data_26940 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N and 13C assignments for LITAF ; _BMRB_accession_number 26940 _BMRB_flat_file_name bmr26940.str _Entry_type original _Submission_date 2016-11-09 _Accession_date 2016-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Protein assignment for use in ligand binding and structural characterisation.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Anita K. . 2 Wagstaff Jane L. . 3 Manna Paul T. . 4 Wartosch Lena . . 5 Qamar Seema . . 6 Garman Elspeth F. . 7 Freund Stefan MV . 8 Roberts Rhys C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 313 "13C chemical shifts" 380 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-13 original BMRB . stop_ _Original_release_date 2016-11-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The topology, structure and PE interaction of LITAF underpin a Charcot-Marie-Tooth disease type 1C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27927196 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Anita K. . 2 Wagstaff Jane L. . 3 Manna Paul T. . 4 Wartosch Lena . . 5 Qamar Seema . . 6 Garman Elspeth F. . 7 Freund Stefan MV . 8 Roberts Rhys C. . stop_ _Journal_abbreviation 'BMC Biol.' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 109 _Page_last 109 _Year 2016 _Details . loop_ _Keyword 'Charcot-Marie-Tooth disease' Endosomes LITAF Neuropathy stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LITAF delta114-139' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LITAF delta114-139' $LITAF_delta114-139 'ZINC ION' $entity_ZN 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_LITAF_delta114-139 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LITAF_delta114-139 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MSVPGPYQAATGPSSAPSAP PSYEETVAVNSYYPTPPAPM PGPTTGLVTGPDGKGMNPPS YYTQPAPIPNNNPITVQTVY VQHPITFLDRPIQMCCPSCN KMIVSQLSYNAGASGSGSGS GALQDVDHYCPNCRALLGTY KRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 VAL 4 PRO 5 GLY 6 PRO 7 TYR 8 GLN 9 ALA 10 ALA 11 THR 12 GLY 13 PRO 14 SER 15 SER 16 ALA 17 PRO 18 SER 19 ALA 20 PRO 21 PRO 22 SER 23 TYR 24 GLU 25 GLU 26 THR 27 VAL 28 ALA 29 VAL 30 ASN 31 SER 32 TYR 33 TYR 34 PRO 35 THR 36 PRO 37 PRO 38 ALA 39 PRO 40 MET 41 PRO 42 GLY 43 PRO 44 THR 45 THR 46 GLY 47 LEU 48 VAL 49 THR 50 GLY 51 PRO 52 ASP 53 GLY 54 LYS 55 GLY 56 MET 57 ASN 58 PRO 59 PRO 60 SER 61 TYR 62 TYR 63 THR 64 GLN 65 PRO 66 ALA 67 PRO 68 ILE 69 PRO 70 ASN 71 ASN 72 ASN 73 PRO 74 ILE 75 THR 76 VAL 77 GLN 78 THR 79 VAL 80 TYR 81 VAL 82 GLN 83 HIS 84 PRO 85 ILE 86 THR 87 PHE 88 LEU 89 ASP 90 ARG 91 PRO 92 ILE 93 GLN 94 MET 95 CYS 96 CYS 97 PRO 98 SER 99 CYS 100 ASN 101 LYS 102 MET 103 ILE 104 VAL 105 SER 106 GLN 107 LEU 108 SER 109 TYR 110 ASN 111 ALA 112 GLY 113 ALA 114 SER 115 GLY 116 SER 117 GLY 118 SER 119 GLY 120 SER 121 GLY 122 ALA 123 LEU 124 GLN 125 ASP 126 VAL 127 ASP 128 HIS 129 TYR 130 CYS 131 PRO 132 ASN 133 CYS 134 ARG 135 ALA 136 LEU 137 LEU 138 GLY 139 THR 140 TYR 141 LYS 142 ARG 143 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $LITAF_delta114-139 Human 9606 Eukaryota Metazoa Homo sapiens 'This is a truncation of the wild type protein with residues 144-139 removed.' 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 $LITAF_delta114-139 'recombinant technology' . Escherichia coli BL21(DE3) C43 pOPINS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LITAF_delta114-139 200 uM '[U-99% 15N]' Zinc 200 uM 'natural abundance' HEPES 20 mM 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LITAF_delta114-139 200 uM '[U-98% 13C; U-98% 15N]' Zinc 200 uM 'natural abundance' HEPES 20 mM 'natural abundance' D2O 5 % [U-2H] 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_qMDD _Saveframe_category software _Name qMDD _Version . loop_ _Vendor _Address _Electronic_address Orekhov . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_spectrometer_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII+ _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_15N save_ save_2D_1H-15N_B_trosy_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N B_trosy' _Sample_label $sample_15N save_ save_2D_1H-15N_B_trosy_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N B_trosy' _Sample_label $sample_15N save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_13C15N save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_13C15N save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_13C15N save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_13C15N save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_13C15N save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_13C15N save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_15N save_ save_CON_11 _Saveframe_category NMR_applied_experiment _Experiment_name CON _Sample_label $sample_13C15N save_ save_HCBCANCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCBCANCO _Sample_label $sample_13C15N save_ save_HCBCACON_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCBCACON _Sample_label $sample_13C15N save_ save_HNCANNH_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCANNH _Sample_label $sample_13C15N save_ save_HNCOCANNH_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCANNH _Sample_label $sample_13C15N save_ save_HBHACONH_16 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample_13C15N 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' 120.5 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . 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 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HCACO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' CON HCBCANCO HCBCACON HNCANNH HNCOCANNH HBHACONH stop_ loop_ _Sample_label $sample_15N $sample_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'LITAF delta114-139' _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 MET HA H 4.276 0.030 1 2 1 1 MET HB2 H 2.109 0.030 2 3 1 1 MET HB3 H 1.784 0.030 2 4 1 1 MET C C 177.200 0.300 1 5 1 1 MET CB C 31.972 0.300 1 6 2 2 SER H H 8.269 0.030 1 7 2 2 SER C C 173.791 0.300 1 8 2 2 SER CA C 58.132 0.300 1 9 2 2 SER CB C 63.662 0.300 1 10 2 2 SER N N 115.859 0.300 1 11 3 3 VAL H H 7.993 0.030 1 12 3 3 VAL C C 174.308 0.300 1 13 3 3 VAL CA C 59.614 0.300 1 14 3 3 VAL CB C 32.409 0.300 1 15 3 3 VAL N N 122.719 0.300 1 16 4 4 PRO HA H 4.255 0.030 1 17 4 4 PRO HB2 H 2.102 0.030 2 18 4 4 PRO HB3 H 1.767 0.030 2 19 4 4 PRO C C 176.878 0.300 1 20 4 4 PRO CA C 63.135 0.300 1 21 4 4 PRO CB C 32.136 0.300 1 22 4 4 PRO N N 138.965 0.300 1 23 5 5 GLY H H 8.057 0.030 1 24 5 5 GLY C C 171.793 0.300 1 25 5 5 GLY CA C 44.403 0.300 1 26 5 5 GLY N N 109.134 0.300 1 27 6 6 PRO HA H 4.177 0.030 1 28 6 6 PRO C C 176.756 0.300 1 29 6 6 PRO CA C 63.171 0.300 1 30 6 6 PRO CB C 31.928 0.300 1 31 6 6 PRO N N 134.308 0.300 1 32 7 7 TYR H H 8.048 0.030 1 33 7 7 TYR HA H 4.334 0.030 1 34 7 7 TYR HB3 H 2.817 0.030 2 35 7 7 TYR C C 175.554 0.300 1 36 7 7 TYR CA C 57.786 0.300 1 37 7 7 TYR CB C 38.223 0.300 1 38 7 7 TYR N N 120.103 0.300 1 39 8 8 GLN H H 7.840 0.030 1 40 8 8 GLN HA H 4.062 0.030 1 41 8 8 GLN HB2 H 1.806 0.030 2 42 8 8 GLN HB3 H 1.707 0.030 2 43 8 8 GLN C C 174.770 0.300 1 44 8 8 GLN CA C 55.155 0.300 1 45 8 8 GLN CB C 29.581 0.300 1 46 8 8 GLN N N 122.905 0.300 1 47 9 9 ALA H H 8.020 0.030 1 48 9 9 ALA HA H 4.033 0.030 1 49 9 9 ALA HB H 1.196 0.030 1 50 9 9 ALA C C 177.349 0.300 1 51 9 9 ALA CA C 52.220 0.300 1 52 9 9 ALA CB C 19.035 0.300 1 53 9 9 ALA N N 125.631 0.300 1 54 10 10 ALA H H 8.130 0.030 1 55 10 10 ALA HA H 4.177 0.030 1 56 10 10 ALA HB H 1.219 0.030 1 57 10 10 ALA C C 177.810 0.300 1 58 10 10 ALA CA C 52.352 0.300 1 59 10 10 ALA CB C 19.022 0.300 1 60 10 10 ALA N N 123.376 0.300 1 61 11 11 THR H H 7.872 0.030 1 62 11 11 THR HA H 4.227 0.030 1 63 11 11 THR HB H 3.984 0.030 1 64 11 11 THR C C 174.601 0.300 1 65 11 11 THR CA C 61.395 0.300 1 66 11 11 THR CB C 69.884 0.300 1 67 11 11 THR N N 112.263 0.300 1 68 12 12 GLY H H 8.077 0.030 1 69 12 12 GLY C C 172.339 0.300 1 70 12 12 GLY CA C 44.612 0.300 1 71 12 12 GLY N N 110.934 0.300 1 72 13 13 PRO CA C 63.806 0.300 1 73 13 13 PRO CB C 31.926 0.300 1 74 13 13 PRO N N 134.274 0.300 1 75 15 15 SER C C 172.771 0.300 1 76 15 15 SER CA C 58.139 0.300 1 77 15 15 SER CB C 63.868 0.300 1 78 16 16 ALA H H 7.906 0.030 1 79 16 16 ALA C C 174.900 0.300 1 80 16 16 ALA CA C 49.739 0.300 1 81 16 16 ALA CB C 19.767 0.300 1 82 16 16 ALA N N 125.372 0.300 1 83 17 17 PRO HA H 4.266 0.030 1 84 17 17 PRO HB2 H 2.118 0.030 2 85 17 17 PRO HB3 H 1.750 0.030 2 86 17 17 PRO C C 176.884 0.300 1 87 17 17 PRO CA C 62.942 0.300 1 88 17 17 PRO CB C 31.811 0.300 1 89 17 17 PRO N N 135.135 0.300 1 90 18 18 SER H H 8.164 0.030 1 91 18 18 SER HA H 4.206 0.030 1 92 18 18 SER HB3 H 3.659 0.030 2 93 18 18 SER C C 173.594 0.300 1 94 18 18 SER CA C 57.986 0.300 1 95 18 18 SER CB C 63.817 0.300 1 96 18 18 SER N N 116.040 0.300 1 97 19 19 ALA H H 8.039 0.030 1 98 19 19 ALA C C 175.333 0.300 1 99 19 19 ALA CA C 50.260 0.300 1 100 19 19 ALA CB C 18.084 0.300 1 101 19 19 ALA N N 126.778 0.300 1 102 20 20 PRO CA C 62.760 0.300 1 103 20 20 PRO CB C 32.138 0.300 1 104 20 20 PRO N N 134.965 0.300 1 105 21 21 PRO HA H 4.209 0.030 1 106 21 21 PRO HB2 H 2.025 0.030 2 107 21 21 PRO HB3 H 1.559 0.030 2 108 21 21 PRO CA C 62.777 0.300 1 109 21 21 PRO CB C 31.854 0.300 1 110 22 22 SER H H 8.118 0.030 1 111 22 22 SER HA H 3.972 0.030 1 112 22 22 SER C C 174.253 0.300 1 113 22 22 SER CA C 57.790 0.300 1 114 22 22 SER CB C 63.840 0.300 1 115 22 22 SER N N 115.803 0.300 1 116 23 23 TYR H H 8.079 0.030 1 117 23 23 TYR HA H 4.345 0.030 1 118 23 23 TYR HB3 H 2.819 0.030 2 119 23 23 TYR C C 175.707 0.300 1 120 23 23 TYR CA C 58.158 0.300 1 121 23 23 TYR CB C 38.516 0.300 1 122 23 23 TYR N N 122.275 0.300 1 123 24 24 GLU H H 8.131 0.030 1 124 24 24 GLU C C 176.177 0.300 1 125 24 24 GLU CA C 56.634 0.300 1 126 24 24 GLU CB C 30.137 0.300 1 127 24 24 GLU N N 121.926 0.300 1 128 25 25 GLU H H 8.114 0.030 1 129 25 25 GLU HA H 4.080 0.030 1 130 25 25 GLU HB2 H 1.852 0.030 2 131 25 25 GLU HB3 H 1.785 0.030 2 132 25 25 GLU C C 176.629 0.300 1 133 25 25 GLU CA C 56.666 0.300 1 134 25 25 GLU CB C 30.129 0.300 1 135 25 25 GLU N N 121.659 0.300 1 136 26 26 THR H H 7.988 0.030 1 137 26 26 THR HA H 4.108 0.030 1 138 26 26 THR HB H 3.981 0.030 1 139 26 26 THR C C 174.440 0.300 1 140 26 26 THR CA C 62.258 0.300 1 141 26 26 THR CB C 69.650 0.300 1 142 26 26 THR N N 115.612 0.300 1 143 27 27 VAL H H 7.863 0.030 1 144 27 27 VAL HA H 3.886 0.030 1 145 27 27 VAL HB H 1.839 0.030 1 146 27 27 VAL C C 175.694 0.300 1 147 27 27 VAL CA C 62.193 0.300 1 148 27 27 VAL CB C 32.458 0.300 1 149 27 27 VAL N N 122.467 0.300 1 150 28 28 ALA H H 8.078 0.030 1 151 28 28 ALA HA H 4.141 0.030 1 152 28 28 ALA HB H 1.171 0.030 1 153 28 28 ALA C C 177.647 0.300 1 154 28 28 ALA CA C 52.258 0.300 1 155 28 28 ALA CB C 18.978 0.300 1 156 28 28 ALA N N 127.610 0.300 1 157 29 29 VAL H H 7.888 0.030 1 158 29 29 VAL C C 175.912 0.300 1 159 29 29 VAL CA C 62.398 0.300 1 160 29 29 VAL CB C 32.441 0.300 1 161 29 29 VAL N N 119.204 0.300 1 162 30 30 ASN H H 8.218 0.030 1 163 30 30 ASN HA H 4.521 0.030 1 164 30 30 ASN HB3 H 2.555 0.030 2 165 30 30 ASN C C 174.276 0.300 1 166 30 30 ASN CA C 53.023 0.300 1 167 30 30 ASN CB C 38.779 0.300 1 168 30 30 ASN N N 121.723 0.300 1 169 31 31 SER H H 7.937 0.030 1 170 31 31 SER HA H 3.760 0.030 1 171 31 31 SER C C 173.528 0.300 1 172 31 31 SER CA C 58.358 0.300 1 173 31 31 SER CB C 63.696 0.300 1 174 31 31 SER N N 115.815 0.300 1 175 32 32 TYR H H 7.854 0.030 1 176 32 32 TYR HA H 4.301 0.030 1 177 32 32 TYR C C 174.552 0.300 1 178 32 32 TYR CA C 57.736 0.300 1 179 32 32 TYR CB C 38.675 0.300 1 180 32 32 TYR N N 121.785 0.300 1 181 33 33 TYR H H 7.755 0.030 1 182 33 33 TYR C C 173.171 0.300 1 183 33 33 TYR CA C 55.231 0.300 1 184 33 33 TYR CB C 38.847 0.300 1 185 33 33 TYR N N 123.433 0.300 1 186 34 34 PRO HA H 4.208 0.030 1 187 34 34 PRO HB2 H 2.050 0.030 2 188 34 34 PRO HB3 H 1.707 0.030 2 189 34 34 PRO C C 176.449 0.300 1 190 34 34 PRO CA C 62.843 0.300 1 191 34 34 PRO CB C 31.819 0.300 1 192 34 34 PRO N N 136.512 0.300 1 193 35 35 THR H H 7.970 0.030 1 194 35 35 THR C C 172.381 0.300 1 195 35 35 THR CA C 59.567 0.300 1 196 35 35 THR CB C 69.765 0.300 1 197 35 35 THR N N 117.475 0.300 1 198 36 36 PRO C C 174.543 0.300 1 199 36 36 PRO CA C 61.584 0.300 1 200 36 36 PRO CB C 30.932 0.300 1 201 36 36 PRO N N 140.549 0.300 1 202 37 37 PRO HA H 4.209 0.030 1 203 37 37 PRO HB2 H 2.050 0.030 2 204 37 37 PRO HB3 H 1.696 0.030 2 205 37 37 PRO C C 176.044 0.300 1 206 37 37 PRO CA C 62.739 0.300 1 207 37 37 PRO CB C 31.935 0.300 1 208 37 37 PRO N N 135.301 0.300 1 209 38 38 ALA H H 8.092 0.030 1 210 38 38 ALA C C 175.424 0.300 1 211 38 38 ALA CA C 50.220 0.300 1 212 38 38 ALA CB C 18.042 0.300 1 213 38 38 ALA N N 125.353 0.300 1 214 39 39 PRO C C 176.428 0.300 1 215 39 39 PRO CA C 62.746 0.300 1 216 39 39 PRO CB C 31.930 0.300 1 217 39 39 PRO N N 134.965 0.300 1 218 40 40 MET H H 8.038 0.030 1 219 40 40 MET C C 174.772 0.300 1 220 40 40 MET CA C 58.525 0.300 1 221 40 40 MET CB C 38.492 0.300 1 222 40 40 MET N N 122.486 0.300 1 223 41 41 PRO HA H 4.248 0.030 1 224 41 41 PRO HB2 H 2.106 0.030 2 225 41 41 PRO HB3 H 1.757 0.030 2 226 41 41 PRO C C 176.950 0.300 1 227 41 41 PRO CA C 63.270 0.300 1 228 41 41 PRO CB C 32.089 0.300 1 229 41 41 PRO N N 139.673 0.300 1 230 42 42 GLY H H 8.017 0.030 1 231 42 42 GLY C C 171.848 0.300 1 232 42 42 GLY CA C 44.538 0.300 1 233 42 42 GLY N N 108.943 0.300 1 234 43 43 PRO HA H 4.319 0.030 1 235 43 43 PRO HB2 H 2.112 0.030 2 236 43 43 PRO HB3 H 1.780 0.030 2 237 43 43 PRO C C 177.488 0.300 1 238 43 43 PRO CA C 63.255 0.300 1 239 43 43 PRO CB C 32.091 0.300 1 240 43 43 PRO N N 134.055 0.300 1 241 44 44 THR H H 8.165 0.030 1 242 44 44 THR HA H 4.236 0.030 1 243 44 44 THR HB H 4.113 0.030 1 244 44 44 THR C C 174.772 0.300 1 245 44 44 THR CA C 61.764 0.300 1 246 44 44 THR CB C 69.596 0.300 1 247 44 44 THR N N 113.554 0.300 1 248 45 45 THR H H 7.851 0.030 1 249 45 45 THR HA H 4.165 0.030 1 250 45 45 THR HB H 4.060 0.030 1 251 45 45 THR C C 174.768 0.300 1 252 45 45 THR CA C 61.865 0.300 1 253 45 45 THR CB C 69.749 0.300 1 254 45 45 THR N N 115.649 0.300 1 255 46 46 GLY H H 8.192 0.030 1 256 46 46 GLY HA3 H 3.761 0.030 2 257 46 46 GLY C C 173.591 0.300 1 258 46 46 GLY CA C 45.082 0.300 1 259 46 46 GLY N N 110.887 0.300 1 260 47 47 LEU H H 7.843 0.030 1 261 47 47 LEU HA H 4.004 0.030 1 262 47 47 LEU HB3 H 1.381 0.030 2 263 47 47 LEU C C 177.180 0.300 1 264 47 47 LEU CA C 54.908 0.300 1 265 47 47 LEU CB C 42.373 0.300 1 266 47 47 LEU N N 121.558 0.300 1 267 48 48 VAL H H 8.090 0.030 1 268 48 48 VAL HA H 4.036 0.030 1 269 48 48 VAL HB H 1.888 0.030 1 270 48 48 VAL C C 176.054 0.300 1 271 48 48 VAL CA C 61.992 0.300 1 272 48 48 VAL CB C 32.644 0.300 1 273 48 48 VAL N N 121.650 0.300 1 274 49 49 THR H H 8.033 0.030 1 275 49 49 THR C C 174.371 0.300 1 276 49 49 THR CA C 61.409 0.300 1 277 49 49 THR CB C 69.922 0.300 1 278 49 49 THR N N 117.622 0.300 1 279 50 50 GLY H H 7.971 0.030 1 280 50 50 GLY C C 171.918 0.300 1 281 50 50 GLY CA C 44.546 0.300 1 282 50 50 GLY N N 110.747 0.300 1 283 51 51 PRO HA H 4.221 0.030 1 284 51 51 PRO HB2 H 2.086 0.030 2 285 51 51 PRO HB3 H 1.781 0.030 2 286 51 51 PRO CA C 63.205 0.300 1 287 51 51 PRO CB C 31.961 0.300 1 288 51 51 PRO N N 133.764 0.300 1 289 52 52 ASP H H 8.131 0.030 1 290 52 52 ASP HA H 4.381 0.030 1 291 52 52 ASP HB3 H 2.523 0.030 2 292 52 52 ASP C C 176.869 0.300 1 293 52 52 ASP CA C 53.870 0.300 1 294 52 52 ASP CB C 40.754 0.300 1 295 52 52 ASP N N 118.663 0.300 1 296 53 53 GLY H H 8.028 0.030 1 297 53 53 GLY HA2 H 3.698 0.030 2 298 53 53 GLY HA3 H 3.782 0.030 2 299 53 53 GLY C C 174.401 0.300 1 300 53 53 GLY CA C 45.535 0.300 1 301 53 53 GLY N N 108.610 0.300 1 302 54 54 LYS H H 7.869 0.030 1 303 54 54 LYS HA H 4.149 0.030 1 304 54 54 LYS HB2 H 1.677 0.030 2 305 54 54 LYS HB3 H 1.612 0.030 2 306 54 54 LYS C C 177.029 0.300 1 307 54 54 LYS CA C 56.136 0.300 1 308 54 54 LYS CB C 32.657 0.300 1 309 54 54 LYS N N 120.293 0.300 1 310 55 55 GLY H H 8.266 0.030 1 311 55 55 GLY HA2 H 3.700 0.030 2 312 55 55 GLY HA3 H 3.780 0.030 2 313 55 55 GLY C C 173.831 0.300 1 314 55 55 GLY CA C 45.207 0.300 1 315 55 55 GLY N N 109.502 0.300 1 316 56 56 MET H H 8.049 0.030 1 317 56 56 MET HA H 4.309 0.030 1 318 56 56 MET HB2 H 1.863 0.030 2 319 56 56 MET HB3 H 1.764 0.030 2 320 56 56 MET C C 175.596 0.300 1 321 56 56 MET CA C 55.005 0.300 1 322 56 56 MET CB C 33.050 0.300 1 323 56 56 MET N N 119.593 0.300 1 324 57 57 ASN H H 8.280 0.030 1 325 57 57 ASN C C 172.344 0.300 1 326 57 57 ASN CA C 51.251 0.300 1 327 57 57 ASN CB C 38.527 0.300 1 328 57 57 ASN N N 120.580 0.300 1 329 58 58 PRO C C 174.537 0.300 1 330 58 58 PRO CA C 61.578 0.300 1 331 58 58 PRO CB C 30.843 0.300 1 332 58 58 PRO N N 137.135 0.300 1 333 59 59 PRO CA C 63.362 0.300 1 334 59 59 PRO CB C 32.056 0.300 1 335 59 59 PRO N N 134.798 0.300 1 336 60 60 SER C C 174.182 0.300 1 337 60 60 SER CA C 58.543 0.300 1 338 60 60 SER CB C 63.527 0.300 1 339 61 61 TYR H H 7.803 0.030 1 340 61 61 TYR C C 175.207 0.300 1 341 61 61 TYR CA C 57.824 0.300 1 342 61 61 TYR CB C 38.704 0.300 1 343 61 61 TYR N N 121.391 0.300 1 344 62 62 TYR H H 7.766 0.030 1 345 62 62 TYR C C 175.354 0.300 1 346 62 62 TYR CA C 57.774 0.300 1 347 62 62 TYR CB C 38.801 0.300 1 348 62 62 TYR N N 120.539 0.300 1 349 63 63 THR H H 7.678 0.030 1 350 63 63 THR CA C 61.368 0.300 1 351 63 63 THR CB C 69.771 0.300 1 352 63 63 THR N N 116.206 0.300 1 353 65 65 PRO HA H 4.198 0.030 1 354 65 65 PRO HB2 H 2.069 0.030 2 355 65 65 PRO HB3 H 1.698 0.030 2 356 65 65 PRO C C 176.028 0.300 1 357 65 65 PRO CA C 62.746 0.300 1 358 65 65 PRO CB C 31.885 0.300 1 359 66 66 ALA H H 8.116 0.030 1 360 66 66 ALA C C 175.361 0.300 1 361 66 66 ALA CA C 50.297 0.300 1 362 66 66 ALA CB C 17.921 0.300 1 363 66 66 ALA N N 125.619 0.300 1 364 67 67 PRO C C 176.947 0.300 1 365 67 67 PRO CA C 63.173 0.300 1 366 67 67 PRO CB C 31.991 0.300 1 367 67 67 PRO N N 135.742 0.300 1 368 68 68 ILE H H 8.029 0.030 1 369 68 68 ILE CA C 58.271 0.300 1 370 68 68 ILE CB C 44.461 0.300 1 371 68 68 ILE N N 114.506 0.300 1 372 71 71 ASN HA H 4.524 0.030 1 373 71 71 ASN HB2 H 2.608 0.030 2 374 71 71 ASN HB3 H 2.521 0.030 2 375 71 71 ASN C C 174.472 0.300 1 376 71 71 ASN CA C 52.839 0.300 1 377 71 71 ASN CB C 38.654 0.300 1 378 72 72 ASN H H 8.140 0.030 1 379 72 72 ASN C C 172.918 0.300 1 380 72 72 ASN CA C 51.379 0.300 1 381 72 72 ASN CB C 38.743 0.300 1 382 72 72 ASN N N 119.978 0.300 1 383 73 73 PRO HA H 4.219 0.030 1 384 73 73 PRO HD3 H 3.757 0.030 2 385 73 73 PRO C C 176.729 0.300 1 386 73 73 PRO CA C 63.195 0.300 1 387 73 73 PRO CB C 32.073 0.300 1 388 73 73 PRO N N 136.206 0.300 1 389 74 74 ILE H H 8.012 0.030 1 390 74 74 ILE HA H 4.001 0.030 1 391 74 74 ILE HB H 1.689 0.030 1 392 74 74 ILE C C 176.417 0.300 1 393 74 74 ILE CA C 61.139 0.300 1 394 74 74 ILE CB C 38.383 0.300 1 395 74 74 ILE N N 120.516 0.300 1 396 75 75 THR H H 7.965 0.030 1 397 75 75 THR HA H 4.181 0.030 1 398 75 75 THR HB H 3.976 0.030 1 399 75 75 THR C C 174.314 0.300 1 400 75 75 THR CA C 61.618 0.300 1 401 75 75 THR CB C 69.887 0.300 1 402 75 75 THR N N 118.225 0.300 1 403 76 76 VAL H H 7.957 0.030 1 404 76 76 VAL HA H 3.934 0.030 1 405 76 76 VAL HB H 1.875 0.030 1 406 76 76 VAL C C 175.786 0.300 1 407 76 76 VAL CA C 62.133 0.300 1 408 76 76 VAL CB C 32.578 0.300 1 409 76 76 VAL N N 122.661 0.300 1 410 77 77 GLN H H 8.264 0.030 1 411 77 77 GLN HA H 4.208 0.030 1 412 77 77 GLN HB3 H 1.889 0.030 2 413 77 77 GLN C C 175.785 0.300 1 414 77 77 GLN CA C 55.574 0.300 1 415 77 77 GLN CB C 29.341 0.300 1 416 77 77 GLN N N 124.176 0.300 1 417 78 78 THR H H 8.023 0.030 1 418 78 78 THR HA H 4.085 0.030 1 419 78 78 THR HB H 3.900 0.030 1 420 78 78 THR C C 171.838 0.300 1 421 78 78 THR CA C 62.013 0.300 1 422 78 78 THR CB C 69.636 0.300 1 423 78 78 THR N N 116.839 0.300 1 424 79 79 VAL H H 7.886 0.030 1 425 79 79 VAL CA C 62.025 0.300 1 426 79 79 VAL CB C 32.644 0.300 1 427 79 79 VAL N N 122.646 0.300 1 428 80 80 TYR H H 8.123 0.030 1 429 80 80 TYR C C 174.556 0.300 1 430 80 80 TYR CA C 57.688 0.300 1 431 80 80 TYR CB C 38.632 0.300 1 432 80 80 TYR N N 124.704 0.300 1 433 81 81 VAL H H 7.764 0.030 1 434 81 81 VAL HA H 3.777 0.030 1 435 81 81 VAL HB H 1.709 0.030 1 436 81 81 VAL C C 173.143 0.300 1 437 81 81 VAL CA C 61.733 0.300 1 438 81 81 VAL CB C 32.803 0.300 1 439 81 81 VAL N N 123.430 0.300 1 440 82 82 GLN H H 8.133 0.030 1 441 82 82 GLN C C 174.772 0.300 1 442 82 82 GLN CA C 55.533 0.300 1 443 82 82 GLN CB C 29.341 0.300 1 444 82 82 GLN N N 124.255 0.300 1 445 83 83 HIS C C 173.070 0.300 1 446 83 83 HIS CA C 54.056 0.300 1 447 83 83 HIS CB C 30.292 0.300 1 448 84 84 PRO HA H 4.208 0.030 1 449 84 84 PRO HB2 H 2.039 0.030 2 450 84 84 PRO HB3 H 1.657 0.030 2 451 84 84 PRO C C 176.397 0.300 1 452 84 84 PRO CA C 63.055 0.300 1 453 84 84 PRO CB C 31.772 0.300 1 454 84 84 PRO N N 136.588 0.300 1 455 85 85 ILE H H 8.046 0.030 1 456 85 85 ILE HA H 3.721 0.030 1 457 85 85 ILE HB H 1.264 0.030 1 458 85 85 ILE C C 175.581 0.300 1 459 85 85 ILE CA C 60.209 0.300 1 460 85 85 ILE CB C 39.001 0.300 1 461 85 85 ILE N N 123.505 0.300 1 462 86 86 THR H H 7.756 0.030 1 463 86 86 THR HA H 4.227 0.030 1 464 86 86 THR C C 172.640 0.300 1 465 86 86 THR CA C 61.114 0.300 1 466 86 86 THR CB C 69.447 0.300 1 467 86 86 THR N N 122.365 0.300 1 468 87 87 PHE H H 8.169 0.030 1 469 87 87 PHE HA H 3.455 0.030 1 470 87 87 PHE C C 174.300 0.300 1 471 87 87 PHE CA C 59.377 0.300 1 472 87 87 PHE CB C 38.472 0.300 1 473 87 87 PHE N N 125.948 0.300 1 474 88 88 LEU H H 7.606 0.030 1 475 88 88 LEU HA H 4.286 0.030 1 476 88 88 LEU HB2 H 1.378 0.030 2 477 88 88 LEU C C 175.805 0.300 1 478 88 88 LEU CA C 53.333 0.300 1 479 88 88 LEU CB C 41.838 0.300 1 480 88 88 LEU N N 125.578 0.300 1 481 89 89 ASP H H 8.059 0.030 1 482 89 89 ASP HA H 4.369 0.030 1 483 89 89 ASP HB2 H 2.976 0.030 2 484 89 89 ASP HB3 H 2.264 0.030 2 485 89 89 ASP C C 174.298 0.300 1 486 89 89 ASP CA C 52.439 0.300 1 487 89 89 ASP CB C 39.395 0.300 1 488 89 89 ASP N N 117.544 0.300 1 489 90 90 ARG H H 7.510 0.030 1 490 90 90 ARG C C 173.017 0.300 1 491 90 90 ARG CA C 52.557 0.300 1 492 90 90 ARG CB C 31.261 0.300 1 493 90 90 ARG N N 116.572 0.300 1 494 91 91 PRO C C 176.575 0.300 1 495 91 91 PRO CA C 63.870 0.300 1 496 91 91 PRO CB C 32.229 0.300 1 497 91 91 PRO N N 136.054 0.300 1 498 92 92 ILE H H 8.907 0.030 1 499 92 92 ILE HA H 4.170 0.030 1 500 92 92 ILE HB H 1.409 0.030 1 501 92 92 ILE C C 175.617 0.300 1 502 92 92 ILE CA C 59.371 0.300 1 503 92 92 ILE CB C 41.995 0.300 1 504 92 92 ILE N N 123.715 0.300 1 505 93 93 GLN H H 8.234 0.030 1 506 93 93 GLN HA H 5.267 0.030 1 507 93 93 GLN HB2 H 1.855 0.030 2 508 93 93 GLN HB3 H 1.709 0.030 2 509 93 93 GLN C C 174.810 0.300 1 510 93 93 GLN CA C 54.296 0.300 1 511 93 93 GLN CB C 29.113 0.300 1 512 93 93 GLN N N 126.249 0.300 1 513 94 94 MET H H 8.768 0.030 1 514 94 94 MET HA H 4.456 0.030 1 515 94 94 MET HB3 H 1.843 0.030 2 516 94 94 MET C C 172.093 0.300 1 517 94 94 MET CA C 55.111 0.300 1 518 94 94 MET CB C 34.703 0.300 1 519 94 94 MET N N 122.138 0.300 1 520 95 95 CYS H H 8.353 0.030 1 521 95 95 CYS HA H 4.656 0.030 1 522 95 95 CYS HB3 H 2.497 0.030 2 523 95 95 CYS C C 174.572 0.300 1 524 95 95 CYS CA C 57.380 0.300 1 525 95 95 CYS CB C 27.010 0.300 1 526 95 95 CYS N N 120.353 0.300 1 527 96 96 CYS H H 8.688 0.030 1 528 96 96 CYS C C 176.148 0.300 1 529 96 96 CYS CA C 57.329 0.300 1 530 96 96 CYS CB C 32.150 0.300 1 531 96 96 CYS N N 133.924 0.300 1 532 97 97 PRO HA H 4.334 0.030 1 533 97 97 PRO HB2 H 2.122 0.030 2 534 97 97 PRO HB3 H 1.827 0.030 2 535 97 97 PRO C C 176.822 0.300 1 536 97 97 PRO CA C 63.829 0.300 1 537 97 97 PRO CB C 32.052 0.300 1 538 97 97 PRO N N 140.167 0.300 1 539 98 98 SER H H 9.238 0.030 1 540 98 98 SER HA H 4.370 0.030 1 541 98 98 SER HB2 H 3.809 0.030 2 542 98 98 SER HB3 H 3.494 0.030 2 543 98 98 SER C C 175.319 0.300 1 544 98 98 SER CA C 60.230 0.300 1 545 98 98 SER CB C 62.793 0.300 1 546 98 98 SER N N 118.355 0.300 1 547 99 99 CYS H H 8.757 0.030 1 548 99 99 CYS HA H 4.006 0.030 1 549 99 99 CYS HG H 1.688 0.030 1 550 99 99 CYS C C 176.066 0.300 1 551 99 99 CYS CA C 58.702 0.300 1 552 99 99 CYS CB C 30.922 0.300 1 553 99 99 CYS N N 120.570 0.300 1 554 100 100 ASN H H 8.007 0.030 1 555 100 100 ASN HB2 H 2.836 0.030 2 556 100 100 ASN HB3 H 2.528 0.030 2 557 100 100 ASN C C 173.562 0.300 1 558 100 100 ASN CA C 54.924 0.300 1 559 100 100 ASN CB C 37.629 0.300 1 560 100 100 ASN N N 118.786 0.300 1 561 101 101 LYS H H 7.423 0.030 1 562 101 101 LYS HA H 4.356 0.030 1 563 101 101 LYS HB2 H 1.628 0.030 2 564 101 101 LYS HB3 H 1.485 0.030 2 565 101 101 LYS C C 175.515 0.300 1 566 101 101 LYS CA C 54.958 0.300 1 567 101 101 LYS CB C 34.123 0.300 1 568 101 101 LYS N N 118.400 0.300 1 569 102 102 MET H H 8.264 0.030 1 570 102 102 MET HA H 4.615 0.030 1 571 102 102 MET HB3 H 1.793 0.030 2 572 102 102 MET C C 175.676 0.300 1 573 102 102 MET CA C 54.721 0.300 1 574 102 102 MET CB C 29.544 0.300 1 575 102 102 MET N N 121.669 0.300 1 576 103 103 ILE H H 8.888 0.030 1 577 103 103 ILE HA H 4.625 0.030 1 578 103 103 ILE HB H 1.749 0.030 1 579 103 103 ILE C C 175.120 0.300 1 580 103 103 ILE CA C 58.296 0.300 1 581 103 103 ILE CB C 44.788 0.300 1 582 103 103 ILE N N 122.726 0.300 1 583 104 104 VAL H H 7.482 0.030 1 584 104 104 VAL HA H 4.490 0.030 1 585 104 104 VAL HB H 1.656 0.030 1 586 104 104 VAL C C 176.767 0.300 1 587 104 104 VAL CA C 61.202 0.300 1 588 104 104 VAL CB C 32.841 0.300 1 589 104 104 VAL N N 120.839 0.300 1 590 105 105 SER H H 9.098 0.030 1 591 105 105 SER HA H 3.985 0.030 1 592 105 105 SER HB3 H 3.789 0.030 2 593 105 105 SER C C 171.499 0.300 1 594 105 105 SER CA C 59.811 0.300 1 595 105 105 SER CB C 63.328 0.300 1 596 105 105 SER N N 124.183 0.300 1 597 106 106 GLN H H 8.896 0.030 1 598 106 106 GLN HA H 4.356 0.030 1 599 106 106 GLN HB2 H 1.834 0.030 2 600 106 106 GLN HB3 H 1.680 0.030 2 601 106 106 GLN C C 175.603 0.300 1 602 106 106 GLN CA C 53.736 0.300 1 603 106 106 GLN CB C 30.888 0.300 1 604 106 106 GLN N N 118.493 0.300 1 605 107 107 LEU H H 8.270 0.030 1 606 107 107 LEU HA H 4.572 0.030 1 607 107 107 LEU HB2 H 1.290 0.030 2 608 107 107 LEU HD1 H 0.711 0.030 2 609 107 107 LEU C C 177.849 0.300 1 610 107 107 LEU CA C 54.805 0.300 1 611 107 107 LEU CB C 41.954 0.300 1 612 107 107 LEU N N 125.264 0.300 1 613 108 108 SER H H 8.729 0.030 1 614 108 108 SER HA H 4.390 0.030 1 615 108 108 SER HB2 H 3.713 0.030 2 616 108 108 SER HB3 H 3.596 0.030 2 617 108 108 SER C C 172.988 0.300 1 618 108 108 SER CA C 57.074 0.300 1 619 108 108 SER CB C 64.650 0.300 1 620 108 108 SER N N 116.996 0.300 1 621 109 109 TYR H H 8.268 0.030 1 622 109 109 TYR HA H 4.711 0.030 1 623 109 109 TYR HB2 H 2.826 0.030 2 624 109 109 TYR HB3 H 2.673 0.030 2 625 109 109 TYR C C 175.553 0.300 1 626 109 109 TYR CA C 57.649 0.300 1 627 109 109 TYR CB C 38.989 0.300 1 628 109 109 TYR N N 124.624 0.300 1 629 110 110 ASN H H 8.520 0.030 1 630 110 110 ASN HA H 4.572 0.030 1 631 110 110 ASN HB2 H 2.625 0.030 2 632 110 110 ASN HB3 H 2.526 0.030 2 633 110 110 ASN C C 174.532 0.300 1 634 110 110 ASN CA C 52.782 0.300 1 635 110 110 ASN CB C 39.639 0.300 1 636 110 110 ASN N N 121.954 0.300 1 637 111 111 ALA H H 8.375 0.030 1 638 111 111 ALA HA H 4.144 0.030 1 639 111 111 ALA HB H 1.220 0.030 1 640 111 111 ALA C C 178.085 0.300 1 641 111 111 ALA CA C 52.757 0.300 1 642 111 111 ALA CB C 19.031 0.300 1 643 111 111 ALA N N 125.888 0.300 1 644 112 112 GLY H H 8.194 0.030 1 645 112 112 GLY HA3 H 3.916 0.030 2 646 112 112 GLY C C 174.121 0.300 1 647 112 112 GLY CA C 45.125 0.300 1 648 112 112 GLY N N 107.525 0.300 1 649 113 113 ALA H H 8.058 0.030 1 650 113 113 ALA C C 177.113 0.300 1 651 113 113 ALA CA C 53.503 0.300 1 652 113 113 ALA CB C 19.053 0.300 1 653 113 113 ALA N N 123.882 0.300 1 654 120 120 SER H H 8.092 0.030 1 655 120 120 SER HA H 4.250 0.030 1 656 120 120 SER HB3 H 3.687 0.030 2 657 120 120 SER C C 175.035 0.300 1 658 120 120 SER CA C 58.461 0.300 1 659 120 120 SER CB C 63.768 0.300 1 660 120 120 SER N N 115.694 0.300 1 661 121 121 GLY H H 8.285 0.030 1 662 121 121 GLY HA3 H 3.719 0.030 2 663 121 121 GLY C C 173.742 0.300 1 664 121 121 GLY CA C 45.242 0.300 1 665 121 121 GLY N N 111.128 0.300 1 666 122 122 ALA H H 7.764 0.030 1 667 122 122 ALA HA H 4.083 0.030 1 668 122 122 ALA HB H 1.141 0.030 1 669 122 122 ALA C C 177.425 0.300 1 670 122 122 ALA CA C 52.289 0.300 1 671 122 122 ALA CB C 19.112 0.300 1 672 122 122 ALA N N 123.150 0.300 1 673 123 123 LEU H H 7.935 0.030 1 674 123 123 LEU HA H 4.138 0.030 1 675 123 123 LEU HB2 H 1.441 0.030 2 676 123 123 LEU HB3 H 1.196 0.030 2 677 123 123 LEU C C 176.505 0.300 1 678 123 123 LEU CA C 54.595 0.300 1 679 123 123 LEU CB C 42.055 0.300 1 680 123 123 LEU N N 120.620 0.300 1 681 124 124 GLN H H 7.836 0.030 1 682 124 124 GLN HA H 4.255 0.030 1 683 124 124 GLN HB2 H 2.043 0.030 2 684 124 124 GLN HB3 H 1.664 0.030 2 685 124 124 GLN C C 175.484 0.300 1 686 124 124 GLN CA C 55.218 0.300 1 687 124 124 GLN CB C 30.669 0.300 1 688 124 124 GLN N N 119.550 0.300 1 689 125 125 ASP H H 8.057 0.030 1 690 125 125 ASP HA H 4.581 0.030 1 691 125 125 ASP HB3 H 2.343 0.030 2 692 125 125 ASP C C 175.590 0.300 1 693 125 125 ASP CA C 54.802 0.300 1 694 125 125 ASP CB C 41.213 0.300 1 695 125 125 ASP N N 122.985 0.300 1 696 126 126 VAL H H 8.338 0.030 1 697 126 126 VAL HA H 4.244 0.030 1 698 126 126 VAL HB H 2.155 0.030 1 699 126 126 VAL C C 174.787 0.300 1 700 126 126 VAL CA C 61.458 0.300 1 701 126 126 VAL CB C 34.172 0.300 1 702 126 126 VAL N N 119.972 0.300 1 703 127 127 ASP H H 8.637 0.030 1 704 127 127 ASP HA H 4.933 0.030 1 705 127 127 ASP HB2 H 2.368 0.030 2 706 127 127 ASP HB3 H 1.975 0.030 2 707 127 127 ASP C C 174.273 0.300 1 708 127 127 ASP CA C 53.873 0.300 1 709 127 127 ASP CB C 43.683 0.300 1 710 127 127 ASP N N 128.070 0.300 1 711 128 128 HIS H H 8.424 0.030 1 712 128 128 HIS HA H 4.727 0.030 1 713 128 128 HIS HB2 H 2.561 0.030 2 714 128 128 HIS HB3 H 2.424 0.030 2 715 128 128 HIS C C 174.484 0.300 1 716 128 128 HIS CA C 54.905 0.300 1 717 128 128 HIS CB C 35.154 0.300 1 718 128 128 HIS N N 119.296 0.300 1 719 129 129 TYR H H 9.377 0.030 1 720 129 129 TYR HA H 5.208 0.030 1 721 129 129 TYR HB3 H 2.433 0.030 2 722 129 129 TYR C C 175.586 0.300 1 723 129 129 TYR CA C 56.386 0.300 1 724 129 129 TYR CB C 42.880 0.300 1 725 129 129 TYR N N 120.756 0.300 1 726 130 130 CYS H H 8.838 0.030 1 727 130 130 CYS C C 176.609 0.300 1 728 130 130 CYS CA C 56.227 0.300 1 729 130 130 CYS CB C 32.140 0.300 1 730 130 130 CYS N N 123.685 0.300 1 731 131 131 PRO HA H 4.318 0.030 1 732 131 131 PRO HB2 H 2.072 0.030 2 733 131 131 PRO HB3 H 1.974 0.030 2 734 131 131 PRO C C 176.306 0.300 1 735 131 131 PRO CA C 64.097 0.300 1 736 131 131 PRO CB C 32.093 0.300 1 737 131 131 PRO N N 140.055 0.300 1 738 132 132 ASN H H 9.414 0.030 1 739 132 132 ASN HA H 4.591 0.030 1 740 132 132 ASN HB2 H 2.848 0.030 2 741 132 132 ASN HB3 H 2.489 0.030 2 742 132 132 ASN C C 175.311 0.300 1 743 132 132 ASN CA C 55.858 0.300 1 744 132 132 ASN CB C 40.373 0.300 1 745 132 132 ASN N N 122.386 0.300 1 746 133 133 CYS H H 9.234 0.030 1 747 133 133 CYS HA H 4.754 0.030 1 748 133 133 CYS HB2 H 3.125 0.030 2 749 133 133 CYS HB3 H 2.261 0.030 2 750 133 133 CYS C C 176.085 0.300 1 751 133 133 CYS CA C 58.611 0.300 1 752 133 133 CYS CB C 32.594 0.300 1 753 133 133 CYS N N 121.142 0.300 1 754 134 134 ARG H H 7.624 0.030 1 755 134 134 ARG HA H 4.085 0.030 1 756 134 134 ARG HB3 H 1.941 0.030 2 757 134 134 ARG C C 174.599 0.300 1 758 134 134 ARG CA C 57.480 0.300 1 759 134 134 ARG CB C 25.931 0.300 1 760 134 134 ARG N N 116.917 0.300 1 761 135 135 ALA H H 8.341 0.030 1 762 135 135 ALA HA H 4.055 0.030 1 763 135 135 ALA HB H 1.158 0.030 1 764 135 135 ALA C C 177.244 0.300 1 765 135 135 ALA CA C 53.430 0.300 1 766 135 135 ALA CB C 19.515 0.300 1 767 135 135 ALA N N 123.438 0.300 1 768 136 136 LEU H H 8.180 0.030 1 769 136 136 LEU HA H 3.737 0.030 1 770 136 136 LEU C C 176.555 0.300 1 771 136 136 LEU CA C 55.144 0.300 1 772 136 136 LEU CB C 41.004 0.300 1 773 136 136 LEU N N 122.378 0.300 1 774 137 137 LEU H H 9.106 0.030 1 775 137 137 LEU C C 176.341 0.300 1 776 137 137 LEU CA C 55.027 0.300 1 777 137 137 LEU CB C 42.567 0.300 1 778 137 137 LEU N N 130.040 0.300 1 779 138 138 GLY H H 6.645 0.030 1 780 138 138 GLY HA2 H 3.202 0.030 2 781 138 138 GLY HA3 H 2.210 0.030 2 782 138 138 GLY C C 182.776 0.300 1 783 138 138 GLY CA C 43.889 0.300 1 784 138 138 GLY N N 103.282 0.300 1 785 139 139 THR H H 7.708 0.030 1 786 139 139 THR HA H 4.997 0.030 1 787 139 139 THR HB H 3.331 0.030 1 788 139 139 THR C C 172.589 0.300 1 789 139 139 THR CA C 61.680 0.300 1 790 139 139 THR CB C 73.238 0.300 1 791 139 139 THR N N 113.684 0.300 1 792 140 140 TYR H H 9.438 0.030 1 793 140 140 TYR HA H 4.821 0.030 1 794 140 140 TYR HB3 H 2.860 0.030 2 795 140 140 TYR C C 173.206 0.300 1 796 140 140 TYR CA C 54.281 0.300 1 797 140 140 TYR CB C 38.919 0.300 1 798 140 140 TYR N N 128.511 0.300 1 799 141 141 LYS H H 8.185 0.030 1 800 141 141 LYS HA H 4.127 0.030 1 801 141 141 LYS HB2 H 1.506 0.030 2 802 141 141 LYS HB3 H 1.373 0.030 2 803 141 141 LYS C C 175.043 0.300 1 804 141 141 LYS CA C 54.322 0.300 1 805 141 141 LYS CB C 32.322 0.300 1 806 141 141 LYS N N 129.327 0.300 1 807 142 142 ARG H H 8.208 0.030 1 808 142 142 ARG HA H 3.725 0.030 1 809 142 142 ARG HB2 H 1.294 0.030 2 810 142 142 ARG HB3 H 1.440 0.030 2 811 142 142 ARG C C 175.040 0.300 1 812 142 142 ARG CA C 56.277 0.300 1 813 142 142 ARG CB C 30.532 0.300 1 814 142 142 ARG N N 124.611 0.300 1 815 143 143 LEU H H 7.644 0.030 1 816 143 143 LEU C C 182.251 0.300 1 817 143 143 LEU CA C 56.158 0.300 1 818 143 143 LEU CB C 43.473 0.300 1 819 143 143 LEU N N 128.813 0.300 1 stop_ save_