 1 103 14 14 THR CB C 69.762 0.2 1 104 14 14 THR CG2 C 21.516 0.2 1 105 14 14 THR N N 114.338 0.2 1 106 15 15 SER H H 8.181 0.02 1 107 15 15 SER HA H 4.429 0.02 1 108 15 15 SER HB2 H 3.843 0.02 1 109 15 15 SER HB3 H 3.843 0.02 1 110 15 15 SER C C 174.213 0.2 1 111 15 15 SER CA C 58.321 0.2 1 112 15 15 SER CB C 63.826 0.2 1 113 15 15 SER N N 117.846 0.2 1 114 16 16 ALA H H 8.284 0.02 1 115 16 16 ALA HA H 4.395 0.02 1 116 16 16 ALA HB H 1.442 0.02 1 117 16 16 ALA C C 177.160 0.2 1 118 16 16 ALA CA C 52.623 0.2 1 119 16 16 ALA CB C 19.390 0.2 1 120 16 16 ALA N N 126.207 0.2 1 121 17 17 SER H H 8.035 0.02 1 122 17 17 SER HA H 4.891 0.02 1 123 17 17 SER HB2 H 3.637 0.02 1 124 17 17 SER HB3 H 3.637 0.02 1 125 17 17 SER C C 173.472 0.2 1 126 17 17 SER CA C 57.547 0.2 1 127 17 17 SER CB C 65.420 0.2 1 128 17 17 SER N N 114.521 0.2 1 129 18 18 TRP H H 8.523 0.02 1 130 18 18 TRP HA H 4.787 0.02 1 131 18 18 TRP HB2 H 3.230 0.02 1 132 18 18 TRP HB3 H 3.371 0.02 1 133 18 18 TRP HD1 H 6.930 0.02 1 134 18 18 TRP HE1 H 9.481 0.02 1 135 18 18 TRP HE3 H 7.214 0.02 1 136 18 18 TRP HH2 H 6.592 0.02 1 137 18 18 TRP HZ2 H 6.999 0.02 1 138 18 18 TRP HZ3 H 6.609 0.02 1 139 18 18 TRP C C 173.910 0.2 1 140 18 18 TRP CA C 55.331 0.2 1 141 18 18 TRP CB C 30.044 0.2 1 142 18 18 TRP CD1 C 129.289 0.2 1 143 18 18 TRP CE3 C 121.191 0.2 1 144 18 18 TRP CH2 C 122.038 0.2 1 145 18 18 TRP CZ2 C 114.113 0.2 1 146 18 18 TRP CZ3 C 124.635 0.2 1 147 18 18 TRP N N 120.348 0.2 1 148 18 18 TRP NE1 N 128.270 0.2 1 149 19 19 GLU H H 8.542 0.02 1 150 19 19 GLU HA H 4.957 0.02 1 151 19 19 GLU HB2 H 1.885 0.02 1 152 19 19 GLU HB3 H 1.625 0.02 1 153 19 19 GLU HG2 H 2.132 0.02 1 154 19 19 GLU HG3 H 1.854 0.02 1 155 19 19 GLU C C 175.089 0.2 1 156 19 19 GLU CA C 55.735 0.2 1 157 19 19 GLU CB C 31.683 0.2 1 158 19 19 GLU CG C 37.400 0.001 1 159 19 19 GLU N N 117.964 0.2 1 160 20 20 LEU H H 8.813 0.02 1 161 20 20 LEU HA H 4.794 0.02 1 162 20 20 LEU HB2 H 1.155 0.02 1 163 20 20 LEU HB3 H 1.452 0.02 1 164 20 20 LEU HD1 H 0.811 0.02 1 165 20 20 LEU HD2 H 0.573 0.02 1 166 20 20 LEU HG H 1.298 0.02 1 167 20 20 LEU C C 174.656 0.2 1 168 20 20 LEU CA C 53.195 0.2 1 169 20 20 LEU CB C 46.182 0.009 1 170 20 20 LEU CD1 C 23.783 0.2 1 171 20 20 LEU CD2 C 25.904 0.2 1 172 20 20 LEU CG C 26.756 0.2 1 173 20 20 LEU N N 125.925 0.2 1 174 21 21 VAL H H 8.827 0.02 1 175 21 21 VAL HA H 4.499 0.02 1 176 21 21 VAL HB H 2.010 0.02 1 177 21 21 VAL HG1 H 0.915 0.02 1 178 21 21 VAL HG2 H 0.690 0.02 1 179 21 21 VAL C C 176.157 0.2 1 180 21 21 VAL CA C 62.260 0.2 1 181 21 21 VAL CB C 31.627 0.2 1 182 21 21 VAL CG1 C 20.888 0.2 1 183 21 21 VAL CG2 C 21.142 0.2 1 184 21 21 VAL N N 127.297 0.2 1 185 22 22 VAL H H 9.178 0.02 1 186 22 22 VAL HA H 4.348 0.02 1 187 22 22 VAL HB H 1.700 0.02 1 188 22 22 VAL HG1 H 0.691 0.02 1 189 22 22 VAL HG2 H 0.612 0.02 1 190 22 22 VAL C C 175.253 0.2 1 191 22 22 VAL CA C 60.925 0.2 1 192 22 22 VAL CB C 34.352 0.2 1 193 22 22 VAL CG1 C 21.874 0.2 1 194 22 22 VAL CG2 C 21.218 0.2 1 195 22 22 VAL N N 129.937 0.2 1 196 23 23 ARG H H 8.104 0.02 1 197 23 23 ARG HA H 4.933 0.02 1 198 23 23 ARG HB2 H 1.831 0.02 1 199 23 23 ARG HB3 H 1.567 0.02 1 200 23 23 ARG HD2 H 3.218 0.02 1 201 23 23 ARG HD3 H 3.218 0.02 1 202 23 23 ARG HE H 7.337 0.02 1 203 23 23 ARG HG2 H 1.733 0.02 1 204 23 23 ARG HG3 H 1.526 0.02 1 205 23 23 ARG C C 174.950 0.2 1 206 23 23 ARG CA C 55.516 0.2 1 207 23 23 ARG CB C 31.988 0.2 1 208 23 23 ARG CD C 43.299 0.2 1 209 23 23 ARG CG C 28.676 0.003 1 210 23 23 ARG N N 125.848 0.2 1 211 23 23 ARG NE N 84.922 0.2 1 212 24 24 VAL H H 9.325 0.02 1 213 24 24 VAL HA H 5.011 0.02 1 214 24 24 VAL HB H 2.136 0.02 1 215 24 24 VAL HG1 H 1.021 0.02 1 216 24 24 VAL HG2 H 1.024 0.02 1 217 24 24 VAL C C 175.449 0.2 1 218 24 24 VAL CA C 61.634 0.2 1 219 24 24 VAL CB C 33.928 0.2 1 220 24 24 VAL CG1 C 21.164 0.2 1 221 24 24 VAL CG2 C 21.157 0.2 1 222 24 24 VAL N N 124.136 0.2 1 223 25 25 ASP H H 8.414 0.02 1 224 25 25 ASP HA H 5.220 0.02 1 225 25 25 ASP HB2 H 2.803 0.02 1 226 25 25 ASP HB3 H 2.495 0.02 1 227 25 25 ASP C C 176.671 0.2 1 228 25 25 ASP CA C 52.956 0.2 1 229 25 25 ASP CB C 43.473 0.003 1 230 25 25 ASP N N 126.172 0.2 1 231 26 26 HIS H H 9.152 0.02 1 232 26 26 HIS HA H 4.542 0.02 1 233 26 26 HIS HB2 H 2.946 0.02 1 234 26 26 HIS HB3 H 3.199 0.02 1 235 26 26 HIS HD2 H 7.116 0.02 1 236 26 26 HIS HE1 H 7.663 0.02 1 237 26 26 HIS C C 174.917 0.2 1 238 26 26 HIS CA C 56.700 0.2 1 239 26 26 HIS CB C 30.185 0.2 1 240 26 26 HIS CD2 C 120.456 0.2 1 241 26 26 HIS CE1 C 137.494 0.2 1 242 26 26 HIS N N 124.402 0.2 1 243 27 27 ALA H H 9.121 0.02 1 244 27 27 ALA HA H 3.984 0.02 1 245 27 27 ALA HB H 1.212 0.02 1 246 27 27 ALA C C 176.927 0.2 1 247 27 27 ALA CA C 53.240 0.2 1 248 27 27 ALA CB C 17.122 0.2 1 249 27 27 ALA N N 121.895 0.2 1 250 28 28 ASN H H 8.140 0.02 1 251 28 28 ASN HA H 4.628 0.02 1 252 28 28 ASN HB2 H 2.646 0.02 1 253 28 28 ASN HB3 H 3.008 0.02 1 254 28 28 ASN HD21 H 6.880 0.02 1 255 28 28 ASN HD22 H 7.430 0.02 1 256 28 28 ASN C C 176.389 0.2 1 257 28 28 ASN CA C 52.466 0.2 1 258 28 28 ASN CB C 38.624 0.001 1 259 28 28 ASN N N 114.287 0.2 1 260 28 28 ASN ND2 N 111.111 0.002 1 261 29 29 GLY H H 8.254 0.02 1 262 29 29 GLY HA2 H 4.165 0.02 1 263 29 29 GLY HA3 H 3.637 0.02 1 264 29 29 GLY C C 174.848 0.2 1 265 29 29 GLY CA C 45.354 0.2 1 266 29 29 GLY N N 108.650 0.2 1 267 30 30 GLU H H 7.860 0.02 1 268 30 30 GLU HA H 4.267 0.02 1 269 30 30 GLU HB2 H 2.091 0.02 1 270 30 30 GLU HB3 H 2.016 0.02 1 271 30 30 GLU HG2 H 2.223 0.02 1 272 30 30 GLU HG3 H 2.112 0.02 1 273 30 30 GLU C C 176.802 0.2 1 274 30 30 GLU CA C 56.348 0.2 1 275 30 30 GLU CB C 30.460 0.002 1 276 30 30 GLU CG C 36.616 0.2 1 277 30 30 GLU N N 119.375 0.2 1 278 31 31 GLN H H 8.280 0.02 1 279 31 31 GLN HA H 4.222 0.02 1 280 31 31 GLN HB2 H 1.850 0.02 1 281 31 31 GLN HB3 H 1.730 0.02 1 282 31 31 GLN HE21 H 7.515 0.02 1 283 31 31 GLN HE22 H 6.809 0.02 1 284 31 31 GLN HG2 H 2.331 0.02 1 285 31 31 GLN HG3 H 2.285 0.02 1 286 31 31 GLN C C 175.995 0.2 1 287 31 31 GLN CA C 55.917 0.2 1 288 31 31 GLN CB C 30.002 0.001 1 289 31 31 GLN CG C 33.687 0.2 1 290 31 31 GLN N N 120.036 0.2 1 291 31 31 GLN NE2 N 112.437 0.001 1 292 32 32 GLN H H 7.520 0.02 1 293 32 32 GLN HA H 4.905 0.02 1 294 32 32 GLN HB2 H 1.987 0.02 1 295 32 32 GLN HB3 H 1.852 0.02 1 296 32 32 GLN HE21 H 8.153 0.02 1 297 32 32 GLN HE22 H 6.739 0.02 1 298 32 32 GLN HG2 H 2.491 0.02 1 299 32 32 GLN HG3 H 2.264 0.02 1 300 32 32 GLN C C 176.112 0.2 1 301 32 32 GLN CA C 56.211 0.2 1 302 32 32 GLN CB C 30.863 0.003 1 303 32 32 GLN CG C 34.385 0.2 1 304 32 32 GLN N N 123.146 0.2 1 305 32 32 GLN NE2 N 112.393 0.2 1 306 33 33 THR H H 8.533 0.02 1 307 33 33 THR HA H 4.621 0.02 1 308 33 33 THR HB H 4.011 0.02 1 309 33 33 THR HG2 H 1.210 0.02 1 310 33 33 THR C C 173.112 0.2 1 311 33 33 THR CA C 61.506 0.2 1 312 33 33 THR CB C 71.605 0.2 1 313 33 33 THR CG2 C 21.801 0.2 1 314 33 33 THR N N 118.233 0.2 1 315 34 34 GLU H H 8.711 0.02 1 316 34 34 GLU HA H 4.939 0.02 1 317 34 34 GLU HB2 H 1.807 0.02 1 318 34 34 GLU HB3 H 1.807 0.02 1 319 34 34 GLU HG2 H 2.064 0.02 1 320 34 34 GLU HG3 H 1.908 0.02 1 321 34 34 GLU C C 175.108 0.2 1 322 34 34 GLU CA C 55.553 0.2 1 323 34 34 GLU CB C 31.950 0.2 1 324 34 34 GLU CG C 37.284 0.002 1 325 34 34 GLU N N 124.692 0.2 1 326 35 35 ILE H H 9.115 0.02 1 327 35 35 ILE HA H 4.306 0.02 1 328 35 35 ILE HB H 1.535 0.02 1 329 35 35 ILE HD1 H 0.696 0.02 1 330 35 35 ILE HG12 H 1.237 0.02 1 331 35 35 ILE HG13 H 1.130 0.02 1 332 35 35 ILE HG2 H 0.617 0.02 1 333 35 35 ILE C C 174.282 0.2 1 334 35 35 ILE CA C 59.057 0.2 1 335 35 35 ILE CB C 40.296 0.2 1 336 35 35 ILE CD1 C 12.263 0.2 1 337 35 35 ILE CG1 C 27.368 0.001 1 338 35 35 ILE CG2 C 17.742 0.2 1 339 35 35 ILE N N 127.113 0.2 1 340 36 36 THR H H 8.545 0.02 1 341 36 36 THR HA H 4.772 0.02 1 342 36 36 THR HB H 3.876 0.02 1 343 36 36 THR HG2 H 0.924 0.02 1 344 36 36 THR C C 174.054 0.2 1 345 36 36 THR CA C 62.257 0.2 1 346 36 36 THR CB C 68.948 0.2 1 347 36 36 THR CG2 C 21.345 0.2 1 348 36 36 THR N N 123.057 0.2 1 349 37 37 LEU H H 9.161 0.02 1 350 37 37 LEU HA H 4.503 0.02 1 351 37 37 LEU HB2 H 1.416 0.02 1 352 37 37 LEU HB3 H 1.049 0.02 1 353 37 37 LEU HD1 H 0.500 0.02 1 354 37 37 LEU HD2 H 0.506 0.02 1 355 37 37 LEU HG H 1.328 0.02 1 356 37 37 LEU C C 175.047 0.2 1 357 37 37 LEU CA C 52.646 0.2 1 358 37 37 LEU CB C 45.951 0.001 1 359 37 37 LEU CD1 C 26.801 0.2 1 360 37 37 LEU CD2 C 24.134 0.2 1 361 37 37 LEU CG C 26.334 0.2 1 362 37 37 LEU N N 128.195 0.2 1 363 38 38 ARG H H 8.258 0.02 1 364 38 38 ARG HA H 4.556 0.02 1 365 38 38 ARG HB2 H 1.551 0.02 1 366 38 38 ARG HB3 H 1.551 0.02 1 367 38 38 ARG HD2 H 3.032 0.02 1 368 38 38 ARG HD3 H 2.994 0.02 1 369 38 38 ARG HE H 7.233 0.02 1 370 38 38 ARG HG2 H 1.356 0.02 1 371 38 38 ARG HG3 H 1.323 0.02 1 372 38 38 ARG C C 175.726 0.2 1 373 38 38 ARG CA C 55.701 0.2 1 374 38 38 ARG CB C 29.601 0.2 1 375 38 38 ARG CD C 42.861 0.001 1 376 38 38 ARG CG C 27.439 0.001 1 377 38 38 ARG N N 122.992 0.2 1 378 38 38 ARG NE N 83.894 0.2 1 379 39 39 VAL H H 8.635 0.02 1 380 39 39 VAL HA H 4.358 0.02 1 381 39 39 VAL HB H 1.392 0.02 1 382 39 39 VAL HG1 H 0.304 0.02 1 383 39 39 VAL HG2 H -0.886 0.02 1 384 39 39 VAL C C 172.241 0.2 1 385 39 39 VAL CA C 58.334 0.2 1 386 39 39 VAL CB C 35.214 0.2 1 387 39 39 VAL CG1 C 21.956 0.2 1 388 39 39 VAL CG2 C 16.922 0.2 1 389 39 39 VAL N N 118.388 0.2 1 390 40 40 SER H H 6.388 0.02 1 391 40 40 SER HA H 4.325 0.02 1 392 40 40 SER HB2 H 3.864 0.02 1 393 40 40 SER HB3 H 3.585 0.02 1 394 40 40 SER C C 175.046 0.2 1 395 40 40 SER CA C 56.216 0.2 1 396 40 40 SER CB C 65.650 0.002 1 397 40 40 SER N N 108.799 0.2 1 398 41 41 GLY H H 9.085 0.02 1 399 41 41 GLY HA2 H 3.850 0.02 1 400 41 41 GLY HA3 H 4.321 0.02 1 401 41 41 GLY C C 173.137 0.2 1 402 41 41 GLY CA C 47.346 0.2 1 403 41 41 GLY N N 107.767 0.2 1 404 42 42 ASP H H 7.994 0.02 1 405 42 42 ASP HA H 4.498 0.02 1 406 42 42 ASP HB2 H 2.691 0.02 1 407 42 42 ASP HB3 H 2.593 0.02 1 408 42 42 ASP C C 175.609 0.2 1 409 42 42 ASP CA C 53.241 0.2 1 410 42 42 ASP CB C 40.331 0.005 1 411 42 42 ASP N N 112.956 0.2 1 412 43 43 LEU H H 7.431 0.02 1 413 43 43 LEU HA H 4.210 0.02 1 414 43 43 LEU HB2 H 1.413 0.02 1 415 43 43 LEU HB3 H 1.703 0.02 1 416 43 43 LEU HD1 H 0.880 0.02 1 417 43 43 LEU HD2 H 0.617 0.02 1 418 43 43 LEU HG H 1.817 0.02 1 419 43 43 LEU C C 175.552 0.2 1 420 43 43 LEU CA C 55.199 0.2 1 421 43 43 LEU CB C 42.398 0.001 1 422 43 43 LEU CD1 C 23.341 0.2 1 423 43 43 LEU CD2 C 26.925 0.2 1 424 43 43 LEU CG C 25.794 0.2 1 425 43 43 LEU N N 123.293 0.2 1 426 44 44 HIS H H 8.405 0.02 1 427 44 44 HIS HA H 5.154 0.02 1 428 44 44 HIS HB2 H 3.055 0.02 1 429 44 44 HIS HB3 H 3.278 0.02 1 430 44 44 HIS HD2 H 7.125 0.02 1 431 44 44 HIS HE1 H 7.802 0.02 1 432 44 44 HIS C C 177.511 0.2 1 433 44 44 HIS CA C 54.692 0.2 1 434 44 44 HIS CB C 30.868 0.016 1 435 44 44 HIS CD2 C 118.675 0.2 1 436 44 44 HIS CE1 C 139.743 0.2 1 437 44 44 HIS N N 121.975 0.2 1 438 45 45 ILE H H 8.628 0.02 1 439 45 45 ILE HA H 3.445 0.02 1 440 45 45 ILE HB H 2.239 0.02 1 441 45 45 ILE HD1 H 0.627 0.02 1 442 45 45 ILE HG12 H 1.662 0.02 1 443 45 45 ILE HG13 H 1.300 0.02 1 444 45 45 ILE HG2 H 0.798 0.02 1 445 45 45 ILE C C 179.116 0.2 1 446 45 45 ILE CA C 62.585 0.2 1 447 45 45 ILE CB C 35.492 0.2 1 448 45 45 ILE CD1 C 9.636 0.2 1 449 45 45 ILE CG1 C 27.587 0.003 1 450 45 45 ILE CG2 C 17.488 0.2 1 451 45 45 ILE N N 124.304 0.2 1 452 46 46 GLY H H 9.792 0.02 1 453 46 46 GLY HA2 H 3.916 0.02 1 454 46 46 GLY HA3 H 3.901 0.02 1 455 46 46 GLY C C 175.742 0.2 1 456 46 46 GLY CA C 46.812 0.2 1 457 46 46 GLY N N 106.610 0.2 1 458 47 47 GLY H H 6.761 0.02 1 459 47 47 GLY HA2 H 3.739 0.02 1 460 47 47 GLY HA3 H 3.294 0.02 1 461 47 47 GLY C C 176.182 0.2 1 462 47 47 GLY CA C 46.819 0.001 1 463 47 47 GLY N N 109.580 0.2 1 464 48 48 VAL H H 7.669 0.02 1 465 48 48 VAL HA H 3.083 0.02 1 466 48 48 VAL HB H 2.198 0.02 1 467 48 48 VAL HG1 H 0.422 0.02 1 468 48 48 VAL HG2 H 0.687 0.02 1 469 48 48 VAL C C 176.849 0.2 1 470 48 48 VAL CA C 66.775 0.2 1 471 48 48 VAL CB C 30.944 0.2 1 472 48 48 VAL CG1 C 20.955 0.2 1 473 48 48 VAL CG2 C 23.120 0.2 1 474 48 48 VAL N N 123.461 0.2 1 475 49 49 MET H H 7.632 0.02 1 476 49 49 MET HA H 3.143 0.02 1 477 49 49 MET HB2 H 2.184 0.02 1 478 49 49 MET HB3 H 2.114 0.02 1 479 49 49 MET HE H 2.350 0.02 1 480 49 49 MET HG2 H 2.641 0.02 1 481 49 49 MET HG3 H 2.168 0.02 1 482 49 49 MET C C 176.774 0.2 1 483 49 49 MET CA C 59.972 0.2 1 484 49 49 MET CB C 33.142 0.004 1 485 49 49 MET CE C 15.989 0.2 1 486 49 49 MET CG C 31.099 0.008 1 487 49 49 MET N N 115.691 0.2 1 488 50 50 LEU H H 7.535 0.02 1 489 50 50 LEU HA H 3.821 0.02 1 490 50 50 LEU HB2 H 1.611 0.02 1 491 50 50 LEU HB3 H 1.507 0.02 1 492 50 50 LEU HD1 H 0.790 0.02 1 493 50 50 LEU HD2 H 0.811 0.02 1 494 50 50 LEU HG H 1.601 0.02 1 495 50 50 LEU C C 179.001 0.2 1 496 50 50 LEU CA C 57.910 0.2 1 497 50 50 LEU CB C 41.821 0.007 1 498 50 50 LEU CD1 C 23.839 0.2 1 499 50 50 LEU CD2 C 24.488 0.2 1 500 50 50 LEU CG C 26.647 0.2 1 501 50 50 LEU N N 117.445 0.2 1 502 51 51 LYS H H 7.447 0.02 1 503 51 51 LYS HA H 3.880 0.02 1 504 51 51 LYS HB2 H 1.619 0.02 1 505 51 51 LYS HB3 H 1.691 0.02 1 506 51 51 LYS HD2 H 1.388 0.02 1 507 51 51 LYS HD3 H 1.485 0.02 1 508 51 51 LYS HE2 H 2.903 0.02 1 509 51 51 LYS HE3 H 2.795 0.02 1 510 51 51 LYS HG2 H 1.393 0.02 1 511 51 51 LYS HG3 H 1.474 0.02 1 512 51 51 LYS C C 178.975 0.2 1 513 51 51 LYS CA C 59.003 0.2 1 514 51 51 LYS CB C 32.890 0.004 1 515 51 51 LYS CD C 29.089 0.005 1 516 51 51 LYS CE C 41.911 0.2 1 517 51 51 LYS CG C 25.524 0.006 1 518 51 51 LYS N N 118.306 0.2 1 519 52 52 LEU H H 7.547 0.02 1 520 52 52 LEU HA H 3.523 0.02 1 521 52 52 LEU HB2 H 1.335 0.02 1 522 52 52 LEU HB3 H 0.637 0.02 1 523 52 52 LEU HD1 H 0.286 0.02 1 524 52 52 LEU HD2 H -0.038 0.02 1 525 52 52 LEU HG H 1.385 0.02 1 526 52 52 LEU C C 177.676 0.2 1 527 52 52 LEU CA C 58.038 0.2 1 528 52 52 LEU CB C 41.660 0.001 1 529 52 52 LEU CD1 C 23.600 0.2 1 530 52 52 LEU CD2 C 26.422 0.2 1 531 52 52 LEU CG C 25.732 0.2 1 532 52 52 LEU N N 119.198 0.2 1 533 53 53 VAL H H 7.368 0.02 1 534 53 53 VAL HA H 2.469 0.02 1 535 53 53 VAL HB H 1.649 0.02 1 536 53 53 VAL HG1 H 0.249 0.02 1 537 53 53 VAL HG2 H 0.219 0.02 1 538 53 53 VAL C C 179.189 0.2 1 539 53 53 VAL CA C 66.706 0.2 1 540 53 53 VAL CB C 31.343 0.2 1 541 53 53 VAL CG1 C 20.124 0.2 1 542 53 53 VAL CG2 C 21.270 0.2 1 543 53 53 VAL N N 117.879 0.2 1 544 54 54 GLU H H 7.966 0.02 1 545 54 54 GLU HA H 3.865 0.02 1 546 54 54 GLU HB2 H 2.009 0.02 1 547 54 54 GLU HB3 H 1.909 0.02 1 548 54 54 GLU HG2 H 2.062 0.02 1 549 54 54 GLU HG3 H 2.293 0.02 1 550 54 54 GLU C C 178.593 0.2 1 551 54 54 GLU CA C 58.935 0.2 1 552 54 54 GLU CB C 29.772 0.2 1 553 54 54 GLU CG C 36.375 0.001 1 554 54 54 GLU N N 119.295 0.2 1 555 55 55 GLN H H 7.651 0.02 1 556 55 55 GLN HA H 4.005 0.02 1 557 55 55 GLN HB2 H 2.062 0.02 1 558 55 55 GLN HB3 H 1.942 0.02 1 559 55 55 GLN HE21 H 7.414 0.02 1 560 55 55 GLN HE22 H 6.698 0.02 1 561 55 55 GLN HG2 H 2.356 0.02 1 562 55 55 GLN HG3 H 2.291 0.02 1 563 55 55 GLN C C 177.512 0.2 1 564 55 55 GLN CA C 57.362 0.2 1 565 55 55 GLN CB C 28.938 0.001 1 566 55 55 GLN CG C 34.307 0.004 1 567 55 55 GLN N N 116.036 0.2 1 568 55 55 GLN NE2 N 111.821 0.001 1 569 56 56 MET H H 7.691 0.02 1 570 56 56 MET HA H 4.316 0.02 1 571 56 56 MET HB2 H 2.119 0.02 1 572 56 56 MET HB3 H 1.977 0.02 1 573 56 56 MET HE H 1.741 0.02 1 574 56 56 MET HG2 H 2.514 0.02 1 575 56 56 MET HG3 H 2.489 0.02 1 576 56 56 MET C C 176.572 0.2 1 577 56 56 MET CA C 56.492 0.2 1 578 56 56 MET CB C 32.901 0.003 1 579 56 56 MET CE C 16.585 0.2 1 580 56 56 MET CG C 32.495 0.004 1 581 56 56 MET N N 117.664 0.2 1 582 57 57 ASN H H 7.816 0.02 1 583 57 57 ASN HA H 4.495 0.02 1 584 57 57 ASN HB2 H 3.077 0.02 1 585 57 57 ASN HB3 H 2.465 0.02 1 586 57 57 ASN HD21 H 7.515 0.02 1 587 57 57 ASN HD22 H 6.702 0.02 1 588 57 57 ASN C C 174.613 0.2 1 589 57 57 ASN CA C 53.813 0.2 1 590 57 57 ASN CB C 37.713 0.2 1 591 57 57 ASN N N 115.864 0.2 1 592 57 57 ASN ND2 N 111.399 0.003 1 593 58 58 ILE H H 8.391 0.02 1 594 58 58 ILE HA H 4.284 0.02 1 595 58 58 ILE HB H 1.706 0.02 1 596 58 58 ILE HD1 H 0.700 0.02 1 597 58 58 ILE HG12 H 0.973 0.02 1 598 58 58 ILE HG13 H 1.497 0.02 1 599 58 58 ILE HG2 H 0.707 0.02 1 600 58 58 ILE C C 175.277 0.2 1 601 58 58 ILE CA C 60.631 0.2 1 602 58 58 ILE CB C 41.470 0.2 1 603 58 58 ILE CD1 C 13.693 0.2 1 604 58 58 ILE CG1 C 26.803 0.2 1 605 58 58 ILE CG2 C 17.543 0.2 1 606 58 58 ILE N N 117.760 0.2 1 607 59 59 ALA H H 8.438 0.02 1 608 59 59 ALA HA H 4.535 0.02 1 609 59 59 ALA HB H 1.242 0.02 1 610 59 59 ALA C C 175.554 0.2 1 611 59 59 ALA CA C 51.604 0.2 1 612 59 59 ALA CB C 17.256 0.2 1 613 59 59 ALA N N 129.371 0.2 1 614 60 60 GLN H H 7.498 0.02 1 615 60 60 GLN HA H 4.291 0.02 1 616 60 60 GLN HB2 H 1.367 0.02 1 617 60 60 GLN HB3 H 1.455 0.02 1 618 60 60 GLN HE21 H 5.766 0.02 1 619 60 60 GLN HE22 H 4.212 0.02 1 620 60 60 GLN HG2 H 0.365 0.02 1 621 60 60 GLN HG3 H 1.131 0.02 1 622 60 60 GLN C C 172.908 0.2 1 623 60 60 GLN CA C 53.492 0.2 1 624 60 60 GLN CB C 30.340 0.008 1 625 60 60 GLN CG C 30.591 0.009 1 626 60 60 GLN N N 120.550 0.2 1 627 60 60 GLN NE2 N 107.435 0.002 1 628 61 61 ASP H H 8.086 0.02 1 629 61 61 ASP HA H 4.622 0.02 1 630 61 61 ASP HB2 H 2.729 0.02 1 631 61 61 ASP HB3 H 2.531 0.02 1 632 61 61 ASP C C 177.529 0.2 1 633 61 61 ASP CA C 53.520 0.2 1 634 61 61 ASP CB C 40.493 0.005 1 635 61 61 ASP N N 118.225 0.2 1 636 62 62 TRP H H 8.999 0.02 1 637 62 62 TRP HA H 4.578 0.02 1 638 62 62 TRP HB2 H 3.315 0.02 1 639 62 62 TRP HB3 H 2.891 0.02 1 640 62 62 TRP HD1 H 7.319 0.02 1 641 62 62 TRP HE1 H 10.057 0.02 1 642 62 62 TRP HE3 H 5.740 0.02 1 643 62 62 TRP HH2 H 6.872 0.02 1 644 62 62 TRP HZ2 H 7.338 0.02 1 645 62 62 TRP HZ3 H 6.266 0.02 1 646 62 62 TRP C C 178.609 0.2 1 647 62 62 TRP CA C 57.200 0.2 1 648 62 62 TRP CB C 29.155 0.003 1 649 62 62 TRP CD1 C 130.513 0.2 1 650 62 62 TRP CE3 C 120.461 0.2 1 651 62 62 TRP CH2 C 123.407 0.2 1 652 62 62 TRP CZ2 C 114.511 0.2 1 653 62 62 TRP CZ3 C 121.785 0.2 1 654 62 62 TRP N N 129.134 0.2 1 655 62 62 TRP NE1 N 129.579 0.2 1 656 63 63 SER H H 8.756 0.02 1 657 63 63 SER HA H 4.127 0.02 1 658 63 63 SER HB2 H 3.922 0.02 1 659 63 63 SER HB3 H 4.018 0.02 1 660 63 63 SER C C 175.119 0.2 1 661 63 63 SER CA C 62.933 0.2 1 662 63 63 SER CB C 63.120 0.2 1 663 63 63 SER N N 119.231 0.2 1 664 64 64 ASP H H 9.095 0.02 1 665 64 64 ASP HA H 4.876 0.02 1 666 64 64 ASP HB2 H 2.516 0.02 1 667 64 64 ASP HB3 H 2.408 0.02 1 668 64 64 ASP C C 177.267 0.2 1 669 64 64 ASP CA C 54.157 0.2 1 670 64 64 ASP CB C 43.116 0.2 1 671 64 64 ASP N N 120.137 0.2 1 672 65 65 TYR H H 7.991 0.02 1 673 65 65 TYR HA H 4.151 0.02 1 674 65 65 TYR HB2 H 2.941 0.02 1 675 65 65 TYR HB3 H 1.204 0.02 1 676 65 65 TYR HD1 H 7.026 0.02 3 677 65 65 TYR HD2 H 7.026 0.02 3 678 65 65 TYR HE1 H 7.013 0.02 3 679 65 65 TYR HE2 H 7.013 0.02 3 680 65 65 TYR C C 175.746 0.2 1 681 65 65 TYR CA C 59.053 0.2 1 682 65 65 TYR CB C 38.836 0.002 1 683 65 65 TYR CD1 C 130.482 0.2 3 684 65 65 TYR CD2 C 130.482 0.2 3 685 65 65 TYR CE1 C 122.899 0.2 3 686 65 65 TYR CE2 C 122.899 0.2 3 687 65 65 TYR N N 121.458 0.2 1 688 66 66 ALA H H 8.698 0.02 1 689 66 66 ALA HA H 4.794 0.02 1 690 66 66 ALA HB H 1.425 0.02 1 691 66 66 ALA C C 175.126 0.2 1 692 66 66 ALA CA C 51.166 0.2 1 693 66 66 ALA CB C 23.771 0.2 1 694 66 66 ALA N N 122.944 0.2 1 695 67 67 LEU H H 9.131 0.02 1 696 67 67 LEU HA H 5.498 0.02 1 697 67 67 LEU HB2 H 2.137 0.02 1 698 67 67 LEU HB3 H 1.146 0.02 1 699 67 67 LEU HD1 H 0.691 0.02 1 700 67 67 LEU HD2 H 0.763 0.02 1 701 67 67 LEU HG H 1.719 0.02 1 702 67 67 LEU C C 174.489 0.2 1 703 67 67 LEU CA C 53.987 0.2 1 704 67 67 LEU CB C 44.080 0.006 1 705 67 67 LEU CD1 C 24.144 0.2 1 706 67 67 LEU CD2 C 25.982 0.2 1 707 67 67 LEU CG C 26.996 0.2 1 708 67 67 LEU N N 118.646 0.2 1 709 68 68 TRP H H 9.934 0.02 1 710 68 68 TRP HA H 4.680 0.02 1 711 68 68 TRP HB2 H 2.005 0.02 1 712 68 68 TRP HB3 H 2.770 0.02 1 713 68 68 TRP HD1 H 6.617 0.02 1 714 68 68 TRP HE1 H 9.933 0.02 1 715 68 68 TRP HE3 H 5.068 0.02 1 716 68 68 TRP HH2 H 6.675 0.02 1 717 68 68 TRP HZ2 H 6.973 0.02 1 718 68 68 TRP HZ3 H 6.260 0.02 1 719 68 68 TRP C C 174.148 0.2 1 720 68 68 TRP CA C 55.276 0.2 1 721 68 68 TRP CB C 30.222 0.021 1 722 68 68 TRP CD1 C 127.067 0.2 1 723 68 68 TRP CE3 C 121.397 0.2 1 724 68 68 TRP CH2 C 124.124 0.2 1 725 68 68 TRP CZ2 C 113.132 0.2 1 726 68 68 TRP CZ3 C 120.851 0.2 1 727 68 68 TRP N N 126.978 0.2 1 728 68 68 TRP NE1 N 128.740 0.2 1 729 69 69 TRP H H 8.507 0.02 1 730 69 69 TRP HA H 5.060 0.02 1 731 69 69 TRP HB2 H 2.395 0.02 1 732 69 69 TRP HB3 H 3.387 0.02 1 733 69 69 TRP HD1 H 7.343 0.02 1 734 69 69 TRP HE1 H 9.870 0.02 1 735 69 69 TRP HE3 H 7.056 0.02 1 736 69 69 TRP HH2 H 7.003 0.02 1 737 69 69 TRP HZ2 H 7.327 0.02 1 738 69 69 TRP HZ3 H 6.989 0.02 1 739 69 69 TRP C C 175.837 0.2 1 740 69 69 TRP CA C 52.520 0.2 1 741 69 69 TRP CB C 30.500 0.001 1 742 69 69 TRP CD1 C 121.901 0.2 1 743 69 69 TRP CE3 C 120.916 0.2 1 744 69 69 TRP CH2 C 122.909 0.2 1 745 69 69 TRP CZ2 C 114.420 0.2 1 746 69 69 TRP CZ3 C 126.605 0.2 1 747 69 69 TRP N N 129.756 0.2 1 748 69 69 TRP NE1 N 126.776 0.2 1 749 70 70 GLU H H 8.917 0.02 1 750 70 70 GLU HA H 3.817 0.02 1 751 70 70 GLU HB2 H 2.139 0.02 1 752 70 70 GLU HB3 H 2.071 0.02 1 753 70 70 GLU HG2 H 2.285 0.02 1 754 70 70 GLU HG3 H 2.285 0.02 1 755 70 70 GLU C C 179.449 0.2 1 756 70 70 GLU CA C 60.208 0.2 1 757 70 70 GLU CB C 29.937 0.2 1 758 70 70 GLU CG C 35.468 0.2 1 759 70 70 GLU N N 126.517 0.2 1 760 71 71 GLN H H 8.515 0.02 1 761 71 71 GLN HA H 3.782 0.02 1 762 71 71 GLN HB2 H 1.756 0.02 1 763 71 71 GLN HB3 H 1.674 0.02 1 764 71 71 GLN HE21 H 7.603 0.02 1 765 71 71 GLN HE22 H 7.050 0.02 1 766 71 71 GLN HG2 H 2.742 0.02 1 767 71 71 GLN HG3 H 2.464 0.02 1 768 71 71 GLN C C 177.266 0.2 1 769 71 71 GLN CA C 61.006 0.2 1 770 71 71 GLN CB C 27.451 0.005 1 771 71 71 GLN CG C 35.193 0.2 1 772 71 71 GLN N N 114.822 0.2 1 773 71 71 GLN NE2 N 112.453 0.2 1 774 72 72 LYS H H 5.086 0.02 1 775 72 72 LYS HA H 3.719 0.02 1 776 72 72 LYS HB2 H 1.148 0.02 1 777 72 72 LYS HB3 H 0.104 0.02 1 778 72 72 LYS HD2 H 0.751 0.02 1 779 72 72 LYS HD3 H 0.661 0.02 1 780 72 72 LYS HE2 H 2.448 0.02 1 781 72 72 LYS HE3 H 2.394 0.02 1 782 72 72 LYS HG2 H -0.305 0.02 1 783 72 72 LYS HG3 H -0.404 0.02 1 784 72 72 LYS C C 174.268 0.2 1 785 72 72 LYS CA C 53.864 0.2 1 786 72 72 LYS CB C 33.242 0.002 1 787 72 72 LYS CD C 27.526 0.008 1 788 72 72 LYS CE C 42.070 0.001 1 789 72 72 LYS CG C 23.439 0.001 1 790 72 72 LYS N N 112.499 0.2 1 791 73 73 ARG H H 7.402 0.02 1 792 73 73 ARG HA H 2.800 0.02 1 793 73 73 ARG HB2 H 1.774 0.02 1 794 73 73 ARG HB3 H 1.710 0.02 1 795 73 73 ARG HD2 H 3.164 0.02 1 796 73 73 ARG HD3 H 3.201 0.02 1 797 73 73 ARG HE H 7.202 0.02 1 798 73 73 ARG HG2 H 1.490 0.02 1 799 73 73 ARG HG3 H 1.563 0.02 1 800 73 73 ARG C C 173.935 0.2 1 801 73 73 ARG CA C 56.187 0.2 1 802 73 73 ARG CB C 26.602 0.005 1 803 73 73 ARG CD C 43.464 0.001 1 804 73 73 ARG CG C 27.217 0.2 1 805 73 73 ARG N N 118.477 0.2 1 806 73 73 ARG NE N 84.911 0.2 1 807 74 74 CYS H H 6.242 0.02 1 808 74 74 CYS HA H 4.671 0.02 1 809 74 74 CYS HB2 H 3.032 0.02 1 810 74 74 CYS HB3 H 2.500 0.02 1 811 74 74 CYS C C 171.332 0.2 1 812 74 74 CYS CA C 54.443 0.2 1 813 74 74 CYS CB C 31.599 0.015 1 814 74 74 CYS N N 110.705 0.2 1 815 75 75 TRP H H 8.567 0.02 1 816 75 75 TRP HA H 5.414 0.02 1 817 75 75 TRP HB2 H 3.148 0.02 1 818 75 75 TRP HB3 H 3.059 0.02 1 819 75 75 TRP HD1 H 7.529 0.02 1 820 75 75 TRP HE1 H 10.132 0.02 1 821 75 75 TRP HE3 H 7.552 0.02 1 822 75 75 TRP HH2 H 6.785 0.02 1 823 75 75 TRP HZ2 H 7.165 0.02 1 824 75 75 TRP HZ3 H 7.135 0.02 1 825 75 75 TRP C C 177.638 0.2 1 826 75 75 TRP CA C 55.720 0.2 1 827 75 75 TRP CB C 30.966 0.003 1 828 75 75 TRP CD1 C 128.421 0.2 1 829 75 75 TRP CE3 C 121.241 0.2 1 830 75 75 TRP CH2 C 125.546 0.2 1 831 75 75 TRP CZ2 C 114.935 0.2 1 832 75 75 TRP CZ3 C 123.775 0.2 1 833 75 75 TRP N N 120.876 0.2 1 834 75 75 TRP NE1 N 130.222 0.2 1 835 76 76 LEU H H 9.181 0.02 1 836 76 76 LEU HA H 4.737 0.02 1 837 76 76 LEU HB2 H 1.938 0.02 1 838 76 76 LEU HB3 H 1.451 0.02 1 839 76 76 LEU HD1 H 1.035 0.02 1 840 76 76 LEU HD2 H 0.642 0.02 1 841 76 76 LEU HG H 1.614 0.02 1 842 76 76 LEU C C 175.745 0.2 1 843 76 76 LEU CA C 53.729 0.2 1 844 76 76 LEU CB C 40.810 0.008 1 845 76 76 LEU CD1 C 23.600 0.2 1 846 76 76 LEU CD2 C 26.670 0.2 1 847 76 76 LEU CG C 26.707 0.2 1 848 76 76 LEU N N 125.488 0.2 1 849 77 77 LEU H H 7.711 0.02 1 850 77 77 LEU HA H 4.416 0.02 1 851 77 77 LEU HB2 H 1.646 0.02 1 852 77 77 LEU HB3 H 1.591 0.02 1 853 77 77 LEU HD1 H 0.813 0.02 1 854 77 77 LEU HD2 H 0.700 0.02 1 855 77 77 LEU HG H 1.570 0.02 1 856 77 77 LEU C C 178.257 0.2 1 857 77 77 LEU CA C 54.539 0.2 1 858 77 77 LEU CB C 42.566 0.002 1 859 77 77 LEU CD1 C 25.178 0.2 1 860 77 77 LEU CD2 C 22.232 0.2 1 861 77 77 LEU CG C 26.900 0.2 1 862 77 77 LEU N N 119.493 0.2 1 863 78 78 LYS H H 8.173 0.02 1 864 78 78 LYS HA H 4.380 0.02 1 865 78 78 LYS HB2 H 1.012 0.02 1 866 78 78 LYS HB3 H 0.277 0.02 1 867 78 78 LYS HD2 H 0.843 0.02 1 868 78 78 LYS HD3 H 0.474 0.02 1 869 78 78 LYS HE2 H 2.552 0.02 1 870 78 78 LYS HE3 H 2.552 0.02 1 871 78 78 LYS HG2 H 0.355 0.02 1 872 78 78 LYS HG3 H 0.737 0.02 1 873 78 78 LYS C C 177.029 0.2 1 874 78 78 LYS CA C 54.048 0.2 1 875 78 78 LYS CB C 28.755 0.003 1 876 78 78 LYS CD C 28.341 0.001 1 877 78 78 LYS CE C 42.195 0.2 1 878 78 78 LYS CG C 23.406 0.001 1 879 78 78 LYS N N 121.730 0.2 1 880 79 79 THR H H 7.812 0.02 1 881 79 79 THR HA H 3.677 0.02 1 882 79 79 THR HB H 4.113 0.02 1 883 79 79 THR HG2 H 1.247 0.02 1 884 79 79 THR C C 175.193 0.2 1 885 79 79 THR CA C 64.890 0.2 1 886 79 79 THR CB C 68.447 0.2 1 887 79 79 THR CG2 C 22.455 0.2 1 888 79 79 THR N N 114.142 0.2 1 889 80 80 HIS H H 8.929 0.02 1 890 80 80 HIS HA H 4.759 0.02 1 891 80 80 HIS HB2 H 3.254 0.02 1 892 80 80 HIS HB3 H 3.077 0.02 1 893 80 80 HIS C C 175.622 0.2 1 894 80 80 HIS CA C 56.078 0.2 1 895 80 80 HIS CB C 29.927 0.011 1 896 80 80 HIS N N 117.372 0.2 1 897 81 81 TRP H H 8.544 0.02 1 898 81 81 TRP HA H 4.906 0.02 1 899 81 81 TRP HB2 H 3.122 0.02 1 900 81 81 TRP HB3 H 3.058 0.02 1 901 81 81 TRP HD1 H 6.263 0.02 1 902 81 81 TRP HE1 H 10.185 0.02 1 903 81 81 TRP HE3 H 7.800 0.02 1 904 81 81 TRP HH2 H 7.249 0.02 1 905 81 81 TRP HZ2 H 7.521 0.02 1 906 81 81 TRP HZ3 H 7.163 0.02 1 907 81 81 TRP C C 175.952 0.2 1 908 81 81 TRP CA C 56.009 0.2 1 909 81 81 TRP CB C 30.999 0.005 1 910 81 81 TRP CD1 C 123.417 0.2 1 911 81 81 TRP CE3 C 122.116 0.2 1 912 81 81 TRP CH2 C 125.256 0.2 1 913 81 81 TRP CZ2 C 114.914 0.2 1 914 81 81 TRP CZ3 C 122.300 0.2 1 915 81 81 TRP N N 122.512 0.2 1 916 81 81 TRP NE1 N 127.971 0.2 1 917 82 82 THR H H 7.587 0.02 1 918 82 82 THR HA H 4.725 0.02 1 919 82 82 THR HB H 5.030 0.02 1 920 82 82 THR HG2 H 1.203 0.02 1 921 82 82 THR C C 176.305 0.2 1 922 82 82 THR CA C 60.250 0.2 1 923 82 82 THR CB C 70.601 0.2 1 924 82 82 THR CG2 C 22.387 0.2 1 925 82 82 THR N N 109.728 0.2 1 926 83 83 LEU H H 8.354 0.02 1 927 83 83 LEU HA H 3.798 0.02 1 928 83 83 LEU HB2 H 2.041 0.02 1 929 83 83 LEU HB3 H 1.595 0.02 1 930 83 83 LEU HD1 H 0.510 0.02 1 931 83 83 LEU HD2 H 0.577 0.02 1 932 83 83 LEU C C 179.461 0.2 1 933 83 83 LEU CA C 59.442 0.2 1 934 83 83 LEU CB C 40.758 0.001 1 935 83 83 LEU CD1 C 22.465 0.2 1 936 83 83 LEU CD2 C 26.004 0.2 1 937 83 83 LEU N N 122.120 0.2 1 938 84 84 ASP H H 8.985 0.02 1 939 84 84 ASP HA H 4.427 0.02 1 940 84 84 ASP HB2 H 2.433 0.02 1 941 84 84 ASP HB3 H 2.433 0.02 1 942 84 84 ASP C C 179.464 0.2 1 943 84 84 ASP CA C 57.459 0.2 1 944 84 84 ASP CB C 40.243 0.2 1 945 84 84 ASP N N 118.020 0.2 1 946 85 85 LYS H H 8.134 0.02 1 947 85 85 LYS HA H 3.820 0.02 1 948 85 85 LYS HB2 H 1.670 0.02 1 949 85 85 LYS HB3 H 1.742 0.02 1 950 85 85 LYS HD2 H 1.147 0.02 1 951 85 85 LYS HD3 H 0.676 0.02 1 952 85 85 LYS HE2 H 1.722 0.02 1 953 85 85 LYS HE3 H 1.710 0.02 1 954 85 85 LYS HG2 H 0.851 0.02 1 955 85 85 LYS HG3 H 0.595 0.02 1 956 85 85 LYS C C 178.824 0.2 1 957 85 85 LYS CA C 59.103 0.2 1 958 85 85 LYS CB C 32.229 0.2 1 959 85 85 LYS CD C 28.729 0.001 1 960 85 85 LYS CE C 41.379 0.2 1 961 85 85 LYS CG C 24.817 0.003 1 962 85 85 LYS N N 123.380 0.2 1 963 86 86 CYS H H 8.083 0.02 1 964 86 86 CYS HA H 4.439 0.02 1 965 86 86 CYS HB2 H 3.105 0.02 1 966 86 86 CYS HB3 H 2.921 0.02 1 967 86 86 CYS C C 174.621 0.2 1 968 86 86 CYS CA C 61.800 0.2 1 969 86 86 CYS CB C 28.700 0.011 1 970 86 86 CYS N N 113.734 0.2 1 971 87 87 GLY H H 7.904 0.02 1 972 87 87 GLY HA2 H 4.254 0.02 1 973 87 87 GLY HA3 H 3.818 0.02 1 974 87 87 GLY C C 174.471 0.2 1 975 87 87 GLY CA C 45.434 0.024 1 976 87 87 GLY N N 107.243 0.2 1 977 88 88 VAL H H 7.635 0.02 1 978 88 88 VAL HA H 3.165 0.02 1 979 88 88 VAL HB H 1.629 0.02 1 980 88 88 VAL HG1 H -0.187 0.02 1 981 88 88 VAL HG2 H 0.451 0.02 1 982 88 88 VAL C C 173.926 0.2 1 983 88 88 VAL CA C 63.281 0.2 1 984 88 88 VAL CB C 31.892 0.2 1 985 88 88 VAL CG1 C 20.977 0.2 1 986 88 88 VAL CG2 C 22.042 0.2 1 987 88 88 VAL N N 122.351 0.2 1 988 89 89 GLN H H 7.651 0.02 1 989 89 89 GLN HA H 3.946 0.02 1 990 89 89 GLN HB2 H 1.799 0.02 1 991 89 89 GLN HB3 H 1.799 0.02 1 992 89 89 GLN HE21 H 7.388 0.02 1 993 89 89 GLN HE22 H 6.604 0.02 1 994 89 89 GLN HG2 H 2.045 0.02 1 995 89 89 GLN HG3 H 2.000 0.02 1 996 89 89 GLN C C 175.629 0.2 1 997 89 89 GLN CA C 53.861 0.2 1 998 89 89 GLN CB C 31.010 0.2 1 999 89 89 GLN CG C 34.077 0.001 1 1000 89 89 GLN N N 125.820 0.2 1 1001 89 89 GLN NE2 N 112.339 0.001 1 1002 90 90 ALA H H 7.025 0.02 1 1003 90 90 ALA HA H 3.873 0.02 1 1004 90 90 ALA HB H 1.169 0.02 1 1005 90 90 ALA C C 177.042 0.2 1 1006 90 90 ALA CA C 54.869 0.2 1 1007 90 90 ALA CB C 18.818 0.2 1 1008 90 90 ALA N N 118.713 0.2 1 1009 91 91 ASP H H 8.310 0.02 1 1010 91 91 ASP HA H 4.415 0.02 1 1011 91 91 ASP HB2 H 2.745 0.02 1 1012 91 91 ASP HB3 H 2.473 0.02 1 1013 91 91 ASP C C 176.371 0.2 1 1014 91 91 ASP CA C 53.133 0.2 1 1015 91 91 ASP CB C 39.673 0.004 1 1016 91 91 ASP N N 113.050 0.2 1 1017 92 92 ALA H H 7.831 0.02 1 1018 92 92 ALA HA H 4.237 0.02 1 1019 92 92 ALA HB H 1.122 0.02 1 1020 92 92 ALA C C 176.536 0.2 1 1021 92 92 ALA CA C 53.721 0.2 1 1022 92 92 ALA CB C 19.774 0.2 1 1023 92 92 ALA N N 124.114 0.2 1 1024 93 93 ASN H H 9.478 0.02 1 1025 93 93 ASN HA H 5.141 0.02 1 1026 93 93 ASN HB2 H 2.800 0.02 1 1027 93 93 ASN HB3 H 3.014 0.02 1 1028 93 93 ASN HD21 H 7.573 0.02 1 1029 93 93 ASN HD22 H 6.812 0.02 1 1030 93 93 ASN C C 173.906 0.2 1 1031 93 93 ASN CA C 52.433 0.2 1 1032 93 93 ASN CB C 38.547 0.2 1 1033 93 93 ASN N N 123.235 0.2 1 1034 93 93 ASN ND2 N 110.889 0.2 1 1035 94 94 LEU H H 8.675 0.02 1 1036 94 94 LEU HA H 5.429 0.02 1 1037 94 94 LEU HB2 H 1.863 0.02 1 1038 94 94 LEU HB3 H 1.137 0.02 1 1039 94 94 LEU HD1 H 0.322 0.02 1 1040 94 94 LEU HD2 H 0.522 0.02 1 1041 94 94 LEU HG H 1.404 0.02 1 1042 94 94 LEU C C 175.486 0.2 1 1043 94 94 LEU CA C 53.003 0.2 1 1044 94 94 LEU CB C 44.739 0.002 1 1045 94 94 LEU CD1 C 23.019 0.2 1 1046 94 94 LEU CD2 C 26.111 0.2 1 1047 94 94 LEU CG C 26.742 0.2 1 1048 94 94 LEU N N 122.901 0.2 1 1049 95 95 LEU H H 9.412 0.02 1 1050 95 95 LEU HA H 5.388 0.02 1 1051 95 95 LEU HB2 H 1.987 0.02 1 1052 95 95 LEU HB3 H 1.628 0.02 1 1053 95 95 LEU HD1 H 0.860 0.02 1 1054 95 95 LEU HD2 H 0.820 0.02 1 1055 95 95 LEU HG H 1.405 0.02 1 1056 95 95 LEU C C 174.403 0.2 1 1057 95 95 LEU CA C 53.155 0.2 1 1058 95 95 LEU CB C 46.432 0.002 1 1059 95 95 LEU CD1 C 23.606 0.2 1 1060 95 95 LEU CD2 C 26.312 0.2 1 1061 95 95 LEU CG C 28.146 0.2 1 1062 95 95 LEU N N 126.034 0.2 1 1063 96 96 PHE H H 9.785 0.02 1 1064 96 96 PHE HA H 5.817 0.02 1 1065 96 96 PHE HB2 H 2.641 0.02 1 1066 96 96 PHE HB3 H 3.393 0.02 1 1067 96 96 PHE HD1 H 7.025 0.02 3 1068 96 96 PHE HD2 H 7.025 0.02 3 1069 96 96 PHE HE1 H 6.834 0.02 3 1070 96 96 PHE HE2 H 6.834 0.02 3 1071 96 96 PHE C C 173.713 0.2 1 1072 96 96 PHE CA C 54.660 0.2 1 1073 96 96 PHE CB C 40.823 0.009 1 1074 96 96 PHE CD1 C 131.865 0.2 3 1075 96 96 PHE CD2 C 131.865 0.2 3 1076 96 96 PHE CE1 C 132.091 0.2 3 1077 96 96 PHE CE2 C 132.091 0.2 3 1078 96 96 PHE N N 129.551 0.2 1 1079 97 97 THR H H 8.795 0.02 1 1080 97 97 THR HA H 5.060 0.02 1 1081 97 97 THR HB H 3.938 0.02 1 1082 97 97 THR HG2 H 1.168 0.02 1 1083 97 97 THR CA C 58.788 0.2 1 1084 97 97 THR CB C 72.428 0.2 1 1085 97 97 THR CG2 C 18.889 0.2 1 1086 97 97 THR N N 123.835 0.2 1 1087 98 98 PRO HA H 3.590 0.02 1 1088 98 98 PRO HB2 H 1.354 0.02 1 1089 98 98 PRO HB3 H 1.907 0.02 1 1090 98 98 PRO HD2 H 2.969 0.02 1 1091 98 98 PRO HD3 H 3.430 0.02 1 1092 98 98 PRO HG2 H 0.884 0.02 1 1093 98 98 PRO HG3 H 1.562 0.02 1 1094 98 98 PRO C C 176.927 0.2 1 1095 98 98 PRO CA C 62.711 0.2 1 1096 98 98 PRO CB C 31.840 0.005 1 1097 98 98 PRO CD C 51.977 0.004 1 1098 98 98 PRO CG C 27.323 0.006 1 1099 99 99 GLN H H 7.928 0.02 1 1100 99 99 GLN HA H 3.543 0.02 1 1101 99 99 GLN HB2 H 1.128 0.02 1 1102 99 99 GLN HB3 H 1.343 0.02 1 1103 99 99 GLN HE21 H 6.261 0.02 1 1104 99 99 GLN HE22 H 6.204 0.02 1 1105 99 99 GLN HG2 H 1.376 0.02 1 1106 99 99 GLN HG3 H 0.407 0.02 1 1107 99 99 GLN C C 176.698 0.2 1 1108 99 99 GLN CA C 57.413 0.2 1 1109 99 99 GLN CB C 30.283 0.012 1 1110 99 99 GLN CG C 34.543 0.012 1 1111 99 99 GLN N N 123.460 0.2 1 1112 99 99 GLN NE2 N 108.906 0.2 1 1113 100 100 HIS H H 8.910 0.02 1 1114 100 100 HIS HA H 4.465 0.02 1 1115 100 100 HIS HB2 H 3.116 0.02 1 1116 100 100 HIS HB3 H 3.011 0.02 1 1117 100 100 HIS HD2 H 7.111 0.02 1 1118 100 100 HIS C C 173.955 0.2 1 1119 100 100 HIS CA C 55.866 0.2 1 1120 100 100 HIS CB C 28.054 0.001 1 1121 100 100 HIS CD2 C 120.459 0.2 1 1122 100 100 HIS N N 117.472 0.2 1 1123 101 101 LYS H H 7.909 0.02 1 1124 101 101 LYS HA H 4.169 0.02 1 1125 101 101 LYS HB2 H 1.550 0.02 1 1126 101 101 LYS HB3 H 1.702 0.02 1 1127 101 101 LYS HD2 H 1.495 0.02 1 1128 101 101 LYS HD3 H 1.495 0.02 1 1129 101 101 LYS HE2 H 2.832 0.02 1 1130 101 101 LYS HE3 H 2.832 0.02 1 1131 101 101 LYS HG2 H 1.232 0.02 1 1132 101 101 LYS HG3 H 1.232 0.02 1 1133 101 101 LYS C C 175.547 0.2 1 1134 101 101 LYS CA C 56.253 0.2 1 1135 101 101 LYS CB C 33.032 0.004 1 1136 101 101 LYS CD C 28.981 0.2 1 1137 101 101 LYS CE C 42.080 0.2 1 1138 101 101 LYS CG C 24.627 0.2 1 1139 101 101 LYS N N 121.366 0.2 1 1140 102 102 MET H H 7.877 0.02 1 1141 102 102 MET HA H 4.129 0.02 1 1142 102 102 MET HB2 H 1.905 0.02 1 1143 102 102 MET HB3 H 1.779 0.02 1 1144 102 102 MET HE H 2.046 0.02 1 1145 102 102 MET HG2 H 2.310 0.02 1 1146 102 102 MET HG3 H 2.261 0.02 1 1147 102 102 MET CA C 57.003 0.2 1 1148 102 102 MET CB C 33.767 0.002 1 1149 102 102 MET CE C 16.680 0.2 1 1150 102 102 MET CG C 32.269 0.001 1 1151 102 102 MET N N 127.420 0.2 1 stop_ save_