data_17585 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rv0020c_Nter structure ; _BMRB_accession_number 17585 _BMRB_flat_file_name bmr17585.str _Entry_type original _Submission_date 2011-04-11 _Accession_date 2011-04-11 _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 Barthe Philippe P. . 2 Cohen-Gonsaud Martin M. . 3 Roumestand Christian C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 702 "13C chemical shifts" 342 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-10-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17586 'Rv0020c_FHA Structure' stop_ _Original_release_date 2011-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insight into the Mycobacterium tuberculosis Rv0020c Protein and Its Interaction with the PknB Kinase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22000520 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Roumestand Christian . . 2 Leiba Jade . . 3 Galophe Nathalie . . 4 Margeat Emmanuel . . 5 Padilla Andre . . 6 Bessin Yannick . . 7 Barthe Philippe . . 8 Molle Virginie . . 9 Cohen-Gonsaud Martin . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1525 _Page_last 1534 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rv0020c_Nter _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv0020c_Nter $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv0020c_Nter _Molecular_mass 14773.583 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MGSQKRLVQRVERKLEQTVG DAFARIFGGSIVPQEVEALL RREAADGIQSLQGNRLLAPN EYIITLGVHDFEKLGADPEL KSTGFARDLADYIQEQGWQT YGDVVVRFEQSSNLHTGQFR ARGTVNPDVETH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 GLN 5 LYS 6 ARG 7 LEU 8 VAL 9 GLN 10 ARG 11 VAL 12 GLU 13 ARG 14 LYS 15 LEU 16 GLU 17 GLN 18 THR 19 VAL 20 GLY 21 ASP 22 ALA 23 PHE 24 ALA 25 ARG 26 ILE 27 PHE 28 GLY 29 GLY 30 SER 31 ILE 32 VAL 33 PRO 34 GLN 35 GLU 36 VAL 37 GLU 38 ALA 39 LEU 40 LEU 41 ARG 42 ARG 43 GLU 44 ALA 45 ALA 46 ASP 47 GLY 48 ILE 49 GLN 50 SER 51 LEU 52 GLN 53 GLY 54 ASN 55 ARG 56 LEU 57 LEU 58 ALA 59 PRO 60 ASN 61 GLU 62 TYR 63 ILE 64 ILE 65 THR 66 LEU 67 GLY 68 VAL 69 HIS 70 ASP 71 PHE 72 GLU 73 LYS 74 LEU 75 GLY 76 ALA 77 ASP 78 PRO 79 GLU 80 LEU 81 LYS 82 SER 83 THR 84 GLY 85 PHE 86 ALA 87 ARG 88 ASP 89 LEU 90 ALA 91 ASP 92 TYR 93 ILE 94 GLN 95 GLU 96 GLN 97 GLY 98 TRP 99 GLN 100 THR 101 TYR 102 GLY 103 ASP 104 VAL 105 VAL 106 VAL 107 ARG 108 PHE 109 GLU 110 GLN 111 SER 112 SER 113 ASN 114 LEU 115 HIS 116 THR 117 GLY 118 GLN 119 PHE 120 ARG 121 ALA 122 ARG 123 GLY 124 THR 125 VAL 126 ASN 127 PRO 128 ASP 129 VAL 130 GLU 131 THR 132 HIS 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 2LC0 "Rv0020c_nter Structure" 100.00 132 100.00 100.00 3.40e-90 DBJ BAH24322 "hypothetical protein JTY_0020 [Mycobacterium bovis BCG str. Tokyo 172]" 100.00 521 100.00 100.00 5.12e-86 DBJ BAL63843 "hypothetical protein ERDMAN_0025 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 100.00 521 100.00 100.00 5.23e-86 DBJ BAQ03850 "hypothetical protein KURONO_0028 [Mycobacterium tuberculosis str. Kurono]" 100.00 527 100.00 100.00 6.99e-86 EMBL CAL70034 "Conserved hypothetical protein TB39.8 [Mycobacterium bovis BCG str. Pasteur 1173P2]" 100.00 521 100.00 100.00 5.12e-86 EMBL CCC25094 "putative uncharacterized protein [Mycobacterium africanum GM041182]" 100.00 521 100.00 100.00 4.85e-86 EMBL CCC42360 "conserved hypothetical protein TB39.8 [Mycobacterium canettii CIPT 140010059]" 100.00 521 100.00 100.00 4.75e-86 EMBL CCC62613 "conserved hypothetical protein TB39.8 [Mycobacterium bovis BCG str. Moreau RDJ]" 100.00 521 100.00 100.00 5.12e-86 EMBL CCE35563 "TB39.8 [Mycobacterium tuberculosis UT205]" 100.00 527 100.00 100.00 6.99e-86 GB AAK44245 "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" 100.00 521 100.00 100.00 5.23e-86 GB ABQ71740 "hypothetical protein MRA_0022 [Mycobacterium tuberculosis H37Ra]" 100.00 527 100.00 100.00 6.99e-86 GB ABR04363 "conserved hypothetical protein TB39.8 [Mycobacterium tuberculosis F11]" 100.00 527 100.00 100.00 6.99e-86 GB ACT23041 "conserved hypothetical protein [Mycobacterium tuberculosis KZN 1435]" 100.00 527 100.00 100.00 6.99e-86 GB AEB02149 "conserved hypothetical protein [Mycobacterium tuberculosis KZN 4207]" 100.00 527 100.00 100.00 6.99e-86 REF NP_214534 "FHA domain-containing protein FhaA [Mycobacterium tuberculosis H37Rv]" 100.00 527 100.00 100.00 6.99e-86 REF NP_853690 "hypothetical protein Mb0020c [Mycobacterium bovis AF2122/97]" 100.00 521 99.24 99.24 1.78e-84 REF WP_003400376 "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" 100.00 521 100.00 100.00 4.85e-86 REF WP_003899777 "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" 100.00 521 100.00 100.00 5.23e-86 REF WP_003905210 "hypothetical protein [Mycobacterium tuberculosis]" 100.00 521 99.24 100.00 1.94e-85 SP P71590 "RecName: Full=FHA domain-containing protein FhaA" 100.00 527 100.00 100.00 6.99e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $entity 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis H37rv rv0020c stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET15b-tev stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details Rv0020c_Nter loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM [U-15N] stop_ save_ save_13C-15N _Saveframe_category sample _Sample_type solution _Details Rv0020c_Nter loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.44 loop_ _Vendor _Address _Electronic_address Delsuc . . stop_ loop_ _Task 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 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.2009.0721.18 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'angle prediction' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C-15N save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C-15N save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C-15N save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C-15N save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $13C-15N 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' 100 1 mM pH 6.8 0.1 pH pressure 1 . atm temperature 293 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_ _Experiment_label '3D 1H-15N NOESY' '3D HNCA' '3D HNCO' stop_ loop_ _Sample_label $15N $13C-15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rv0020c_Nter _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 4.503 0.000 1 2 1 1 MET HB2 H 2.002 0.000 2 3 1 1 MET HB3 H 2.118 0.000 2 4 1 1 MET HG2 H 2.545 0.000 2 5 1 1 MET HG3 H 2.606 0.000 2 6 1 1 MET H H 8.457 0.000 1 7 1 1 MET C C 176.680 0.000 1 8 1 1 MET CA C 55.910 0.000 1 9 1 1 MET CB C 33.090 0.000 1 10 1 1 MET N N 122.030 0.000 1 11 2 2 GLY H H 8.468 0.000 1 12 2 2 GLY HA2 H 4.041 0.000 2 13 2 2 GLY HA3 H 4.041 0.000 2 14 2 2 GLY C C 174.260 0.000 1 15 2 2 GLY CA C 45.460 0.000 1 16 2 2 GLY N N 110.590 0.000 1 17 3 3 SER H H 8.235 0.000 1 18 3 3 SER HA H 4.463 0.000 1 19 3 3 SER HB2 H 3.895 0.000 2 20 3 3 SER HB3 H 3.895 0.000 2 21 3 3 SER C C 174.820 0.000 1 22 3 3 SER CA C 58.630 0.000 1 23 3 3 SER CB C 64.220 0.000 1 24 3 3 SER N N 115.520 0.000 1 25 4 4 GLN H H 8.445 0.000 1 26 4 4 GLN HA H 4.373 0.000 1 27 4 4 GLN HB2 H 2.011 0.000 2 28 4 4 GLN HB3 H 2.146 0.000 2 29 4 4 GLN HG2 H 2.389 0.000 2 30 4 4 GLN HG3 H 2.389 0.000 2 31 4 4 GLN C C 176.130 0.000 1 32 4 4 GLN CA C 56.150 0.000 1 33 4 4 GLN CB C 29.740 0.000 1 34 4 4 GLN N N 122.370 0.000 1 35 5 5 LYS H H 8.277 0.000 1 36 5 5 LYS HA H 4.344 0.000 1 37 5 5 LYS HB3 H 1.830 0.000 2 38 5 5 LYS HG3 H 1.619 0.000 2 39 5 5 LYS HD3 H 1.756 0.000 2 40 5 5 LYS HE3 H 3.214 0.000 2 41 5 5 LYS CA C 56.620 0.000 1 42 5 5 LYS CB C 30.980 0.000 1 43 5 5 LYS N N 122.710 0.000 1 44 6 6 ARG H H 8.360 0.000 1 45 6 6 ARG HA H 4.325 0.000 1 46 6 6 ARG HB2 H 1.756 0.000 2 47 6 6 ARG HB3 H 1.840 0.000 2 48 6 6 ARG HG2 H 1.626 0.000 2 49 6 6 ARG HG3 H 1.626 0.000 2 50 6 6 ARG HD2 H 3.207 0.000 2 51 6 6 ARG HD3 H 3.207 0.000 2 52 6 6 ARG C C 175.980 0.000 1 53 6 6 ARG CA C 56.200 0.000 1 54 6 6 ARG CB C 31.120 0.000 1 55 6 6 ARG N N 122.610 0.000 1 56 7 7 LEU H H 8.280 0.000 1 57 7 7 LEU HA H 4.394 0.000 1 58 7 7 LEU HB2 H 1.618 0.000 2 59 7 7 LEU HB3 H 1.618 0.000 2 60 7 7 LEU HG H 1.618 0.000 1 61 7 7 LEU HD1 H 0.891 0.000 . 62 7 7 LEU HD2 H 0.891 0.000 . 63 7 7 LEU C C 177.100 0.000 1 64 7 7 LEU CA C 55.340 0.000 1 65 7 7 LEU CB C 42.540 0.000 1 66 7 7 LEU N N 124.340 0.000 1 67 8 8 VAL H H 8.079 0.000 1 68 8 8 VAL HA H 4.104 0.000 1 69 8 8 VAL HB H 2.055 0.000 1 70 8 8 VAL HG1 H 0.933 0.000 . 71 8 8 VAL HG2 H 0.933 0.000 . 72 8 8 VAL C C 175.960 0.000 1 73 8 8 VAL CA C 62.460 0.000 1 74 8 8 VAL CB C 33.090 0.000 1 75 8 8 VAL N N 121.580 0.000 1 76 9 9 GLN H H 8.395 0.000 1 77 9 9 GLN HA H 4.368 0.000 1 78 9 9 GLN HB2 H 1.975 0.000 2 79 9 9 GLN HB3 H 2.075 0.000 2 80 9 9 GLN HG2 H 2.345 0.000 2 81 9 9 GLN HG3 H 2.345 0.000 2 82 9 9 GLN CA C 55.890 0.000 1 83 9 9 GLN N N 124.600 0.000 1 84 10 10 ARG H H 8.369 0.000 1 85 10 10 ARG HA H 4.363 0.000 1 86 10 10 ARG HB2 H 1.759 0.000 2 87 10 10 ARG HB3 H 1.832 0.000 2 88 10 10 ARG HG2 H 1.584 0.000 2 89 10 10 ARG HG3 H 1.619 0.000 2 90 10 10 ARG HD2 H 3.209 0.000 2 91 10 10 ARG HD3 H 3.209 0.000 2 92 10 10 ARG HE H 7.240 0.000 1 93 10 10 ARG C C 176.060 0.000 1 94 10 10 ARG CA C 56.670 0.000 1 95 10 10 ARG CB C 31.200 0.000 1 96 10 10 ARG N N 123.450 0.000 1 97 10 10 ARG NE N 84.990 0.000 1 98 11 11 VAL H H 8.210 0.000 1 99 11 11 VAL HA H 4.115 0.000 1 100 11 11 VAL HB H 2.051 0.000 1 101 11 11 VAL HG1 H 0.933 0.000 . 102 11 11 VAL HG2 H 0.933 0.000 . 103 11 11 VAL C C 175.980 0.000 1 104 11 11 VAL CA C 62.510 0.000 1 105 11 11 VAL CB C 33.090 0.000 1 106 11 11 VAL N N 122.280 0.000 1 107 12 12 GLU H H 8.495 0.000 1 108 12 12 GLU HA H 4.330 0.000 1 109 12 12 GLU HB2 H 1.940 0.000 2 110 12 12 GLU HB3 H 2.045 0.000 2 111 12 12 GLU HG2 H 2.202 0.000 2 112 12 12 GLU HG3 H 2.285 0.000 2 113 12 12 GLU CA C 56.400 0.000 1 114 12 12 GLU N N 125.400 0.000 1 115 14 14 LYS C C 176.590 0.000 1 116 14 14 LYS CA C 56.650 0.000 1 117 14 14 LYS CB C 33.200 0.000 1 118 15 15 LEU H H 8.282 0.000 1 119 15 15 LEU HA H 4.335 0.000 1 120 15 15 LEU HB2 H 1.622 0.000 2 121 15 15 LEU HB3 H 1.622 0.000 2 122 15 15 LEU HG H 1.622 0.000 1 123 15 15 LEU HD1 H 0.887 0.000 . 124 15 15 LEU HD2 H 0.887 0.000 . 125 15 15 LEU C C 177.420 0.000 1 126 15 15 LEU CA C 55.550 0.000 1 127 15 15 LEU CB C 42.540 0.000 1 128 15 15 LEU N N 123.940 0.000 1 129 16 16 GLU H H 8.522 0.000 1 130 16 16 GLU HA H 4.291 0.000 1 131 16 16 GLU HB2 H 1.947 0.000 2 132 16 16 GLU HB3 H 2.067 0.000 2 133 16 16 GLU HG2 H 2.306 0.000 2 134 16 16 GLU HG3 H 2.306 0.000 2 135 16 16 GLU C C 176.520 0.000 1 136 16 16 GLU CB C 30.320 0.000 1 137 16 16 GLU N N 122.500 0.000 1 138 17 17 GLN H H 8.368 0.000 1 139 17 17 GLN HA H 4.390 0.000 1 140 17 17 GLN HB2 H 2.029 0.000 2 141 17 17 GLN HB3 H 2.128 0.000 2 142 17 17 GLN HG2 H 2.375 0.000 2 143 17 17 GLN HG3 H 2.375 0.000 2 144 17 17 GLN C C 176.270 0.000 1 145 17 17 GLN CA C 56.400 0.000 1 146 17 17 GLN CB C 30.250 0.000 1 147 17 17 GLN N N 121.280 0.000 1 148 18 18 THR H H 8.255 0.000 1 149 18 18 THR HA H 4.369 0.000 1 150 18 18 THR HB H 4.256 0.000 1 151 18 18 THR HG2 H 1.211 0.000 . 152 18 18 THR C C 175.020 0.000 1 153 18 18 THR CA C 62.260 0.000 1 154 18 18 THR CB C 70.110 0.000 1 155 18 18 THR N N 115.050 0.000 1 156 19 19 VAL H H 8.133 0.000 1 157 19 19 VAL HA H 4.103 0.000 1 158 19 19 VAL HB H 2.078 0.000 1 159 19 19 VAL HG1 H 0.896 0.000 . 160 19 19 VAL HG2 H 0.896 0.000 . 161 19 19 VAL C C 176.870 0.000 1 162 19 19 VAL CA C 63.310 0.000 1 163 19 19 VAL CB C 32.720 0.000 1 164 19 19 VAL N N 121.870 0.000 1 165 20 20 GLY H H 8.365 0.000 1 166 20 20 GLY HA2 H 3.949 0.000 2 167 20 20 GLY HA3 H 3.949 0.000 2 168 20 20 GLY C C 174.530 0.000 1 169 20 20 GLY CA C 45.950 0.000 1 170 20 20 GLY N N 111.210 0.000 1 171 21 21 ASP H H 8.172 0.000 1 172 21 21 ASP HA H 4.583 0.000 1 173 21 21 ASP HB2 H 2.727 0.000 2 174 21 21 ASP HB3 H 2.727 0.000 2 175 21 21 ASP C C 176.860 0.000 1 176 21 21 ASP CA C 55.120 0.000 1 177 21 21 ASP CB C 41.600 0.000 1 178 21 21 ASP N N 121.170 0.000 1 179 22 22 ALA H H 8.266 0.000 1 180 22 22 ALA HA H 4.106 0.000 1 181 22 22 ALA HB H 1.374 0.000 . 182 22 22 ALA C C 179.020 0.000 1 183 22 22 ALA CA C 54.640 0.000 1 184 22 22 ALA CB C 19.270 0.000 1 185 22 22 ALA N N 123.770 0.000 1 186 23 23 PHE H H 8.299 0.000 1 187 23 23 PHE HA H 4.288 0.000 1 188 23 23 PHE HB2 H 3.207 0.000 2 189 23 23 PHE HB3 H 3.207 0.000 2 190 23 23 PHE HD1 H 7.211 0.000 3 191 23 23 PHE HD2 H 7.211 0.000 3 192 23 23 PHE HE1 H 7.086 0.000 3 193 23 23 PHE HE2 H 7.086 0.000 3 194 23 23 PHE CA C 60.350 0.000 1 195 23 23 PHE CB C 39.630 0.000 1 196 23 23 PHE N N 117.830 0.000 1 197 24 24 ALA H H 8.119 0.000 1 198 24 24 ALA HA H 4.266 0.000 1 199 24 24 ALA HB H 1.531 0.000 . 200 24 24 ALA C C 179.450 0.000 1 201 24 24 ALA CA C 54.390 0.000 1 202 24 24 ALA CB C 19.270 0.000 1 203 24 24 ALA N N 121.740 0.000 1 204 25 25 ARG H H 7.912 0.000 1 205 25 25 ARG HA H 4.207 0.000 1 206 25 25 ARG HB2 H 1.829 0.000 2 207 25 25 ARG HB3 H 1.909 0.000 2 208 25 25 ARG HG2 H 1.607 0.000 2 209 25 25 ARG HG3 H 1.708 0.000 2 210 25 25 ARG HD2 H 3.204 0.000 2 211 25 25 ARG HD3 H 3.204 0.000 2 212 25 25 ARG HE H 7.291 0.000 1 213 25 25 ARG C C 177.740 0.000 1 214 25 25 ARG CA C 57.550 0.000 1 215 25 25 ARG CB C 30.760 0.000 1 216 25 25 ARG N N 117.100 0.000 1 217 25 25 ARG NE N 84.630 0.000 1 218 26 26 ILE H H 7.691 0.000 1 219 26 26 ILE HA H 3.820 0.000 1 220 26 26 ILE HB H 1.451 0.000 1 221 26 26 ILE HG13 H 0.930 0.000 2 222 26 26 ILE HG2 H 0.181 0.000 . 223 26 26 ILE HD1 H 0.623 0.000 . 224 26 26 ILE CA C 63.340 0.000 1 225 26 26 ILE N N 118.860 0.000 1 226 27 27 PHE H H 7.982 0.000 1 227 27 27 PHE HA H 4.646 0.000 1 228 27 27 PHE HB2 H 2.827 0.000 2 229 27 27 PHE HB3 H 3.329 0.000 2 230 27 27 PHE HD1 H 6.989 0.000 3 231 27 27 PHE HD2 H 6.989 0.000 3 232 27 27 PHE HE1 H 6.880 0.000 3 233 27 27 PHE HE2 H 6.880 0.000 3 234 27 27 PHE C C 177.120 0.000 1 235 27 27 PHE CB C 39.850 0.000 1 236 27 27 PHE N N 116.810 0.000 1 237 28 28 GLY H H 8.134 0.000 1 238 28 28 GLY HA2 H 4.000 0.000 2 239 28 28 GLY HA3 H 4.020 0.000 2 240 28 28 GLY C C 174.830 0.000 1 241 28 28 GLY CA C 46.830 0.000 1 242 28 28 GLY N N 109.870 0.000 1 243 29 29 GLY H H 8.413 0.000 1 244 29 29 GLY HA2 H 3.897 0.000 2 245 29 29 GLY HA3 H 4.207 0.000 2 246 29 29 GLY C C 174.620 0.000 1 247 29 29 GLY CA C 45.330 0.000 1 248 29 29 GLY N N 108.310 0.000 1 249 30 30 SER H H 8.026 0.000 1 250 30 30 SER HA H 4.440 0.000 1 251 30 30 SER HB3 H 3.975 0.000 2 252 30 30 SER CA C 59.770 0.000 1 253 30 30 SER N N 115.290 0.000 1 254 34 34 GLN HA H 4.072 0.000 1 255 35 35 GLU HA H 4.193 0.000 1 256 36 36 VAL HA H 3.332 0.000 1 257 36 36 VAL HB H 1.834 0.000 1 258 36 36 VAL HG1 H 0.101 0.000 . 259 36 36 VAL HG2 H -0.010 0.000 . 260 36 36 VAL C C 177.720 0.000 1 261 36 36 VAL CA C 66.180 0.000 1 262 36 36 VAL CB C 31.200 0.000 1 263 37 37 GLU H H 8.179 0.000 1 264 37 37 GLU HA H 3.795 0.000 1 265 37 37 GLU HB2 H 2.010 0.000 2 266 37 37 GLU HB3 H 2.130 0.000 2 267 37 37 GLU HG2 H 2.346 0.000 2 268 37 37 GLU HG3 H 2.530 0.000 2 269 37 37 GLU C C 178.760 0.000 1 270 37 37 GLU CA C 60.360 0.000 1 271 37 37 GLU CB C 28.650 0.000 1 272 37 37 GLU N N 117.300 0.000 1 273 38 38 ALA H H 7.796 0.000 1 274 38 38 ALA HA H 3.898 0.000 1 275 38 38 ALA HB H 1.497 0.000 . 276 38 38 ALA C C 180.370 0.000 1 277 38 38 ALA CA C 55.380 0.000 1 278 38 38 ALA CB C 18.320 0.000 1 279 38 38 ALA N N 120.320 0.000 1 280 39 39 LEU H H 7.596 0.000 1 281 39 39 LEU HA H 4.206 0.000 1 282 39 39 LEU HB2 H 1.748 0.000 2 283 39 39 LEU HB3 H 1.947 0.000 2 284 39 39 LEU HG H 1.640 0.000 1 285 39 39 LEU HD1 H 0.999 0.000 . 286 39 39 LEU HD2 H 0.937 0.000 . 287 39 39 LEU C C 178.990 0.000 1 288 39 39 LEU CA C 57.850 0.000 1 289 39 39 LEU CB C 42.030 0.000 1 290 39 39 LEU N N 120.470 0.000 1 291 40 40 LEU H H 8.124 0.000 1 292 40 40 LEU HA H 3.714 0.000 1 293 40 40 LEU HB2 H 1.125 0.000 2 294 40 40 LEU HB3 H 1.863 0.000 2 295 40 40 LEU HG H 0.926 0.000 1 296 40 40 LEU HD1 H 0.564 0.000 . 297 40 40 LEU HD2 H 0.365 0.000 . 298 40 40 LEU C C 178.160 0.000 1 299 40 40 LEU CA C 58.390 0.000 1 300 40 40 LEU CB C 41.380 0.000 1 301 40 40 LEU N N 119.170 0.000 1 302 41 41 ARG H H 7.855 0.000 1 303 41 41 ARG HA H 3.650 0.000 1 304 41 41 ARG HB2 H 1.215 0.000 2 305 41 41 ARG HB3 H 1.215 0.000 2 306 41 41 ARG HG2 H 0.369 0.000 2 307 41 41 ARG HG3 H 1.622 0.000 2 308 41 41 ARG HD2 H 2.340 0.000 2 309 41 41 ARG HD3 H 2.340 0.000 2 310 41 41 ARG HE H 7.003 0.000 1 311 41 41 ARG C C 179.120 0.000 1 312 41 41 ARG CA C 60.440 0.000 1 313 41 41 ARG CB C 30.830 0.000 1 314 41 41 ARG N N 116.080 0.000 1 315 41 41 ARG NE N 84.210 0.000 1 316 42 42 ARG H H 7.646 0.000 1 317 42 42 ARG HA H 4.140 0.000 1 318 42 42 ARG HB2 H 2.027 0.000 2 319 42 42 ARG HB3 H 2.132 0.000 2 320 42 42 ARG HG2 H 1.720 0.000 2 321 42 42 ARG HG3 H 1.821 0.000 2 322 42 42 ARG HD2 H 3.259 0.000 2 323 42 42 ARG HD3 H 3.259 0.000 2 324 42 42 ARG HE H 7.385 0.000 1 325 42 42 ARG C C 178.230 0.000 1 326 42 42 ARG CA C 59.350 0.000 1 327 42 42 ARG CB C 30.470 0.000 1 328 42 42 ARG N N 120.230 0.000 1 329 42 42 ARG NE N 85.400 0.000 1 330 43 43 GLU H H 8.419 0.000 1 331 43 43 GLU HA H 4.120 0.000 1 332 43 43 GLU HB2 H 2.269 0.000 2 333 43 43 GLU HB3 H 2.124 0.000 2 334 43 43 GLU HG2 H 2.569 0.000 2 335 43 43 GLU HG3 H 2.569 0.000 2 336 43 43 GLU C C 179.380 0.000 1 337 43 43 GLU CA C 58.610 0.000 1 338 43 43 GLU CB C 28.940 0.000 1 339 43 43 GLU N N 118.470 0.000 1 340 44 44 ALA H H 8.398 0.000 1 341 44 44 ALA HA H 4.266 0.000 1 342 44 44 ALA HB H 1.787 0.000 . 343 44 44 ALA C C 177.730 0.000 1 344 44 44 ALA CA C 55.850 0.000 1 345 44 44 ALA CB C 19.410 0.000 1 346 44 44 ALA N N 122.740 0.000 1 347 45 45 ALA H H 7.722 0.000 1 348 45 45 ALA HA H 3.873 0.000 1 349 45 45 ALA HB H 1.758 0.000 . 350 45 45 ALA C C 181.020 0.000 1 351 45 45 ALA CA C 54.570 0.000 1 352 45 45 ALA CB C 19.190 0.000 1 353 45 45 ALA N N 116.270 0.000 1 354 46 46 ASP H H 8.613 0.000 1 355 46 46 ASP HA H 4.528 0.000 1 356 46 46 ASP HB2 H 2.799 0.000 2 357 46 46 ASP HB3 H 2.799 0.000 2 358 46 46 ASP C C 177.380 0.000 1 359 46 46 ASP CA C 55.580 0.000 1 360 46 46 ASP CB C 40.210 0.000 1 361 46 46 ASP N N 116.420 0.000 1 362 47 47 GLY H H 7.626 0.000 1 363 47 47 GLY HA2 H 3.362 0.000 2 364 47 47 GLY HA3 H 4.358 0.000 2 365 47 47 GLY C C 173.770 0.000 1 366 47 47 GLY CA C 45.040 0.000 1 367 47 47 GLY N N 106.700 0.000 1 368 48 48 ILE H H 6.677 0.000 1 369 48 48 ILE HA H 4.258 0.000 1 370 48 48 ILE HB H 1.466 0.000 1 371 48 48 ILE HG12 H 0.829 0.000 2 372 48 48 ILE HG13 H 1.082 0.000 2 373 48 48 ILE HG2 H 0.265 0.000 . 374 48 48 ILE HD1 H -0.310 0.000 . 375 48 48 ILE C C 176.330 0.000 1 376 48 48 ILE CA C 60.710 0.000 1 377 48 48 ILE CB C 38.250 0.000 1 378 48 48 ILE N N 119.010 0.000 1 379 49 49 GLN H H 8.780 0.000 1 380 49 49 GLN HA H 4.620 0.000 1 381 49 49 GLN HB2 H 1.801 0.000 2 382 49 49 GLN HB3 H 2.032 0.000 2 383 49 49 GLN HG2 H 2.051 0.000 2 384 49 49 GLN HG3 H 2.314 0.000 2 385 49 49 GLN HE21 H 6.752 0.000 2 386 49 49 GLN HE22 H 7.531 0.000 2 387 49 49 GLN C C 174.690 0.000 1 388 49 49 GLN CA C 53.870 0.000 1 389 49 49 GLN N N 123.840 0.000 1 390 49 49 GLN NE2 N 111.580 0.000 1 391 50 50 SER H H 8.603 0.000 1 392 50 50 SER HA H 4.706 0.000 1 393 50 50 SER HB2 H 3.776 0.000 2 394 50 50 SER HB3 H 3.810 0.000 2 395 50 50 SER C C 174.210 0.000 1 396 50 50 SER CA C 58.420 0.000 1 397 50 50 SER CB C 63.930 0.000 1 398 50 50 SER N N 117.830 0.000 1 399 51 51 LEU H H 8.464 0.000 1 400 51 51 LEU HA H 4.654 0.000 1 401 51 51 LEU HB2 H 1.544 0.000 2 402 51 51 LEU HB3 H 1.610 0.000 2 403 51 51 LEU HG H 1.491 0.000 1 404 51 51 LEU HD1 H 1.037 0.000 . 405 51 51 LEU HD2 H 0.835 0.000 . 406 51 51 LEU C C 176.660 0.000 1 407 51 51 LEU CA C 53.570 0.000 1 408 51 51 LEU CB C 44.580 0.000 1 409 51 51 LEU N N 126.520 0.000 1 410 52 52 GLN H H 8.280 0.000 1 411 52 52 GLN HA H 4.178 0.000 1 412 52 52 GLN HB3 H 2.104 0.000 2 413 52 52 GLN HG3 H 2.446 0.000 2 414 52 52 GLN C C 176.500 0.000 1 415 52 52 GLN CA C 57.240 0.000 1 416 52 52 GLN CB C 29.090 0.000 1 417 52 52 GLN N N 119.200 0.000 1 418 53 53 GLY H H 8.705 0.000 1 419 53 53 GLY HA2 H 3.765 0.000 2 420 53 53 GLY HA3 H 4.052 0.000 2 421 53 53 GLY C C 175.030 0.000 1 422 53 53 GLY CA C 46.190 0.000 1 423 53 53 GLY N N 110.730 0.000 1 424 54 54 ASN H H 8.489 0.000 1 425 54 54 ASN HA H 4.575 0.000 1 426 54 54 ASN HB2 H 2.893 0.000 2 427 54 54 ASN HB3 H 3.051 0.000 2 428 54 54 ASN HD21 H 6.880 0.000 2 429 54 54 ASN HD22 H 7.551 0.000 2 430 54 54 ASN C C 174.510 0.000 1 431 54 54 ASN CA C 53.990 0.000 1 432 54 54 ASN CB C 40.430 0.000 1 433 54 54 ASN N N 116.510 0.000 1 434 54 54 ASN ND2 N 112.490 0.000 1 435 55 55 ARG H H 7.209 0.000 1 436 55 55 ARG HA H 4.559 0.000 1 437 55 55 ARG HB2 H 1.746 0.000 2 438 55 55 ARG HB3 H 1.746 0.000 2 439 55 55 ARG HG2 H 1.676 0.000 2 440 55 55 ARG HG3 H 1.676 0.000 2 441 55 55 ARG HD2 H 3.220 0.000 2 442 55 55 ARG HD3 H 3.275 0.000 2 443 55 55 ARG HE H 7.046 0.000 1 444 55 55 ARG C C 174.960 0.000 1 445 55 55 ARG CA C 55.520 0.000 1 446 55 55 ARG CB C 32.800 0.000 1 447 55 55 ARG N N 118.030 0.000 1 448 55 55 ARG NE N 84.840 0.000 1 449 56 56 LEU H H 8.616 0.000 1 450 56 56 LEU HA H 4.842 0.000 1 451 56 56 LEU HB2 H 1.075 0.000 2 452 56 56 LEU HB3 H 1.896 0.000 2 453 56 56 LEU HG H 1.629 0.000 1 454 56 56 LEU HD1 H 1.039 0.000 . 455 56 56 LEU HD2 H 0.792 0.000 . 456 56 56 LEU C C 174.220 0.000 1 457 56 56 LEU CA C 54.330 0.000 1 458 56 56 LEU CB C 44.780 0.000 1 459 56 56 LEU N N 124.430 0.000 1 460 57 57 LEU H H 8.774 0.000 1 461 57 57 LEU HA H 4.618 0.000 1 462 57 57 LEU HB2 H 1.034 0.000 2 463 57 57 LEU HB3 H 1.570 0.000 2 464 57 57 LEU HG H 1.098 0.000 1 465 57 57 LEU HD1 H 0.230 0.000 . 466 57 57 LEU HD2 H 0.492 0.000 . 467 57 57 LEU C C 174.640 0.000 1 468 57 57 LEU CA C 53.000 0.000 1 469 57 57 LEU CB C 45.480 0.000 1 470 57 57 LEU N N 125.350 0.000 1 471 58 58 ALA H H 9.097 0.000 1 472 58 58 ALA HA H 4.716 0.000 1 473 58 58 ALA HB H 1.267 0.000 . 474 58 58 ALA CA C 48.510 0.000 1 475 58 58 ALA N N 128.280 0.000 1 476 59 59 PRO HA H 3.895 0.000 1 477 59 59 PRO HB2 H 1.680 0.000 2 478 59 59 PRO HB3 H 1.337 0.000 2 479 59 59 PRO HG2 H 1.225 0.000 2 480 59 59 PRO HG3 H 1.783 0.000 2 481 59 59 PRO HD2 H 3.320 0.000 2 482 59 59 PRO HD3 H 3.468 0.000 2 483 59 59 PRO C C 174.700 0.000 1 484 59 59 PRO CA C 63.340 0.000 1 485 60 60 ASN H H 8.122 0.000 1 486 60 60 ASN HA H 5.285 0.000 1 487 60 60 ASN HB2 H 2.564 0.000 2 488 60 60 ASN HB3 H 3.029 0.000 2 489 60 60 ASN HD21 H 7.850 0.000 2 490 60 60 ASN HD22 H 8.130 0.000 2 491 60 60 ASN C C 171.130 0.000 1 492 60 60 ASN CA C 53.640 0.000 1 493 60 60 ASN CB C 40.130 0.000 1 494 60 60 ASN N N 115.290 0.000 1 495 60 60 ASN ND2 N 118.260 0.000 1 496 61 61 GLU H H 8.208 0.000 1 497 61 61 GLU HA H 5.085 0.000 1 498 61 61 GLU HB2 H 1.540 0.000 2 499 61 61 GLU HB3 H 1.895 0.000 2 500 61 61 GLU HG2 H 1.980 0.000 2 501 61 61 GLU HG3 H 2.141 0.000 2 502 61 61 GLU C C 173.720 0.000 1 503 61 61 GLU CA C 55.060 0.000 1 504 61 61 GLU CB C 31.250 0.000 1 505 61 61 GLU N N 122.910 0.000 1 506 62 62 TYR H H 9.002 0.000 1 507 62 62 TYR HA H 5.289 0.000 1 508 62 62 TYR HB2 H 2.458 0.000 2 509 62 62 TYR HB3 H 2.898 0.000 2 510 62 62 TYR HD1 H 6.841 0.000 3 511 62 62 TYR HD2 H 6.841 0.000 3 512 62 62 TYR HE1 H 6.435 0.000 3 513 62 62 TYR HE2 H 6.435 0.000 3 514 62 62 TYR C C 174.170 0.000 1 515 62 62 TYR CA C 56.630 0.000 1 516 62 62 TYR CB C 41.250 0.000 1 517 62 62 TYR N N 126.570 0.000 1 518 63 63 ILE H H 8.791 0.000 1 519 63 63 ILE HA H 4.777 0.000 1 520 63 63 ILE HB H 1.536 0.000 1 521 63 63 ILE HG12 H 0.986 0.000 2 522 63 63 ILE HG13 H 1.274 0.000 2 523 63 63 ILE HG2 H 0.622 0.000 . 524 63 63 ILE HD1 H 0.660 0.000 . 525 63 63 ILE C C 176.590 0.000 1 526 63 63 ILE CA C 59.760 0.000 1 527 63 63 ILE CB C 40.760 0.000 1 528 63 63 ILE N N 122.240 0.000 1 529 64 64 ILE H H 9.161 0.000 1 530 64 64 ILE HA H 4.951 0.000 1 531 64 64 ILE HB H 1.756 0.000 1 532 64 64 ILE HG12 H 1.257 0.000 2 533 64 64 ILE HG13 H 1.584 0.000 2 534 64 64 ILE HG2 H 0.961 0.000 . 535 64 64 ILE HD1 H 0.669 0.000 . 536 64 64 ILE C C 174.730 0.000 1 537 64 64 ILE CA C 59.490 0.000 1 538 64 64 ILE CB C 39.070 0.000 1 539 64 64 ILE N N 130.580 0.000 1 540 65 65 THR H H 9.230 0.000 1 541 65 65 THR HA H 5.007 0.000 1 542 65 65 THR HB H 3.699 0.000 1 543 65 65 THR HG2 H 1.159 0.000 . 544 65 65 THR C C 172.730 0.000 1 545 65 65 THR CA C 62.130 0.000 1 546 65 65 THR CB C 69.720 0.000 1 547 65 65 THR N N 125.550 0.000 1 548 66 66 LEU H H 8.749 0.000 1 549 66 66 LEU HA H 5.126 0.000 1 550 66 66 LEU HB2 H 1.883 0.000 2 551 66 66 LEU HB3 H 2.056 0.000 2 552 66 66 LEU HG H 1.477 0.000 1 553 66 66 LEU HD1 H 0.965 0.000 . 554 66 66 LEU HD2 H 0.673 0.000 . 555 66 66 LEU C C 177.010 0.000 1 556 66 66 LEU CA C 53.070 0.000 1 557 66 66 LEU N N 124.820 0.000 1 558 67 67 GLY H H 9.858 0.000 1 559 67 67 GLY HA2 H 3.587 0.000 2 560 67 67 GLY HA3 H 4.978 0.000 2 561 67 67 GLY C C 174.440 0.000 1 562 67 67 GLY CA C 44.820 0.000 1 563 67 67 GLY N N 107.920 0.000 1 564 68 68 VAL H H 8.147 0.000 1 565 68 68 VAL HA H 3.689 0.000 1 566 68 68 VAL HB H 1.908 0.000 1 567 68 68 VAL HG1 H 0.941 0.000 . 568 68 68 VAL HG2 H 0.864 0.000 . 569 68 68 VAL C C 178.070 0.000 1 570 68 68 VAL CA C 66.680 0.000 1 571 68 68 VAL CB C 32.370 0.000 1 572 68 68 VAL N N 117.300 0.000 1 573 69 69 HIS H H 8.515 0.000 1 574 69 69 HIS HA H 4.456 0.000 1 575 69 69 HIS HB2 H 3.261 0.000 2 576 69 69 HIS HB3 H 3.331 0.000 2 577 69 69 HIS C C 177.610 0.000 1 578 69 69 HIS CA C 59.190 0.000 1 579 69 69 HIS CB C 28.500 0.000 1 580 69 69 HIS N N 116.220 0.000 1 581 70 70 ASP H H 8.597 0.000 1 582 70 70 ASP HA H 4.615 0.000 1 583 70 70 ASP HB2 H 2.609 0.000 2 584 70 70 ASP HB3 H 2.743 0.000 2 585 70 70 ASP C C 177.740 0.000 1 586 70 70 ASP CA C 57.390 0.000 1 587 70 70 ASP CB C 40.760 0.000 1 588 70 70 ASP N N 119.910 0.000 1 589 71 71 PHE H H 8.952 0.000 1 590 71 71 PHE HA H 3.893 0.000 1 591 71 71 PHE HB2 H 3.061 0.000 2 592 71 71 PHE HB3 H 3.220 0.000 2 593 71 71 PHE HD1 H 6.991 0.000 3 594 71 71 PHE HD2 H 6.991 0.000 3 595 71 71 PHE HE1 H 7.169 0.000 3 596 71 71 PHE HE2 H 7.169 0.000 3 597 71 71 PHE HZ H 7.313 0.000 1 598 71 71 PHE C C 179.010 0.000 1 599 71 71 PHE CA C 62.170 0.000 1 600 71 71 PHE CB C 40.130 0.000 1 601 71 71 PHE N N 121.200 0.000 1 602 72 72 GLU H H 8.255 0.000 1 603 72 72 GLU HA H 4.020 0.000 1 604 72 72 GLU HB2 H 2.103 0.000 2 605 72 72 GLU HB3 H 2.266 0.000 2 606 72 72 GLU HG2 H 2.458 0.000 2 607 72 72 GLU HG3 H 2.739 0.000 2 608 72 72 GLU C C 179.170 0.000 1 609 72 72 GLU CA C 58.920 0.000 1 610 72 72 GLU CB C 29.200 0.000 1 611 72 72 GLU N N 117.880 0.000 1 612 73 73 LYS H H 7.425 0.000 1 613 73 73 LYS HA H 3.988 0.000 1 614 73 73 LYS HB2 H 1.750 0.000 2 615 73 73 LYS HB3 H 1.940 0.000 2 616 73 73 LYS HG3 H 1.415 0.000 2 617 73 73 LYS HD3 H 1.630 0.000 2 618 73 73 LYS C C 177.840 0.000 1 619 73 73 LYS CA C 57.730 0.000 1 620 73 73 LYS CB C 32.520 0.000 1 621 73 73 LYS N N 118.180 0.000 1 622 74 74 LEU H H 7.418 0.000 1 623 74 74 LEU HA H 3.784 0.000 1 624 74 74 LEU HB2 H 1.102 0.000 2 625 74 74 LEU HB3 H 1.453 0.000 2 626 74 74 LEU HG H 0.870 0.000 1 627 74 74 LEU HD1 H 0.249 0.000 . 628 74 74 LEU HD2 H 0.089 0.000 . 629 74 74 LEU C C 177.590 0.000 1 630 74 74 LEU CA C 56.740 0.000 1 631 74 74 LEU CB C 42.240 0.000 1 632 74 74 LEU N N 117.740 0.000 1 633 75 75 GLY H H 7.320 0.000 1 634 75 75 GLY HA2 H 3.688 0.000 2 635 75 75 GLY HA3 H 3.871 0.000 2 636 75 75 GLY C C 173.670 0.000 1 637 75 75 GLY CA C 45.080 0.000 1 638 75 75 GLY N N 103.440 0.000 1 639 76 76 ALA H H 7.862 0.000 1 640 76 76 ALA HA H 4.199 0.000 1 641 76 76 ALA HB H 1.395 0.000 . 642 76 76 ALA C C 177.420 0.000 1 643 76 76 ALA CA C 53.110 0.000 1 644 76 76 ALA CB C 19.620 0.000 1 645 76 76 ALA N N 120.860 0.000 1 646 77 77 ASP H H 8.077 0.000 1 647 77 77 ASP HA H 5.038 0.000 1 648 77 77 ASP HB2 H 2.885 0.000 2 649 77 77 ASP HB3 H 2.594 0.000 2 650 77 77 ASP CA C 51.770 0.000 1 651 77 77 ASP N N 115.980 0.000 1 652 78 78 PRO HA H 4.148 0.000 1 653 78 78 PRO HB2 H 2.344 0.000 2 654 78 78 PRO HB3 H 2.107 0.000 2 655 78 78 PRO HG2 H 2.107 0.000 2 656 78 78 PRO HG3 H 2.344 0.000 2 657 78 78 PRO HD2 H 3.699 0.000 2 658 78 78 PRO HD3 H 3.899 0.000 2 659 78 78 PRO C C 178.110 0.000 1 660 78 78 PRO CA C 65.160 0.000 1 661 78 78 PRO CB C 32.590 0.000 1 662 79 79 GLU H H 8.624 0.000 1 663 79 79 GLU HA H 4.430 0.000 1 664 79 79 GLU HB2 H 2.185 0.000 2 665 79 79 GLU HB3 H 2.185 0.000 2 666 79 79 GLU HG2 H 2.498 0.000 2 667 79 79 GLU HG3 H 2.498 0.000 2 668 79 79 GLU C C 178.750 0.000 1 669 79 79 GLU CA C 58.530 0.000 1 670 79 79 GLU CB C 28.710 0.000 1 671 79 79 GLU N N 117.050 0.000 1 672 80 80 LEU H H 7.809 0.000 1 673 80 80 LEU HA H 4.279 0.000 1 674 80 80 LEU HB2 H 1.669 0.000 2 675 80 80 LEU HB3 H 1.792 0.000 2 676 80 80 LEU HG H 1.403 0.000 1 677 80 80 LEU HD1 H 0.929 0.000 . 678 80 80 LEU HD2 H 0.848 0.000 . 679 80 80 LEU C C 178.490 0.000 1 680 80 80 LEU CA C 56.930 0.000 1 681 80 80 LEU CB C 42.030 0.000 1 682 80 80 LEU N N 120.660 0.000 1 683 81 81 LYS H H 7.892 0.000 1 684 81 81 LYS HA H 4.452 0.000 1 685 81 81 LYS HB3 H 2.023 0.000 2 686 81 81 LYS HG3 H 1.480 0.000 2 687 81 81 LYS HD3 H 1.650 0.000 2 688 81 81 LYS C C 177.420 0.000 1 689 81 81 LYS CA C 57.420 0.000 1 690 81 81 LYS CB C 33.010 0.000 1 691 81 81 LYS N N 117.350 0.000 1 692 82 82 SER H H 8.255 0.000 1 693 82 82 SER HA H 4.490 0.000 1 694 82 82 SER HB2 H 3.894 0.000 2 695 82 82 SER HB3 H 3.894 0.000 2 696 82 82 SER C C 175.940 0.000 1 697 82 82 SER CA C 60.330 0.000 1 698 82 82 SER CB C 64.290 0.000 1 699 82 82 SER N N 114.260 0.000 1 700 83 83 THR H H 7.703 0.000 1 701 83 83 THR HA H 4.169 0.000 1 702 83 83 THR HB H 4.127 0.000 1 703 83 83 THR HG2 H 1.307 0.000 . 704 83 83 THR C C 176.400 0.000 1 705 83 83 THR CA C 65.290 0.000 1 706 83 83 THR CB C 69.650 0.000 1 707 83 83 THR N N 115.490 0.000 1 708 84 84 GLY H H 8.397 0.000 1 709 84 84 GLY HA2 H 3.670 0.000 2 710 84 84 GLY HA3 H 3.829 0.000 2 711 84 84 GLY C C 175.860 0.000 1 712 84 84 GLY CA C 47.290 0.000 1 713 84 84 GLY N N 111.140 0.000 1 714 85 85 PHE H H 7.520 0.000 1 715 85 85 PHE HA H 4.457 0.000 1 716 85 85 PHE HB2 H 2.940 0.000 2 717 85 85 PHE HB3 H 2.940 0.000 2 718 85 85 PHE HD1 H 7.283 0.000 3 719 85 85 PHE HD2 H 7.283 0.000 3 720 85 85 PHE HE1 H 7.126 0.000 3 721 85 85 PHE HE2 H 7.126 0.000 3 722 85 85 PHE HZ H 6.662 0.000 1 723 85 85 PHE C C 178.730 0.000 1 724 85 85 PHE CA C 59.940 0.000 1 725 85 85 PHE CB C 39.070 0.000 1 726 85 85 PHE N N 118.810 0.000 1 727 86 86 ALA H H 8.213 0.000 1 728 86 86 ALA HA H 3.870 0.000 1 729 86 86 ALA HB H 1.573 0.000 . 730 86 86 ALA C C 178.640 0.000 1 731 86 86 ALA CA C 55.680 0.000 1 732 86 86 ALA CB C 18.920 0.000 1 733 86 86 ALA N N 121.340 0.000 1 734 87 87 ARG H H 8.111 0.000 1 735 87 87 ARG HA H 4.088 0.000 1 736 87 87 ARG HB2 H 1.965 0.000 2 737 87 87 ARG HB3 H 1.965 0.000 2 738 87 87 ARG HG2 H 1.760 0.000 2 739 87 87 ARG HG3 H 1.760 0.000 2 740 87 87 ARG HD2 H 3.249 0.000 2 741 87 87 ARG HD3 H 3.249 0.000 2 742 87 87 ARG HE H 7.246 0.000 1 743 87 87 ARG C C 178.580 0.000 1 744 87 87 ARG CA C 59.150 0.000 1 745 87 87 ARG CB C 30.330 0.000 1 746 87 87 ARG N N 119.250 0.000 1 747 87 87 ARG NE N 85.340 0.000 1 748 88 88 ASP H H 7.912 0.000 1 749 88 88 ASP HA H 4.420 0.000 1 750 88 88 ASP HB2 H 2.760 0.000 2 751 88 88 ASP HB3 H 2.760 0.000 2 752 88 88 ASP C C 178.980 0.000 1 753 88 88 ASP CA C 56.930 0.000 1 754 88 88 ASP CB C 39.910 0.000 1 755 88 88 ASP N N 118.370 0.000 1 756 89 89 LEU H H 8.011 0.000 1 757 89 89 LEU HA H 4.181 0.000 1 758 89 89 LEU HB2 H 1.467 0.000 2 759 89 89 LEU HB3 H 1.682 0.000 2 760 89 89 LEU HG H 1.415 0.000 1 761 89 89 LEU HD1 H 0.576 0.000 . 762 89 89 LEU HD2 H -0.010 0.000 . 763 89 89 LEU C C 178.120 0.000 1 764 89 89 LEU CA C 57.520 0.000 1 765 89 89 LEU CB C 42.730 0.000 1 766 89 89 LEU N N 123.080 0.000 1 767 90 90 ALA H H 8.770 0.000 1 768 90 90 ALA HA H 4.078 0.000 1 769 90 90 ALA HB H 1.612 0.000 . 770 90 90 ALA C C 180.680 0.000 1 771 90 90 ALA CA C 56.100 0.000 1 772 90 90 ALA CB C 18.350 0.000 1 773 90 90 ALA N N 122.190 0.000 1 774 91 91 ASP H H 8.134 0.000 1 775 91 91 ASP HA H 4.429 0.000 1 776 91 91 ASP HB2 H 2.774 0.000 2 777 91 91 ASP HB3 H 2.939 0.000 2 778 91 91 ASP C C 177.630 0.000 1 779 91 91 ASP CA C 57.390 0.000 1 780 91 91 ASP CB C 40.130 0.000 1 781 91 91 ASP N N 118.180 0.000 1 782 92 92 TYR H H 7.778 0.000 1 783 92 92 TYR HA H 4.176 0.000 1 784 92 92 TYR HB2 H 3.206 0.000 2 785 92 92 TYR HB3 H 3.206 0.000 2 786 92 92 TYR HD1 H 7.007 0.000 3 787 92 92 TYR HD2 H 7.007 0.000 3 788 92 92 TYR HE1 H 6.864 0.000 3 789 92 92 TYR HE2 H 6.864 0.000 3 790 92 92 TYR C C 176.630 0.000 1 791 92 92 TYR CA C 61.530 0.000 1 792 92 92 TYR CB C 38.500 0.000 1 793 92 92 TYR N N 122.350 0.000 1 794 93 93 ILE H H 8.629 0.000 1 795 93 93 ILE HA H 3.342 0.000 1 796 93 93 ILE HB H 2.024 0.000 1 797 93 93 ILE HG12 H 1.041 0.000 2 798 93 93 ILE HG13 H 1.218 0.000 2 799 93 93 ILE HG2 H 0.780 0.000 . 800 93 93 ILE HD1 H 0.730 0.000 . 801 93 93 ILE C C 177.710 0.000 1 802 93 93 ILE CA C 65.780 0.000 1 803 93 93 ILE CB C 39.280 0.000 1 804 93 93 ILE N N 119.940 0.000 1 805 94 94 GLN H H 7.938 0.000 1 806 94 94 GLN HA H 4.139 0.000 1 807 94 94 GLN HB2 H 2.235 0.000 2 808 94 94 GLN HB3 H 2.235 0.000 2 809 94 94 GLN HG2 H 2.437 0.000 2 810 94 94 GLN HG3 H 2.541 0.000 2 811 94 94 GLN HE21 H 6.786 0.000 2 812 94 94 GLN HE22 H 7.434 0.000 2 813 94 94 GLN C C 180.530 0.000 1 814 94 94 GLN CA C 59.020 0.000 1 815 94 94 GLN CB C 28.850 0.000 1 816 94 94 GLN N N 117.350 0.000 1 817 94 94 GLN NE2 N 111.300 0.000 1 818 95 95 GLU H H 8.321 0.000 1 819 95 95 GLU HA H 3.890 0.000 1 820 95 95 GLU HB2 H 2.128 0.000 2 821 95 95 GLU HB3 H 1.996 0.000 2 822 95 95 GLU HG2 H 2.320 0.000 2 823 95 95 GLU HG3 H 2.460 0.000 2 824 95 95 GLU C C 178.120 0.000 1 825 95 95 GLU CA C 58.730 0.000 1 826 95 95 GLU CB C 28.640 0.000 1 827 95 95 GLU N N 121.930 0.000 1 828 96 96 GLN H H 7.222 0.000 1 829 96 96 GLN HA H 3.534 0.000 1 830 96 96 GLN HB2 H -0.110 0.000 2 831 96 96 GLN HB3 H 0.428 0.000 2 832 96 96 GLN HG2 H 0.300 0.000 2 833 96 96 GLN HG3 H 1.182 0.000 2 834 96 96 GLN HE21 H 5.947 0.000 2 835 96 96 GLN HE22 H 6.594 0.000 2 836 96 96 GLN C C 176.070 0.000 1 837 96 96 GLN CA C 54.930 0.000 1 838 96 96 GLN CB C 26.950 0.000 1 839 96 96 GLN N N 115.150 0.000 1 840 96 96 GLN NE2 N 114.070 0.000 1 841 97 97 GLY H H 7.541 0.000 1 842 97 97 GLY HA2 H 3.747 0.000 2 843 97 97 GLY HA3 H 4.031 0.000 2 844 97 97 GLY C C 174.830 0.000 1 845 97 97 GLY CA C 45.240 0.000 1 846 97 97 GLY N N 105.180 0.000 1 847 98 98 TRP H H 7.171 0.000 1 848 98 98 TRP HA H 5.136 0.000 1 849 98 98 TRP HB2 H 2.985 0.000 2 850 98 98 TRP HB3 H 3.313 0.000 2 851 98 98 TRP HD1 H 6.875 0.000 1 852 98 98 TRP HE1 H 10.180 0.000 1 853 98 98 TRP HE3 H 7.255 0.000 1 854 98 98 TRP HZ2 H 7.485 0.000 1 855 98 98 TRP HZ3 H 6.766 0.000 1 856 98 98 TRP HH2 H 7.135 0.000 1 857 98 98 TRP C C 175.220 0.000 1 858 98 98 TRP CA C 54.180 0.000 1 859 98 98 TRP CB C 30.750 0.000 1 860 98 98 TRP N N 121.500 0.000 1 861 98 98 TRP NE1 N 129.010 0.000 1 862 99 99 GLN H H 9.085 0.000 1 863 99 99 GLN HA H 4.803 0.000 1 864 99 99 GLN HB2 H 1.962 0.000 2 865 99 99 GLN HB3 H 2.128 0.000 2 866 99 99 GLN HG2 H 2.313 0.000 2 867 99 99 GLN HG3 H 2.440 0.000 2 868 99 99 GLN HE21 H 6.864 0.000 2 869 99 99 GLN HE22 H 7.337 0.000 2 870 99 99 GLN C C 174.470 0.000 1 871 99 99 GLN CA C 54.430 0.000 1 872 99 99 GLN CB C 31.950 0.000 1 873 99 99 GLN N N 120.080 0.000 1 874 99 99 GLN NE2 N 111.090 0.000 1 875 100 100 THR H H 8.267 0.000 1 876 100 100 THR HA H 4.803 0.000 1 877 100 100 THR HB H 4.683 0.000 1 878 100 100 THR HG2 H 1.227 0.000 . 879 100 100 THR C C 174.950 0.000 1 880 100 100 THR CA C 60.150 0.000 1 881 100 100 THR CB C 73.030 0.000 1 882 100 100 THR N N 108.600 0.000 1 883 101 101 TYR H H 9.351 0.000 1 884 101 101 TYR HA H 5.019 0.000 1 885 101 101 TYR HB2 H 2.666 0.000 2 886 101 101 TYR HB3 H 3.255 0.000 2 887 101 101 TYR HD1 H 6.996 0.000 3 888 101 101 TYR HD2 H 6.996 0.000 3 889 101 101 TYR HE1 H 6.750 0.000 3 890 101 101 TYR HE2 H 6.750 0.000 3 891 101 101 TYR C C 175.250 0.000 1 892 101 101 TYR CA C 54.840 0.000 1 893 101 101 TYR CB C 38.430 0.000 1 894 101 101 TYR N N 121.500 0.000 1 895 102 102 GLY H H 7.425 0.000 1 896 102 102 GLY HA2 H 4.039 0.000 2 897 102 102 GLY HA3 H 4.039 0.000 2 898 102 102 GLY C C 172.470 0.000 1 899 102 102 GLY CA C 44.610 0.000 1 900 102 102 GLY N N 105.490 0.000 1 901 103 103 ASP H H 8.261 0.000 1 902 103 103 ASP HA H 4.610 0.000 1 903 103 103 ASP HB2 H 2.423 0.000 2 904 103 103 ASP HB3 H 2.623 0.000 2 905 103 103 ASP C C 175.980 0.000 1 906 103 103 ASP CA C 54.510 0.000 1 907 103 103 ASP CB C 41.390 0.000 1 908 103 103 ASP N N 119.640 0.000 1 909 104 104 VAL H H 8.424 0.000 1 910 104 104 VAL HA H 5.051 0.000 1 911 104 104 VAL HB H 2.083 0.000 1 912 104 104 VAL HG1 H 1.234 0.000 . 913 104 104 VAL HG2 H 1.033 0.000 . 914 104 104 VAL C C 175.900 0.000 1 915 104 104 VAL CA C 62.860 0.000 1 916 104 104 VAL CB C 31.530 0.000 1 917 104 104 VAL N N 121.690 0.000 1 918 105 105 VAL H H 9.002 0.000 1 919 105 105 VAL HA H 4.513 0.000 1 920 105 105 VAL HB H 1.989 0.000 1 921 105 105 VAL HG1 H 0.957 0.000 . 922 105 105 VAL HG2 H 0.957 0.000 . 923 105 105 VAL C C 173.730 0.000 1 924 105 105 VAL CA C 60.420 0.000 1 925 105 105 VAL CB C 36.600 0.000 1 926 105 105 VAL N N 126.230 0.000 1 927 106 106 VAL H H 8.590 0.000 1 928 106 106 VAL HA H 5.028 0.000 1 929 106 106 VAL HB H 1.890 0.000 1 930 106 106 VAL HG1 H 0.475 0.000 . 931 106 106 VAL HG2 H 0.696 0.000 . 932 106 106 VAL C C 174.360 0.000 1 933 106 106 VAL CA C 60.660 0.000 1 934 106 106 VAL CB C 34.420 0.000 1 935 106 106 VAL N N 125.060 0.000 1 936 107 107 ARG H H 8.983 0.000 1 937 107 107 ARG HA H 4.817 0.000 1 938 107 107 ARG HB2 H 1.749 0.000 2 939 107 107 ARG HB3 H 1.903 0.000 2 940 107 107 ARG HG2 H 1.568 0.000 2 941 107 107 ARG HG3 H 1.568 0.000 2 942 107 107 ARG HD2 H 3.167 0.000 2 943 107 107 ARG HD3 H 3.167 0.000 2 944 107 107 ARG HE H 7.677 0.000 1 945 107 107 ARG C C 173.980 0.000 1 946 107 107 ARG CA C 53.860 0.000 1 947 107 107 ARG CB C 34.280 0.000 1 948 107 107 ARG N N 125.740 0.000 1 949 107 107 ARG NE N 85.140 0.000 1 950 108 108 PHE H H 8.780 0.000 1 951 108 108 PHE HA H 5.907 0.000 1 952 108 108 PHE HB2 H 2.944 0.000 2 953 108 108 PHE HB3 H 3.078 0.000 2 954 108 108 PHE HD1 H 7.264 0.000 3 955 108 108 PHE HD2 H 7.264 0.000 3 956 108 108 PHE HE1 H 7.098 0.000 3 957 108 108 PHE HE2 H 7.098 0.000 3 958 108 108 PHE HZ H 6.909 0.000 1 959 108 108 PHE C C 175.900 0.000 1 960 108 108 PHE CA C 56.860 0.000 1 961 108 108 PHE CB C 43.010 0.000 1 962 108 108 PHE N N 118.470 0.000 1 963 109 109 GLU H H 9.332 0.000 1 964 109 109 GLU HA H 4.678 0.000 1 965 109 109 GLU HB2 H 1.923 0.000 2 966 109 109 GLU HB3 H 1.812 0.000 2 967 109 109 GLU HG2 H 2.100 0.000 2 968 109 109 GLU HG3 H 2.219 0.000 2 969 109 109 GLU C C 173.200 0.000 1 970 109 109 GLU CA C 54.610 0.000 1 971 109 109 GLU CB C 34.070 0.000 1 972 109 109 GLU N N 122.230 0.000 1 973 110 110 GLN H H 8.217 0.000 1 974 110 110 GLN HA H 5.255 0.000 1 975 110 110 GLN HB2 H 0.970 0.000 2 976 110 110 GLN HB3 H 1.176 0.000 2 977 110 110 GLN HG2 H 1.650 0.000 2 978 110 110 GLN HG3 H 1.730 0.000 2 979 110 110 GLN HE21 H 6.524 0.000 2 980 110 110 GLN HE22 H 6.818 0.000 2 981 110 110 GLN C C 176.140 0.000 1 982 110 110 GLN CA C 53.620 0.000 1 983 110 110 GLN CB C 31.810 0.000 1 984 110 110 GLN N N 120.320 0.000 1 985 110 110 GLN NE2 N 109.820 0.000 1 986 111 111 SER H H 8.815 0.000 1 987 111 111 SER HA H 4.709 0.000 1 988 111 111 SER HB2 H 3.267 0.000 2 989 111 111 SER HB3 H 3.697 0.000 2 990 111 111 SER C C 175.540 0.000 1 991 111 111 SER CA C 56.470 0.000 1 992 111 111 SER CB C 65.770 0.000 1 993 111 111 SER N N 116.400 0.000 1 994 112 112 SER H H 8.901 0.000 1 995 112 112 SER HA H 4.536 0.000 1 996 112 112 SER HB2 H 3.882 0.000 2 997 112 112 SER HB3 H 4.051 0.000 2 998 112 112 SER C C 174.240 0.000 1 999 112 112 SER CA C 60.150 0.000 1 1000 112 112 SER CB C 63.250 0.000 1 1001 112 112 SER N N 122.470 0.000 1 1002 113 113 ASN H H 8.115 0.000 1 1003 113 113 ASN HA H 4.702 0.000 1 1004 113 113 ASN HB2 H 2.594 0.000 2 1005 113 113 ASN HB3 H 2.816 0.000 2 1006 113 113 ASN HD21 H 6.886 0.000 2 1007 113 113 ASN HD22 H 7.455 0.000 2 1008 113 113 ASN C C 174.950 0.000 1 1009 113 113 ASN CA C 53.860 0.000 1 1010 113 113 ASN CB C 39.540 0.000 1 1011 113 113 ASN N N 117.590 0.000 1 1012 113 113 ASN ND2 N 112.610 0.000 1 1013 114 114 LEU H H 6.873 0.000 1 1014 114 114 LEU HA H 4.442 0.000 1 1015 114 114 LEU HB2 H 1.478 0.000 2 1016 114 114 LEU HB3 H 1.518 0.000 2 1017 114 114 LEU HG H 1.438 0.000 1 1018 114 114 LEU HD1 H 0.649 0.000 . 1019 114 114 LEU HD2 H 0.649 0.000 . 1020 114 114 LEU C C 175.800 0.000 1 1021 114 114 LEU CA C 54.170 0.000 1 1022 114 114 LEU CB C 43.660 0.000 1 1023 114 114 LEU N N 119.010 0.000 1 1024 115 115 HIS H H 8.502 0.000 1 1025 115 115 HIS HA H 5.032 0.000 1 1026 115 115 HIS HB2 H 3.118 0.000 2 1027 115 115 HIS HB3 H 3.397 0.000 2 1028 115 115 HIS C C 173.440 0.000 1 1029 115 115 HIS CA C 53.580 0.000 1 1030 115 115 HIS CB C 30.890 0.000 1 1031 115 115 HIS N N 119.010 0.000 1 1032 116 116 THR H H 8.172 0.000 1 1033 116 116 THR HA H 4.348 0.000 1 1034 116 116 THR HB H 4.050 0.000 1 1035 116 116 THR HG2 H 1.272 0.000 . 1036 116 116 THR C C 175.880 0.000 1 1037 116 116 THR CA C 64.460 0.000 1 1038 116 116 THR CB C 69.470 0.000 1 1039 116 116 THR N N 115.150 0.000 1 1040 117 117 GLY H H 10.180 0.000 1 1041 117 117 GLY HA2 H 3.669 0.000 2 1042 117 117 GLY HA3 H 4.348 0.000 2 1043 117 117 GLY C C 173.460 0.000 1 1044 117 117 GLY CA C 45.350 0.000 1 1045 117 117 GLY N N 117.540 0.000 1 1046 118 118 GLN H H 8.160 0.000 1 1047 118 118 GLN HA H 4.659 0.000 1 1048 118 118 GLN HB2 H 1.919 0.000 2 1049 118 118 GLN HB3 H 2.279 0.000 2 1050 118 118 GLN HG2 H 2.180 0.000 2 1051 118 118 GLN HG3 H 2.180 0.000 2 1052 118 118 GLN HE21 H 6.797 0.000 2 1053 118 118 GLN HE22 H 7.527 0.000 2 1054 118 118 GLN C C 174.340 0.000 1 1055 118 118 GLN CA C 54.960 0.000 1 1056 118 118 GLN CB C 31.970 0.000 1 1057 118 118 GLN N N 118.370 0.000 1 1058 118 118 GLN NE2 N 112.280 0.000 1 1059 119 119 PHE H H 7.868 0.000 1 1060 119 119 PHE HA H 5.633 0.000 1 1061 119 119 PHE HB2 H 2.905 0.000 2 1062 119 119 PHE HB3 H 3.121 0.000 2 1063 119 119 PHE HD1 H 6.890 0.000 3 1064 119 119 PHE HD2 H 6.890 0.000 3 1065 119 119 PHE HE1 H 7.255 0.000 3 1066 119 119 PHE HE2 H 7.255 0.000 3 1067 119 119 PHE C C 174.510 0.000 1 1068 119 119 PHE CA C 55.800 0.000 1 1069 119 119 PHE CB C 43.750 0.000 1 1070 119 119 PHE N N 115.150 0.000 1 1071 120 120 ARG H H 8.594 0.000 1 1072 120 120 ARG HA H 4.664 0.000 1 1073 120 120 ARG HB2 H 1.620 0.000 2 1074 120 120 ARG HB3 H 1.970 0.000 2 1075 120 120 ARG HG2 H 1.516 0.000 2 1076 120 120 ARG HG3 H 1.595 0.000 2 1077 120 120 ARG C C 174.050 0.000 1 1078 120 120 ARG CA C 54.290 0.000 1 1079 120 120 ARG CB C 34.730 0.000 1 1080 120 120 ARG N N 118.520 0.000 1 1081 121 121 ALA H H 8.730 0.000 1 1082 121 121 ALA HA H 5.703 0.000 1 1083 121 121 ALA HB H 1.254 0.000 . 1084 121 121 ALA C C 175.490 0.000 1 1085 121 121 ALA CA C 51.250 0.000 1 1086 121 121 ALA CB C 23.610 0.000 1 1087 121 121 ALA N N 121.830 0.000 1 1088 122 122 ARG H H 8.318 0.000 1 1089 122 122 ARG HA H 4.758 0.000 1 1090 122 122 ARG HB2 H 1.730 0.000 2 1091 122 122 ARG HB3 H 1.766 0.000 2 1092 122 122 ARG HG2 H 1.352 0.000 2 1093 122 122 ARG HG3 H 1.559 0.000 2 1094 122 122 ARG HD2 H 3.093 0.000 2 1095 122 122 ARG HD3 H 3.093 0.000 2 1096 122 122 ARG HE H 7.247 0.000 1 1097 122 122 ARG C C 174.190 0.000 1 1098 122 122 ARG CA C 55.000 0.000 1 1099 122 122 ARG CB C 33.870 0.000 1 1100 122 122 ARG N N 117.540 0.000 1 1101 122 122 ARG NE N 85.180 0.000 1 1102 123 123 GLY H H 8.859 0.000 1 1103 123 123 GLY HA2 H 2.765 0.000 2 1104 123 123 GLY HA3 H 4.898 0.000 2 1105 123 123 GLY C C 172.680 0.000 1 1106 123 123 GLY CA C 44.680 0.000 1 1107 123 123 GLY N N 110.020 0.000 1 1108 124 124 THR H H 8.905 0.000 1 1109 124 124 THR HA H 4.629 0.000 1 1110 124 124 THR HB H 3.973 0.000 1 1111 124 124 THR HG2 H 1.034 0.000 . 1112 124 124 THR C C 173.150 0.000 1 1113 124 124 THR CA C 60.190 0.000 1 1114 124 124 THR CB C 71.880 0.000 1 1115 124 124 THR N N 116.320 0.000 1 1116 125 125 VAL H H 8.527 0.000 1 1117 125 125 VAL HA H 4.138 0.000 1 1118 125 125 VAL HB H 2.069 0.000 1 1119 125 125 VAL HG1 H 1.017 0.000 . 1120 125 125 VAL HG2 H 0.830 0.000 . 1121 125 125 VAL C C 175.300 0.000 1 1122 125 125 VAL CA C 62.960 0.000 1 1123 125 125 VAL CB C 32.070 0.000 1 1124 125 125 VAL N N 125.650 0.000 1 1125 126 126 ASN H H 9.490 0.000 1 1126 126 126 ASN HA H 5.194 0.000 1 1127 126 126 ASN HB2 H 2.641 0.000 2 1128 126 126 ASN HB3 H 2.833 0.000 2 1129 126 126 ASN HD21 H 6.796 0.000 2 1130 126 126 ASN HD22 H 7.900 0.000 2 1131 126 126 ASN CA C 49.980 0.000 1 1132 126 126 ASN N N 124.720 0.000 1 1133 126 126 ASN ND2 N 111.790 0.000 1 1134 127 127 PRO HA H 4.383 0.000 1 1135 127 127 PRO HB2 H 2.066 0.000 2 1136 127 127 PRO HB3 H 1.866 0.000 2 1137 127 127 PRO HG2 H 1.980 0.000 2 1138 127 127 PRO HG3 H 2.000 0.000 2 1139 127 127 PRO HD2 H 3.617 0.000 2 1140 127 127 PRO HD3 H 3.942 0.000 2 1141 127 127 PRO C C 176.320 0.000 1 1142 127 127 PRO CA C 63.640 0.000 1 1143 127 127 PRO CB C 32.690 0.000 1 1144 128 128 ASP H H 7.786 0.000 1 1145 128 128 ASP HA H 4.816 0.000 1 1146 128 128 ASP HB2 H 2.592 0.000 2 1147 128 128 ASP HB3 H 2.882 0.000 2 1148 128 128 ASP C C 175.490 0.000 1 1149 128 128 ASP CA C 53.740 0.000 1 1150 128 128 ASP CB C 40.470 0.000 1 1151 128 128 ASP N N 118.180 0.000 1 1152 129 129 VAL H H 7.209 0.000 1 1153 129 129 VAL HA H 4.018 0.000 1 1154 129 129 VAL HB H 2.080 0.000 1 1155 129 129 VAL HG1 H 0.925 0.000 . 1156 129 129 VAL HG2 H 0.925 0.000 . 1157 129 129 VAL C C 175.360 0.000 1 1158 129 129 VAL CA C 62.520 0.000 1 1159 129 129 VAL CB C 32.770 0.000 1 1160 129 129 VAL N N 117.590 0.000 1 1161 130 130 GLU H H 8.335 0.000 1 1162 130 130 GLU HA H 4.495 0.000 1 1163 130 130 GLU HB2 H 1.955 0.000 2 1164 130 130 GLU HB3 H 2.084 0.000 2 1165 130 130 GLU HG2 H 2.325 0.000 2 1166 130 130 GLU HG3 H 2.378 0.000 2 1167 130 130 GLU C C 176.080 0.000 1 1168 130 130 GLU CA C 55.950 0.000 1 1169 130 130 GLU CB C 30.670 0.000 1 1170 130 130 GLU N N 123.510 0.000 1 1171 131 131 THR H H 8.248 0.000 1 1172 131 131 THR HA H 4.325 0.000 1 1173 131 131 THR HB H 4.201 0.000 1 1174 131 131 THR HG2 H 1.175 0.000 . 1175 131 131 THR C C 173.710 0.000 1 1176 131 131 THR CA C 61.930 0.000 1 1177 131 131 THR CB C 70.170 0.000 1 1178 131 131 THR N N 115.680 0.000 1 1179 132 132 HIS H H 8.058 0.000 1 1180 132 132 HIS HA H 4.522 0.000 1 1181 132 132 HIS HB2 H 3.122 0.000 2 1182 132 132 HIS HB3 H 3.305 0.000 2 1183 132 132 HIS CA C 56.940 0.000 1 1184 132 132 HIS N N 125.210 0.000 1 stop_ save_