data_25760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the 140-315 fragment of the N-acetylglucosamine-1-phosphate transferase, alpha and beta subunits ; _BMRB_accession_number 25760 _BMRB_flat_file_name bmr25760.str _Entry_type original _Submission_date 2015-08-19 _Accession_date 2015-08-19 _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 Serrano Pedro . . 2 Geralt Michael . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 973 "13C chemical shifts" 679 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-12 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25761 PC07372D stop_ _Original_release_date 2015-10-12 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the 140-315 fragment of the N-acetylglucosamine-1-phosphate transferase, alpha and beta subunits ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Wuthrich Kurt . . 3 Geralt Michael . . stop_ _Journal_abbreviation 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GNPTAB _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $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 entity _Molecular_mass 19155.244 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MKVPMLVLDPALPANITLKD LPSLYPSFHSASDIFNVAKP KNPSTNVSVVVFDSTKDVED AHSGLLKGNSRQTVWRGYLT TDKEVPGLVLMQDLAFLSGF PPTFKETNQLKTKLPENLSS KVKLLQLYSEASVALLKLNN PKDFQELNKQTKKNMTIDGK ELTISPAYLLWD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LYS 3 3 VAL 4 4 PRO 5 5 MET 6 6 LEU 7 7 VAL 8 8 LEU 9 9 ASP 10 10 PRO 11 11 ALA 12 12 LEU 13 13 PRO 14 14 ALA 15 15 ASN 16 16 ILE 17 17 THR 18 18 LEU 19 19 LYS 20 20 ASP 21 21 LEU 22 22 PRO 23 23 SER 24 24 LEU 25 25 TYR 26 26 PRO 27 27 SER 28 28 PHE 29 29 HIS 30 30 SER 31 31 ALA 32 32 SER 33 33 ASP 34 34 ILE 35 35 PHE 36 36 ASN 37 37 VAL 38 38 ALA 39 39 LYS 40 40 PRO 41 41 LYS 42 42 ASN 43 43 PRO 44 44 SER 45 45 THR 46 46 ASN 47 47 VAL 48 48 SER 49 49 VAL 50 50 VAL 51 51 VAL 52 52 PHE 53 53 ASP 54 54 SER 55 55 THR 56 56 LYS 57 57 ASP 58 58 VAL 59 59 GLU 60 60 ASP 61 61 ALA 62 62 HIS 63 63 SER 64 64 GLY 65 65 LEU 66 66 LEU 67 67 LYS 68 68 GLY 69 69 ASN 70 70 SER 71 71 ARG 72 72 GLN 73 73 THR 74 74 VAL 75 75 TRP 76 76 ARG 77 77 GLY 78 78 TYR 79 79 LEU 80 80 THR 81 81 THR 82 82 ASP 83 83 LYS 84 84 GLU 85 85 VAL 86 86 PRO 87 87 GLY 88 88 LEU 89 89 VAL 90 90 LEU 91 91 MET 92 92 GLN 93 93 ASP 94 94 LEU 95 95 ALA 96 96 PHE 97 97 LEU 98 98 SER 99 99 GLY 100 100 PHE 101 101 PRO 102 102 PRO 103 103 THR 104 104 PHE 105 105 LYS 106 106 GLU 107 107 THR 108 108 ASN 109 109 GLN 110 110 LEU 111 111 LYS 112 112 THR 113 113 LYS 114 114 LEU 115 115 PRO 116 116 GLU 117 117 ASN 118 118 LEU 119 119 SER 120 120 SER 121 121 LYS 122 122 VAL 123 123 LYS 124 124 LEU 125 125 LEU 126 126 GLN 127 127 LEU 128 128 TYR 129 129 SER 130 130 GLU 131 131 ALA 132 132 SER 133 133 VAL 134 134 ALA 135 135 LEU 136 136 LEU 137 137 LYS 138 138 LEU 139 139 ASN 140 140 ASN 141 141 PRO 142 142 LYS 143 143 ASP 144 144 PHE 145 145 GLN 146 146 GLU 147 147 LEU 148 148 ASN 149 149 LYS 150 150 GLN 151 151 THR 152 152 LYS 153 153 LYS 154 154 ASN 155 155 MET 156 156 THR 157 157 ILE 158 158 ASP 159 159 GLY 160 160 LYS 161 161 GLU 162 162 LEU 163 163 THR 164 164 ILE 165 165 SER 166 166 PRO 167 167 ALA 168 168 TYR 169 169 LEU 170 170 LEU 171 171 TRP 172 172 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2N6D "Nmr Structure Of The 140-315 Fragment Of The N-acetylglucosamine-1- Phosphate Transferase, Alpha And Beta Subunits" 100.00 172 100.00 100.00 2.20e-118 DBJ BAB71102 "unnamed protein product [Homo sapiens]" 100.00 847 99.42 100.00 1.43e-110 EMBL CAJ30014 "alpha-beta GlcNAc-1-phosphotransferase [Homo sapiens]" 100.00 1256 99.42 100.00 5.96e-108 GB AAH71687 "GNPTAB protein [Homo sapiens]" 100.00 490 99.42 100.00 4.57e-114 GB AAI31788 "N-acetylglucosamine-1-phosphate transferase, alpha and beta subunits [Homo sapiens]" 100.00 1256 99.42 100.00 5.96e-108 GB AAV98624 "GlcNAc-phosphotransferase precursor [Homo sapiens]" 100.00 1256 99.42 100.00 5.96e-108 GB EAW97682 "N-acetylglucosamine-1-phosphate transferase, alpha and beta subunits, isoform CRA_a [Homo sapiens]" 100.00 1039 99.42 100.00 3.37e-109 GB EHH21112 "hypothetical protein EGK_04108 [Macaca mulatta]" 100.00 1256 97.67 100.00 1.31e-106 REF NP_077288 "N-acetylglucosamine-1-phosphotransferase subunits alpha/beta precursor [Homo sapiens]" 100.00 1256 99.42 100.00 5.96e-108 REF XP_001092998 "PREDICTED: n-acetylglucosamine-1-phosphotransferase subunits alpha/beta isoform 3 [Macaca mulatta]" 100.00 1256 97.67 100.00 9.12e-107 REF XP_001155334 "PREDICTED: N-acetylglucosamine-1-phosphotransferase subunits alpha/beta isoform X1 [Pan troglodytes]" 100.00 1284 99.42 100.00 7.75e-108 REF XP_002823695 "PREDICTED: LOW QUALITY PROTEIN: N-acetylglucosamine-1-phosphotransferase subunits alpha/beta [Pongo abelii]" 100.00 1200 99.42 100.00 3.29e-108 REF XP_003832629 "PREDICTED: LOW QUALITY PROTEIN: N-acetylglucosamine-1-phosphotransferase subunits alpha/beta [Pan paniscus]" 100.00 1256 99.42 100.00 5.44e-108 SP Q3T906 "RecName: Full=N-acetylglucosamine-1-phosphotransferase subunits alpha/beta; AltName: Full=GlcNAc-1-phosphotransferase subunits " 100.00 1256 99.42 100.00 5.96e-108 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '[U-98% 13C; U-98% 15N], 1.2 mM;20 mM phosphate buffer; 50 mM NaCl; 5 mM Sodium Azide; pH 6.0; 90% H2O; 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 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' 0.240 . M pH 6.0 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '2D 1H-15N HSQC' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 5 5 MET H H 8.283 0.000 . 2 5 5 MET HA H 5.358 0.000 . 3 5 5 MET HB3 H 1.858 0.000 . 4 5 5 MET HG2 H 2.141 0.000 . 5 5 5 MET HG3 H 2.141 0.000 . 6 5 5 MET HE H 1.401 0.000 . 7 5 5 MET C C 171.746 0.000 . 8 5 5 MET CA C 51.440 0.000 . 9 5 5 MET CB C 33.375 0.000 . 10 5 5 MET CG C 33.313 0.000 . 11 5 5 MET CE C 14.683 0.000 . 12 5 5 MET N N 115.671 0.000 . 13 6 6 LEU H H 8.686 0.000 . 14 6 6 LEU HA H 5.142 0.000 . 15 6 6 LEU HB2 H 1.143 0.000 . 16 6 6 LEU HB3 H 1.379 0.000 . 17 6 6 LEU HG H 1.478 0.000 . 18 6 6 LEU HD1 H 0.424 0.000 . 19 6 6 LEU HD2 H 0.640 0.000 . 20 6 6 LEU C C 172.261 0.000 . 21 6 6 LEU CA C 50.824 0.000 . 22 6 6 LEU CB C 43.167 0.000 . 23 6 6 LEU CG C 23.937 0.000 . 24 6 6 LEU CD1 C 24.129 0.000 . 25 6 6 LEU CD2 C 22.050 0.000 . 26 6 6 LEU N N 117.137 0.000 . 27 7 7 VAL H H 9.037 0.000 . 28 7 7 VAL HA H 4.865 0.000 . 29 7 7 VAL HB H 1.745 0.000 . 30 7 7 VAL HG1 H 0.713 0.000 . 31 7 7 VAL HG2 H 0.578 0.000 . 32 7 7 VAL C C 172.221 0.000 . 33 7 7 VAL CA C 58.057 0.000 . 34 7 7 VAL CB C 31.724 0.000 . 35 7 7 VAL CG1 C 19.510 0.000 . 36 7 7 VAL CG2 C 18.784 0.000 . 37 7 7 VAL N N 120.735 0.000 . 38 8 8 LEU H H 9.268 0.000 . 39 8 8 LEU HA H 5.023 0.000 . 40 8 8 LEU HB2 H 1.508 0.000 . 41 8 8 LEU HG H 1.552 0.000 . 42 8 8 LEU HD1 H 0.678 0.000 . 43 8 8 LEU HD2 H 0.729 0.000 . 44 8 8 LEU C C 171.788 0.000 . 45 8 8 LEU CA C 51.347 0.000 . 46 8 8 LEU CB C 41.164 0.000 . 47 8 8 LEU CG C 25.914 0.000 . 48 8 8 LEU CD1 C 22.519 0.000 . 49 8 8 LEU CD2 C 22.785 0.000 . 50 8 8 LEU N N 127.265 0.000 . 51 9 9 ASP H H 7.994 0.000 . 52 9 9 ASP HA H 4.909 0.000 . 53 9 9 ASP HB2 H 2.864 0.000 . 54 9 9 ASP HB3 H 2.306 0.000 . 55 9 9 ASP CA C 47.124 0.000 . 56 9 9 ASP CB C 42.409 0.000 . 57 9 9 ASP N N 121.012 0.000 . 58 10 10 PRO HA H 5.291 0.000 . 59 10 10 PRO HB2 H 2.519 0.000 . 60 10 10 PRO HB3 H 2.251 0.000 . 61 10 10 PRO HG2 H 1.980 0.000 . 62 10 10 PRO HG3 H 1.867 0.000 . 63 10 10 PRO HD2 H 3.636 0.000 . 64 10 10 PRO HD3 H 3.636 0.000 . 65 10 10 PRO C C 172.808 0.000 . 66 10 10 PRO CA C 60.590 0.000 . 67 10 10 PRO CB C 32.641 0.000 . 68 10 10 PRO CG C 22.850 0.000 . 69 10 10 PRO CD C 47.747 0.000 . 70 11 11 ALA H H 7.596 0.000 . 71 11 11 ALA HA H 4.142 0.000 . 72 11 11 ALA HB H 1.073 0.000 . 73 11 11 ALA C C 176.261 0.000 . 74 11 11 ALA CA C 49.568 0.000 . 75 11 11 ALA CB C 17.008 0.000 . 76 11 11 ALA N N 117.635 0.000 . 77 12 12 LEU H H 8.534 0.000 . 78 12 12 LEU HA H 4.373 0.000 . 79 12 12 LEU HB2 H 1.350 0.000 . 80 12 12 LEU HB3 H 1.621 0.000 . 81 12 12 LEU HG H 1.675 0.000 . 82 12 12 LEU HD1 H 0.984 0.000 . 83 12 12 LEU HD2 H 0.822 0.000 . 84 12 12 LEU CA C 50.650 0.000 . 85 12 12 LEU CB C 38.144 0.000 . 86 12 12 LEU CG C 25.175 0.000 . 87 12 12 LEU CD1 C 20.825 0.000 . 88 12 12 LEU CD2 C 23.532 0.000 . 89 12 12 LEU N N 120.438 0.000 . 90 13 13 PRO HA H 4.324 0.000 . 91 13 13 PRO HB2 H 2.374 0.000 . 92 13 13 PRO HB3 H 2.374 0.000 . 93 13 13 PRO HG2 H 2.082 0.000 . 94 13 13 PRO HG3 H 2.082 0.000 . 95 13 13 PRO HD2 H 3.859 0.000 . 96 13 13 PRO HD3 H 3.362 0.000 . 97 13 13 PRO CA C 60.434 0.000 . 98 13 13 PRO CB C 29.851 0.000 . 99 13 13 PRO CG C 25.378 0.000 . 100 13 13 PRO CD C 47.617 0.000 . 101 14 14 ALA H H 8.455 0.000 . 102 14 14 ALA HA H 4.020 0.000 . 103 14 14 ALA HB H 1.393 0.000 . 104 14 14 ALA C C 174.793 0.000 . 105 14 14 ALA CA C 51.423 0.000 . 106 14 14 ALA CB C 16.195 0.000 . 107 14 14 ALA N N 123.184 0.000 . 108 15 15 ASN H H 8.012 0.000 . 109 15 15 ASN HA H 4.521 0.000 . 110 15 15 ASN HB2 H 2.973 0.000 . 111 15 15 ASN HB3 H 2.682 0.000 . 112 15 15 ASN HD21 H 7.548 0.000 . 113 15 15 ASN HD22 H 6.708 0.000 . 114 15 15 ASN C C 172.375 0.000 . 115 15 15 ASN CA C 50.473 0.000 . 116 15 15 ASN CB C 34.851 0.000 . 117 15 15 ASN N N 111.259 0.000 . 118 15 15 ASN ND2 N 112.466 0.000 . 119 16 16 ILE H H 7.367 0.000 . 120 16 16 ILE HA H 4.212 0.000 . 121 16 16 ILE HB H 2.029 0.000 . 122 16 16 ILE HG12 H 1.368 0.000 . 123 16 16 ILE HG13 H 1.462 0.000 . 124 16 16 ILE HG2 H 0.828 0.000 . 125 16 16 ILE HD1 H 0.782 0.000 . 126 16 16 ILE CA C 57.399 0.000 . 127 16 16 ILE CB C 34.110 0.000 . 128 16 16 ILE CG1 C 25.356 0.000 . 129 16 16 ILE CG2 C 15.240 0.000 . 130 16 16 ILE CD1 C 9.072 0.000 . 131 16 16 ILE N N 121.194 0.000 . 132 17 17 THR H H 8.577 0.000 . 133 17 17 THR HA H 4.710 0.000 . 134 17 17 THR HB H 4.532 0.000 . 135 17 17 THR HG2 H 1.251 0.000 . 136 17 17 THR C C 173.078 0.000 . 137 17 17 THR CA C 57.222 0.000 . 138 17 17 THR CB C 69.717 0.000 . 139 17 17 THR CG2 C 19.017 0.000 . 140 17 17 THR N N 117.674 0.000 . 141 18 18 LEU H H 8.778 0.000 . 142 18 18 LEU HA H 3.908 0.000 . 143 18 18 LEU HB2 H 1.630 0.000 . 144 18 18 LEU HB3 H 1.756 0.000 . 145 18 18 LEU HG H 1.619 0.000 . 146 18 18 LEU HD1 H 0.751 0.000 . 147 18 18 LEU HD2 H 0.702 0.000 . 148 18 18 LEU C C 176.674 0.000 . 149 18 18 LEU CA C 55.664 0.000 . 150 18 18 LEU CB C 39.586 0.000 . 151 18 18 LEU CG C 24.109 0.000 . 152 18 18 LEU CD1 C 22.319 0.000 . 153 18 18 LEU CD2 C 21.245 0.000 . 154 18 18 LEU N N 121.057 0.000 . 155 19 19 LYS H H 7.850 0.000 . 156 19 19 LYS HA H 4.024 0.000 . 157 19 19 LYS HB2 H 1.734 0.000 . 158 19 19 LYS HB3 H 1.785 0.000 . 159 19 19 LYS HG2 H 1.423 0.000 . 160 19 19 LYS HD2 H 1.646 0.000 . 161 19 19 LYS HD3 H 1.646 0.000 . 162 19 19 LYS HE2 H 2.994 0.000 . 163 19 19 LYS HE3 H 2.994 0.000 . 164 19 19 LYS CA C 55.761 0.000 . 165 19 19 LYS CB C 29.572 0.000 . 166 19 19 LYS CG C 21.957 0.000 . 167 19 19 LYS CD C 26.473 0.000 . 168 19 19 LYS CE C 39.671 0.000 . 169 19 19 LYS N N 115.813 0.000 . 170 20 20 ASP H H 7.498 0.000 . 171 20 20 ASP HA H 4.666 0.000 . 172 20 20 ASP HB2 H 2.789 0.000 . 173 20 20 ASP HB3 H 2.789 0.000 . 174 20 20 ASP C C 174.838 0.000 . 175 20 20 ASP CA C 52.567 0.000 . 176 20 20 ASP CB C 40.229 0.000 . 177 20 20 ASP N N 116.001 0.000 . 178 21 21 LEU H H 7.695 0.000 . 179 21 21 LEU HA H 4.147 0.000 . 180 21 21 LEU HB2 H 1.694 0.000 . 181 21 21 LEU HB3 H 2.043 0.000 . 182 21 21 LEU HG H 1.844 0.000 . 183 21 21 LEU HD1 H 1.012 0.000 . 184 21 21 LEU HD2 H 0.938 0.000 . 185 21 21 LEU CA C 57.000 0.000 . 186 21 21 LEU CB C 38.071 0.000 . 187 21 21 LEU CG C 24.449 0.000 . 188 21 21 LEU CD1 C 22.290 0.000 . 189 21 21 LEU CD2 C 23.280 0.000 . 190 21 21 LEU N N 121.133 0.000 . 191 23 23 SER H H 7.532 0.000 . 192 23 23 SER HA H 4.214 0.000 . 193 23 23 SER HB2 H 3.933 0.000 . 194 23 23 SER HB3 H 3.933 0.000 . 195 23 23 SER CA C 57.932 0.000 . 196 23 23 SER CB C 60.396 0.000 . 197 23 23 SER N N 110.815 0.000 . 198 24 24 LEU H H 7.348 0.000 . 199 24 24 LEU HA H 4.126 0.000 . 200 24 24 LEU HB2 H 1.593 0.000 . 201 24 24 LEU HB3 H 1.162 0.000 . 202 24 24 LEU HG H 1.404 0.000 . 203 24 24 LEU HD1 H 0.821 0.000 . 204 24 24 LEU HD2 H 0.722 0.000 . 205 24 24 LEU CA C 53.663 0.000 . 206 24 24 LEU CB C 41.869 0.000 . 207 24 24 LEU CG C 24.553 0.000 . 208 24 24 LEU CD1 C 22.603 0.000 . 209 24 24 LEU CD2 C 21.111 0.000 . 210 24 24 LEU N N 121.943 0.000 . 211 25 25 TYR H H 7.966 0.000 . 212 25 25 TYR HA H 4.591 0.000 . 213 25 25 TYR HB2 H 1.999 0.000 . 214 25 25 TYR HB3 H 1.777 0.000 . 215 25 25 TYR HD1 H 6.610 0.000 . 216 25 25 TYR HD2 H 6.610 0.000 . 217 25 25 TYR HE1 H 6.558 0.000 . 218 25 25 TYR HE2 H 6.558 0.000 . 219 25 25 TYR CA C 52.362 0.000 . 220 25 25 TYR CB C 37.213 0.000 . 221 25 25 TYR CD1 C 130.479 0.000 . 222 25 25 TYR CD2 C 130.479 0.000 . 223 25 25 TYR CE1 C 114.444 0.000 . 224 25 25 TYR CE2 C 114.531 0.000 . 225 25 25 TYR N N 116.328 0.000 . 226 26 26 PRO HA H 4.590 0.000 . 227 26 26 PRO HB2 H 1.995 0.000 . 228 26 26 PRO HB3 H 2.437 0.000 . 229 26 26 PRO HG2 H 2.025 0.000 . 230 26 26 PRO HG3 H 2.063 0.000 . 231 26 26 PRO HD2 H 3.645 0.000 . 232 26 26 PRO HD3 H 3.284 0.000 . 233 26 26 PRO C C 176.422 0.000 . 234 26 26 PRO CA C 62.659 0.000 . 235 26 26 PRO CB C 29.398 0.000 . 236 26 26 PRO CG C 24.722 0.000 . 237 26 26 PRO CD C 47.566 0.000 . 238 27 27 SER H H 8.830 0.000 . 239 27 27 SER HA H 4.613 0.000 . 240 27 27 SER HB2 H 4.463 0.000 . 241 27 27 SER HB3 H 3.868 0.000 . 242 27 27 SER CA C 57.586 0.000 . 243 27 27 SER CB C 60.346 0.000 . 244 27 27 SER N N 111.342 0.000 . 245 28 28 PHE H H 8.753 0.000 . 246 28 28 PHE HA H 4.992 0.000 . 247 28 28 PHE HB2 H 3.612 0.000 . 248 28 28 PHE HB3 H 3.485 0.000 . 249 28 28 PHE HD1 H 7.120 0.000 . 250 28 28 PHE HD2 H 7.120 0.000 . 251 28 28 PHE HE1 H 6.825 0.000 . 252 28 28 PHE HE2 H 6.825 0.000 . 253 28 28 PHE HZ H 6.703 0.000 . 254 28 28 PHE CA C 52.579 0.000 . 255 28 28 PHE CB C 32.661 0.000 . 256 28 28 PHE CD1 C 127.079 0.000 . 257 28 28 PHE CD2 C 127.079 0.000 . 258 28 28 PHE CE1 C 128.186 0.000 . 259 28 28 PHE CE2 C 128.186 0.000 . 260 28 28 PHE CZ C 126.089 0.000 . 261 28 28 PHE N N 122.984 0.000 . 262 29 29 HIS H H 7.451 0.000 . 263 29 29 HIS HA H 4.298 0.000 . 264 29 29 HIS HB2 H 3.449 0.000 . 265 29 29 HIS HB3 H 3.413 0.000 . 266 29 29 HIS HD2 H 7.566 0.000 . 267 29 29 HIS HE1 H 8.351 0.000 . 268 29 29 HIS C C 172.282 0.000 . 269 29 29 HIS CA C 55.941 0.000 . 270 29 29 HIS CB C 26.656 0.000 . 271 29 29 HIS CD2 C 118.155 0.000 . 272 29 29 HIS CE1 C 135.336 0.000 . 273 29 29 HIS N N 116.556 0.000 . 274 29 29 HIS ND1 N 200.902 0.000 . 275 30 30 SER H H 8.696 0.000 . 276 30 30 SER HA H 4.611 0.000 . 277 30 30 SER HB2 H 3.919 0.000 . 278 30 30 SER C C 171.589 0.000 . 279 30 30 SER CA C 55.239 0.000 . 280 30 30 SER CB C 60.267 0.000 . 281 30 30 SER N N 115.482 0.000 . 282 31 31 ALA H H 7.605 0.000 . 283 31 31 ALA HA H 3.312 0.000 . 284 31 31 ALA HB H 0.759 0.000 . 285 31 31 ALA CA C 50.502 0.000 . 286 31 31 ALA CB C 16.312 0.000 . 287 31 31 ALA N N 125.327 0.000 . 288 32 32 SER H H 8.949 0.000 . 289 32 32 SER HA H 4.487 0.000 . 290 32 32 SER HB2 H 3.697 0.000 . 291 32 32 SER HB3 H 3.697 0.000 . 292 32 32 SER C C 171.869 0.000 . 293 32 32 SER CA C 55.612 0.000 . 294 32 32 SER CB C 62.147 0.000 . 295 32 32 SER N N 115.142 0.000 . 296 33 33 ASP H H 7.385 0.000 . 297 33 33 ASP HA H 4.680 0.000 . 298 33 33 ASP HB2 H 2.194 0.000 . 299 33 33 ASP HB3 H 2.604 0.000 . 300 33 33 ASP C C 170.979 0.000 . 301 33 33 ASP CA C 51.502 0.000 . 302 33 33 ASP CB C 41.889 0.000 . 303 33 33 ASP N N 116.955 0.000 . 304 34 34 ILE H H 8.690 0.000 . 305 34 34 ILE HA H 5.268 0.000 . 306 34 34 ILE HB H 1.637 0.000 . 307 34 34 ILE HG12 H 1.408 0.000 . 308 34 34 ILE HG13 H 0.944 0.000 . 309 34 34 ILE HG2 H 0.780 0.000 . 310 34 34 ILE HD1 H 0.720 0.000 . 311 34 34 ILE C C 170.527 0.000 . 312 34 34 ILE CA C 56.469 0.000 . 313 34 34 ILE CB C 38.344 0.000 . 314 34 34 ILE CG1 C 25.044 0.000 . 315 34 34 ILE CG2 C 13.057 0.000 . 316 34 34 ILE CD1 C 12.142 0.000 . 317 34 34 ILE N N 116.837 0.000 . 318 35 35 PHE H H 8.404 0.000 . 319 35 35 PHE HA H 4.841 0.000 . 320 35 35 PHE HB2 H 3.319 0.000 . 321 35 35 PHE HB3 H 2.777 0.000 . 322 35 35 PHE HD1 H 6.845 0.000 . 323 35 35 PHE HD2 H 6.845 0.000 . 324 35 35 PHE HE1 H 6.890 0.000 . 325 35 35 PHE HE2 H 6.890 0.000 . 326 35 35 PHE HZ H 6.759 0.000 . 327 35 35 PHE CA C 52.947 0.000 . 328 35 35 PHE CB C 37.924 0.000 . 329 35 35 PHE CD1 C 129.803 0.000 . 330 35 35 PHE CD2 C 129.803 0.000 . 331 35 35 PHE CE1 C 127.466 0.000 . 332 35 35 PHE CE2 C 127.466 0.000 . 333 35 35 PHE CZ C 126.009 0.000 . 334 35 35 PHE N N 121.424 0.000 . 335 36 36 ASN H H 8.672 0.000 . 336 36 36 ASN HA H 5.837 0.000 . 337 36 36 ASN HB2 H 2.773 0.000 . 338 36 36 ASN HB3 H 2.495 0.000 . 339 36 36 ASN HD21 H 6.908 0.000 . 340 36 36 ASN HD22 H 7.507 0.000 . 341 36 36 ASN CA C 49.167 0.000 . 342 36 36 ASN CB C 37.068 0.000 . 343 36 36 ASN N N 119.667 0.000 . 344 36 36 ASN ND2 N 110.604 0.000 . 345 37 37 VAL H H 8.621 0.000 . 346 37 37 VAL HA H 4.596 0.000 . 347 37 37 VAL HB H 2.498 0.000 . 348 37 37 VAL HG1 H 0.916 0.000 . 349 37 37 VAL HG2 H 0.651 0.000 . 350 37 37 VAL C C 171.184 0.000 . 351 37 37 VAL CA C 56.363 0.000 . 352 37 37 VAL CB C 33.592 0.000 . 353 37 37 VAL CG1 C 20.317 0.000 . 354 37 37 VAL CG2 C 16.879 0.000 . 355 37 37 VAL N N 115.079 0.000 . 356 38 38 ALA H H 9.006 0.000 . 357 38 38 ALA HA H 4.633 0.000 . 358 38 38 ALA HB H 1.382 0.000 . 359 38 38 ALA CA C 49.472 0.000 . 360 38 38 ALA CB C 16.330 0.000 . 361 38 38 ALA N N 125.075 0.000 . 362 39 39 LYS H H 8.643 0.000 . 363 39 39 LYS HA H 4.102 0.000 . 364 39 39 LYS HB2 H 2.187 0.000 . 365 39 39 LYS HB3 H 1.384 0.000 . 366 39 39 LYS HG2 H 1.186 0.000 . 367 39 39 LYS HG3 H 1.261 0.000 . 368 39 39 LYS HD2 H 1.563 0.000 . 369 39 39 LYS HE2 H 2.844 0.000 . 370 39 39 LYS HE3 H 2.764 0.000 . 371 39 39 LYS CA C 52.225 0.000 . 372 39 39 LYS CB C 30.399 0.000 . 373 39 39 LYS CG C 22.937 0.000 . 374 39 39 LYS CD C 27.515 0.000 . 375 39 39 LYS CE C 39.807 0.000 . 376 39 39 LYS N N 123.664 0.000 . 377 40 40 PRO HA H 4.177 0.000 . 378 40 40 PRO HB2 H 1.901 0.000 . 379 40 40 PRO HB3 H 2.250 0.000 . 380 40 40 PRO HG3 H 1.843 0.000 . 381 40 40 PRO HD2 H 3.513 0.000 . 382 40 40 PRO HD3 H 4.015 0.000 . 383 40 40 PRO C C 175.007 0.000 . 384 40 40 PRO CA C 62.383 0.000 . 385 40 40 PRO CB C 29.300 0.000 . 386 40 40 PRO CG C 25.525 0.000 . 387 40 40 PRO CD C 47.641 0.000 . 388 41 41 LYS H H 8.419 0.000 . 389 41 41 LYS HA H 4.057 0.000 . 390 41 41 LYS HB2 H 1.962 0.000 . 391 41 41 LYS HB3 H 1.962 0.000 . 392 41 41 LYS HG2 H 1.395 0.000 . 393 41 41 LYS HG3 H 1.395 0.000 . 394 41 41 LYS HE2 H 2.956 0.000 . 395 41 41 LYS HE3 H 2.956 0.000 . 396 41 41 LYS CA C 55.027 0.000 . 397 41 41 LYS CB C 28.854 0.000 . 398 41 41 LYS CG C 23.068 0.000 . 399 41 41 LYS CE C 39.625 0.000 . 400 41 41 LYS N N 114.666 0.000 . 401 42 42 ASN H H 7.729 0.000 . 402 42 42 ASN HA H 4.989 0.000 . 403 42 42 ASN HB2 H 2.551 0.000 . 404 42 42 ASN HB3 H 2.692 0.000 . 405 42 42 ASN HD21 H 7.483 0.000 . 406 42 42 ASN HD22 H 6.930 0.000 . 407 42 42 ASN CA C 49.233 0.000 . 408 42 42 ASN CB C 36.682 0.000 . 409 42 42 ASN N N 115.006 0.000 . 410 42 42 ASN ND2 N 112.515 0.000 . 411 43 43 PRO HA H 4.666 0.000 . 412 43 43 PRO HB2 H 2.075 0.000 . 413 43 43 PRO HB3 H 2.268 0.000 . 414 43 43 PRO HG2 H 1.945 0.000 . 415 43 43 PRO HG3 H 1.991 0.000 . 416 43 43 PRO HD2 H 3.760 0.000 . 417 43 43 PRO HD3 H 3.482 0.000 . 418 43 43 PRO C C 174.156 0.000 . 419 43 43 PRO CA C 62.235 0.000 . 420 43 43 PRO CB C 29.268 0.000 . 421 43 43 PRO CG C 24.486 0.000 . 422 43 43 PRO CD C 47.630 0.000 . 423 44 44 SER H H 7.792 0.000 . 424 44 44 SER HA H 4.394 0.000 . 425 44 44 SER HB2 H 3.924 0.000 . 426 44 44 SER HB3 H 3.924 0.000 . 427 44 44 SER CA C 57.157 0.000 . 428 44 44 SER CB C 60.850 0.000 . 429 44 44 SER N N 114.353 0.000 . 430 45 45 THR H H 8.221 0.000 . 431 45 45 THR HA H 4.670 0.000 . 432 45 45 THR HB H 4.204 0.000 . 433 45 45 THR HG2 H 1.205 0.000 . 434 45 45 THR C C 169.565 0.000 . 435 45 45 THR CA C 57.454 0.000 . 436 45 45 THR CB C 68.685 0.000 . 437 45 45 THR CG2 C 19.078 0.000 . 438 45 45 THR N N 115.368 0.000 . 439 46 46 ASN H H 8.367 0.000 . 440 46 46 ASN HA H 5.710 0.000 . 441 46 46 ASN HB2 H 2.529 0.000 . 442 46 46 ASN HB3 H 2.529 0.000 . 443 46 46 ASN HD21 H 6.810 0.000 . 444 46 46 ASN HD22 H 7.249 0.000 . 445 46 46 ASN C C 172.576 0.000 . 446 46 46 ASN CA C 49.495 0.000 . 447 46 46 ASN CB C 39.429 0.000 . 448 46 46 ASN N N 117.971 0.000 . 449 46 46 ASN ND2 N 112.403 0.000 . 450 47 47 VAL H H 9.272 0.000 . 451 47 47 VAL HA H 4.795 0.000 . 452 47 47 VAL HB H 2.242 0.000 . 453 47 47 VAL HG1 H 0.835 0.000 . 454 47 47 VAL HG2 H 0.489 0.000 . 455 47 47 VAL C C 172.889 0.000 . 456 47 47 VAL CA C 57.475 0.000 . 457 47 47 VAL CB C 31.807 0.000 . 458 47 47 VAL CG1 C 19.952 0.000 . 459 47 47 VAL CG2 C 15.492 0.000 . 460 47 47 VAL N N 112.298 0.000 . 461 48 48 SER H H 8.654 0.000 . 462 48 48 SER HA H 5.449 0.000 . 463 48 48 SER HB2 H 3.600 0.000 . 464 48 48 SER HB3 H 3.680 0.000 . 465 48 48 SER CA C 55.515 0.000 . 466 48 48 SER CB C 62.916 0.000 . 467 48 48 SER N N 115.257 0.000 . 468 49 49 VAL H H 9.252 0.000 . 469 49 49 VAL HA H 4.428 0.000 . 470 49 49 VAL HB H 1.130 0.000 . 471 49 49 VAL HG1 H 0.585 0.000 . 472 49 49 VAL HG2 H 0.539 0.000 . 473 49 49 VAL C C 170.803 0.000 . 474 49 49 VAL CA C 58.323 0.000 . 475 49 49 VAL CB C 29.861 0.000 . 476 49 49 VAL CG1 C 19.044 0.000 . 477 49 49 VAL CG2 C 19.486 0.000 . 478 49 49 VAL N N 125.395 0.000 . 479 50 50 VAL H H 9.011 0.000 . 480 50 50 VAL HA H 4.361 0.000 . 481 50 50 VAL HB H 1.707 0.000 . 482 50 50 VAL HG1 H 0.288 0.000 . 483 50 50 VAL HG2 H 0.638 0.000 . 484 50 50 VAL C C 172.270 0.000 . 485 50 50 VAL CA C 58.197 0.000 . 486 50 50 VAL CB C 30.261 0.000 . 487 50 50 VAL CG1 C 21.111 0.000 . 488 50 50 VAL CG2 C 18.044 0.000 . 489 50 50 VAL N N 126.413 0.000 . 490 51 51 VAL H H 7.801 0.000 . 491 51 51 VAL HA H 4.357 0.000 . 492 51 51 VAL HB H 1.790 0.000 . 493 51 51 VAL HG1 H 0.966 0.000 . 494 51 51 VAL HG2 H 0.780 0.000 . 495 51 51 VAL CA C 58.109 0.000 . 496 51 51 VAL CB C 31.150 0.000 . 497 51 51 VAL CG1 C 20.195 0.000 . 498 51 51 VAL CG2 C 19.294 0.000 . 499 51 51 VAL N N 123.363 0.000 . 500 52 52 PHE H H 8.161 0.000 . 501 52 52 PHE HA H 4.704 0.000 . 502 52 52 PHE HB2 H 3.317 0.000 . 503 52 52 PHE HB3 H 2.473 0.000 . 504 52 52 PHE HD1 H 7.067 0.000 . 505 52 52 PHE HD2 H 7.067 0.000 . 506 52 52 PHE HE1 H 6.837 0.000 . 507 52 52 PHE HE2 H 6.837 0.000 . 508 52 52 PHE HZ H 6.117 0.000 . 509 52 52 PHE CA C 58.898 0.000 . 510 52 52 PHE CB C 41.250 0.000 . 511 52 52 PHE CD1 C 129.468 0.000 . 512 52 52 PHE CD2 C 129.468 0.000 . 513 52 52 PHE CE1 C 128.122 0.000 . 514 52 52 PHE CE2 C 128.122 0.000 . 515 52 52 PHE CZ C 125.721 0.000 . 516 52 52 PHE N N 121.151 0.000 . 517 53 53 ASP H H 9.893 0.000 . 518 53 53 ASP HA H 4.746 0.000 . 519 53 53 ASP HB2 H 2.857 0.000 . 520 53 53 ASP HB3 H 2.828 0.000 . 521 53 53 ASP C C 173.974 0.000 . 522 53 53 ASP CA C 53.111 0.000 . 523 53 53 ASP CB C 39.429 0.000 . 524 53 53 ASP N N 118.329 0.000 . 525 54 54 SER H H 7.555 0.000 . 526 54 54 SER HA H 4.955 0.000 . 527 54 54 SER HB2 H 4.240 0.000 . 528 54 54 SER HB3 H 4.021 0.000 . 529 54 54 SER CA C 54.130 0.000 . 530 54 54 SER CB C 64.123 0.000 . 531 54 54 SER N N 109.050 0.000 . 532 55 55 THR H H 8.995 0.000 . 533 55 55 THR HA H 3.915 0.000 . 534 55 55 THR HB H 4.178 0.000 . 535 55 55 THR HG2 H 1.324 0.000 . 536 55 55 THR C C 173.501 0.000 . 537 55 55 THR CA C 63.359 0.000 . 538 55 55 THR CB C 65.638 0.000 . 539 55 55 THR CG2 C 20.079 0.000 . 540 55 55 THR N N 118.117 0.000 . 541 56 56 LYS H H 8.161 0.000 . 542 56 56 LYS HA H 4.043 0.000 . 543 56 56 LYS HB2 H 1.751 0.000 . 544 56 56 LYS HB3 H 1.866 0.000 . 545 56 56 LYS HG2 H 1.439 0.000 . 546 56 56 LYS HD2 H 1.422 0.000 . 547 56 56 LYS C C 175.347 0.000 . 548 56 56 LYS CA C 56.367 0.000 . 549 56 56 LYS CB C 29.485 0.000 . 550 56 56 LYS CG C 22.111 0.000 . 551 56 56 LYS CD C 30.160 0.000 . 552 56 56 LYS N N 123.226 0.000 . 553 57 57 ASP H H 7.593 0.000 . 554 57 57 ASP HA H 4.365 0.000 . 555 57 57 ASP HB2 H 2.882 0.000 . 556 57 57 ASP HB3 H 2.815 0.000 . 557 57 57 ASP CA C 54.503 0.000 . 558 57 57 ASP CB C 38.058 0.000 . 559 57 57 ASP N N 117.820 0.000 . 560 58 58 VAL H H 7.281 0.000 . 561 58 58 VAL HA H 2.424 0.000 . 562 58 58 VAL HB H 1.864 0.000 . 563 58 58 VAL HG1 H 0.707 0.000 . 564 58 58 VAL HG2 H 0.790 0.000 . 565 58 58 VAL CA C 62.988 0.000 . 566 58 58 VAL CB C 28.487 0.000 . 567 58 58 VAL CG1 C 21.210 0.000 . 568 58 58 VAL CG2 C 18.736 0.000 . 569 58 58 VAL N N 120.383 0.000 . 570 59 59 GLU H H 7.922 0.000 . 571 59 59 GLU HA H 3.914 0.000 . 572 59 59 GLU HB2 H 2.140 0.000 . 573 59 59 GLU HB3 H 2.077 0.000 . 574 59 59 GLU HG2 H 2.257 0.000 . 575 59 59 GLU HG3 H 2.360 0.000 . 576 59 59 GLU CA C 56.938 0.000 . 577 59 59 GLU CB C 26.582 0.000 . 578 59 59 GLU CG C 33.603 0.000 . 579 59 59 GLU N N 121.261 0.000 . 580 60 60 ASP H H 8.255 0.000 . 581 60 60 ASP HA H 4.369 0.000 . 582 60 60 ASP HB2 H 2.713 0.000 . 583 60 60 ASP HB3 H 2.713 0.000 . 584 60 60 ASP CA C 54.626 0.000 . 585 60 60 ASP CB C 37.835 0.000 . 586 60 60 ASP N N 120.765 0.000 . 587 61 61 ALA H H 7.935 0.000 . 588 61 61 ALA HA H 4.175 0.000 . 589 61 61 ALA HB H 1.090 0.000 . 590 61 61 ALA C C 177.885 0.000 . 591 61 61 ALA CA C 52.569 0.000 . 592 61 61 ALA CB C 17.796 0.000 . 593 61 61 ALA N N 123.491 0.000 . 594 62 62 HIS H H 8.624 0.000 . 595 62 62 HIS HA H 4.079 0.000 . 596 62 62 HIS HB2 H 3.227 0.000 . 597 62 62 HIS HB3 H 3.030 0.000 . 598 62 62 HIS HD2 H 7.511 0.000 . 599 62 62 HIS HE1 H 7.788 0.000 . 600 62 62 HIS CA C 56.731 0.000 . 601 62 62 HIS CB C 29.333 0.000 . 602 62 62 HIS CD2 C 118.103 0.000 . 603 62 62 HIS CE1 C 136.026 0.000 . 604 62 62 HIS N N 118.694 0.000 . 605 62 62 HIS ND1 N 202.460 0.000 . 606 63 63 SER H H 8.560 0.000 . 607 63 63 SER HA H 4.126 0.000 . 608 63 63 SER HB2 H 4.018 0.000 . 609 63 63 SER HB3 H 4.051 0.000 . 610 63 63 SER C C 173.876 0.000 . 611 63 63 SER CA C 58.749 0.000 . 612 63 63 SER CB C 60.292 0.000 . 613 63 63 SER N N 114.190 0.000 . 614 64 64 GLY H H 7.738 0.000 . 615 64 64 GLY HA2 H 3.734 0.000 . 616 64 64 GLY HA3 H 4.136 0.000 . 617 64 64 GLY CA C 43.351 0.000 . 618 64 64 GLY N N 106.617 0.000 . 619 65 65 LEU H H 7.369 0.000 . 620 65 65 LEU HA H 4.186 0.000 . 621 65 65 LEU HB2 H 1.704 0.000 . 622 65 65 LEU HG H 1.791 0.000 . 623 65 65 LEU HD1 H 0.851 0.000 . 624 65 65 LEU HD2 H 0.830 0.000 . 625 65 65 LEU CA C 53.439 0.000 . 626 65 65 LEU CB C 39.948 0.000 . 627 65 65 LEU CG C 24.245 0.000 . 628 65 65 LEU CD1 C 23.306 0.000 . 629 65 65 LEU CD2 C 22.343 0.000 . 630 65 65 LEU N N 122.000 0.000 . 631 66 66 LEU H H 8.018 0.000 . 632 66 66 LEU HA H 4.247 0.000 . 633 66 66 LEU HB2 H 1.694 0.000 . 634 66 66 LEU HB3 H 1.556 0.000 . 635 66 66 LEU HG H 1.661 0.000 . 636 66 66 LEU HD1 H 0.816 0.000 . 637 66 66 LEU HD2 H 0.836 0.000 . 638 66 66 LEU CA C 53.191 0.000 . 639 66 66 LEU CB C 39.403 0.000 . 640 66 66 LEU CG C 24.600 0.000 . 641 66 66 LEU CD1 C 22.245 0.000 . 642 66 66 LEU CD2 C 20.625 0.000 . 643 66 66 LEU N N 122.177 0.000 . 644 67 67 LYS H H 8.029 0.000 . 645 67 67 LYS HA H 4.260 0.000 . 646 67 67 LYS HB2 H 1.799 0.000 . 647 67 67 LYS HB3 H 1.799 0.000 . 648 67 67 LYS HG2 H 1.503 0.000 . 649 67 67 LYS HG3 H 1.503 0.000 . 650 67 67 LYS HD2 H 1.663 0.000 . 651 67 67 LYS HD3 H 1.663 0.000 . 652 67 67 LYS HE2 H 2.948 0.000 . 653 67 67 LYS HE3 H 2.948 0.000 . 654 67 67 LYS CA C 54.161 0.000 . 655 67 67 LYS CB C 30.273 0.000 . 656 67 67 LYS CG C 22.423 0.000 . 657 67 67 LYS CD C 24.128 0.000 . 658 67 67 LYS CE C 39.735 0.000 . 659 67 67 LYS N N 120.859 0.000 . 660 68 68 GLY H H 8.079 0.000 . 661 68 68 GLY HA2 H 3.929 0.000 . 662 68 68 GLY HA3 H 4.062 0.000 . 663 68 68 GLY C C 171.281 0.000 . 664 68 68 GLY CA C 43.012 0.000 . 665 68 68 GLY N N 108.599 0.000 . 666 69 69 ASN H H 8.276 0.000 . 667 69 69 ASN HA H 4.769 0.000 . 668 69 69 ASN HB2 H 2.769 0.000 . 669 69 69 ASN HB3 H 2.912 0.000 . 670 69 69 ASN HD21 H 6.874 0.000 . 671 69 69 ASN HD22 H 7.560 0.000 . 672 69 69 ASN C C 172.672 0.000 . 673 69 69 ASN CA C 50.211 0.000 . 674 69 69 ASN CB C 36.333 0.000 . 675 69 69 ASN N N 118.693 0.000 . 676 69 69 ASN ND2 N 112.102 0.000 . 677 70 70 SER H H 8.280 0.000 . 678 70 70 SER HA H 4.431 0.000 . 679 70 70 SER HB2 H 3.890 0.000 . 680 70 70 SER HB3 H 3.980 0.000 . 681 70 70 SER C C 172.217 0.000 . 682 70 70 SER CA C 56.233 0.000 . 683 70 70 SER CB C 61.116 0.000 . 684 70 70 SER N N 116.155 0.000 . 685 71 71 ARG H H 8.374 0.000 . 686 71 71 ARG HA H 4.314 0.000 . 687 71 71 ARG HB2 H 1.769 0.000 . 688 71 71 ARG HB3 H 1.931 0.000 . 689 71 71 ARG HG2 H 1.646 0.000 . 690 71 71 ARG HG3 H 1.596 0.000 . 691 71 71 ARG HD2 H 3.186 0.000 . 692 71 71 ARG HD3 H 3.186 0.000 . 693 71 71 ARG CA C 53.637 0.000 . 694 71 71 ARG CB C 27.639 0.000 . 695 71 71 ARG CG C 24.725 0.000 . 696 71 71 ARG CD C 40.758 0.000 . 697 71 71 ARG N N 121.725 0.000 . 698 72 72 GLN H H 7.830 0.000 . 699 72 72 GLN HA H 4.484 0.000 . 700 72 72 GLN HB2 H 1.953 0.000 . 701 72 72 GLN HB3 H 1.953 0.000 . 702 72 72 GLN HG2 H 2.107 0.000 . 703 72 72 GLN HG3 H 2.107 0.000 . 704 72 72 GLN HE21 H 6.615 0.000 . 705 72 72 GLN HE22 H 7.524 0.000 . 706 72 72 GLN C C 172.511 0.000 . 707 72 72 GLN CA C 52.943 0.000 . 708 72 72 GLN CB C 28.004 0.000 . 709 72 72 GLN CG C 31.629 0.000 . 710 72 72 GLN N N 120.077 0.000 . 711 72 72 GLN NE2 N 112.700 0.000 . 712 73 73 THR H H 8.737 0.000 . 713 73 73 THR HA H 4.397 0.000 . 714 73 73 THR HB H 4.147 0.000 . 715 73 73 THR HG2 H 0.895 0.000 . 716 73 73 THR C C 170.462 0.000 . 717 73 73 THR CA C 59.792 0.000 . 718 73 73 THR CB C 67.064 0.000 . 719 73 73 THR CG2 C 19.341 0.000 . 720 73 73 THR N N 120.260 0.000 . 721 74 74 VAL H H 7.921 0.000 . 722 74 74 VAL HA H 5.110 0.000 . 723 74 74 VAL HB H 1.880 0.000 . 724 74 74 VAL HG1 H 0.848 0.000 . 725 74 74 VAL HG2 H 0.826 0.000 . 726 74 74 VAL C C 171.930 0.000 . 727 74 74 VAL CA C 57.518 0.000 . 728 74 74 VAL CB C 31.688 0.000 . 729 74 74 VAL CG1 C 18.991 0.000 . 730 74 74 VAL CG2 C 19.544 0.000 . 731 74 74 VAL N N 123.902 0.000 . 732 75 75 TRP H H 9.143 0.000 . 733 75 75 TRP HA H 4.999 0.000 . 734 75 75 TRP HB2 H 2.951 0.000 . 735 75 75 TRP HB3 H 3.222 0.000 . 736 75 75 TRP HD1 H 6.996 0.000 . 737 75 75 TRP HE1 H 10.055 0.000 . 738 75 75 TRP HE3 H 7.304 0.000 . 739 75 75 TRP HZ2 H 7.300 0.000 . 740 75 75 TRP HZ3 H 6.900 0.000 . 741 75 75 TRP HH2 H 7.067 0.000 . 742 75 75 TRP C C 172.241 0.000 . 743 75 75 TRP CA C 52.870 0.000 . 744 75 75 TRP CB C 30.682 0.000 . 745 75 75 TRP CD1 C 123.982 0.000 . 746 75 75 TRP CE3 C 118.356 0.000 . 747 75 75 TRP CZ2 C 111.610 0.000 . 748 75 75 TRP CZ3 C 118.599 0.000 . 749 75 75 TRP CH2 C 121.335 0.000 . 750 75 75 TRP N N 127.148 0.000 . 751 75 75 TRP NE1 N 129.191 0.000 . 752 76 76 ARG H H 8.860 0.000 . 753 76 76 ARG HA H 4.750 0.000 . 754 76 76 ARG HB2 H 1.817 0.000 . 755 76 76 ARG HB3 H 1.581 0.000 . 756 76 76 ARG HG2 H 1.313 0.000 . 757 76 76 ARG HG3 H 1.442 0.000 . 758 76 76 ARG HD2 H 2.874 0.000 . 759 76 76 ARG HD3 H 2.816 0.000 . 760 76 76 ARG HE H 8.715 0.000 . 761 76 76 ARG HH21 H 8.427 0.000 . 762 76 76 ARG HH22 H 8.279 0.000 . 763 76 76 ARG CA C 53.132 0.000 . 764 76 76 ARG CB C 29.524 0.000 . 765 76 76 ARG CG C 24.557 0.000 . 766 76 76 ARG CD C 40.978 0.000 . 767 76 76 ARG N N 121.619 0.000 . 768 76 76 ARG NE N 87.287 0.000 . 769 76 76 ARG NH2 N 70.072 0.000 . 770 77 77 GLY H H 8.122 0.000 . 771 77 77 GLY HA2 H 4.451 0.000 . 772 77 77 GLY HA3 H 4.010 0.000 . 773 77 77 GLY C C 168.772 0.000 . 774 77 77 GLY CA C 43.608 0.000 . 775 77 77 GLY N N 110.567 0.000 . 776 78 78 TYR H H 8.867 0.000 . 777 78 78 TYR HA H 5.562 0.000 . 778 78 78 TYR HB2 H 2.822 0.000 . 779 78 78 TYR HB3 H 2.558 0.000 . 780 78 78 TYR HD1 H 6.798 0.000 . 781 78 78 TYR HD2 H 6.798 0.000 . 782 78 78 TYR HE1 H 6.775 0.000 . 783 78 78 TYR HE2 H 6.775 0.000 . 784 78 78 TYR CA C 53.865 0.000 . 785 78 78 TYR CB C 39.626 0.000 . 786 78 78 TYR CD1 C 130.896 0.000 . 787 78 78 TYR CD2 C 130.896 0.000 . 788 78 78 TYR CE1 C 115.321 0.000 . 789 78 78 TYR CE2 C 115.299 0.000 . 790 78 78 TYR N N 116.722 0.000 . 791 79 79 LEU H H 8.853 0.000 . 792 79 79 LEU HA H 5.577 0.000 . 793 79 79 LEU HB2 H 1.496 0.000 . 794 79 79 LEU HB3 H 1.834 0.000 . 795 79 79 LEU HG H 0.802 0.000 . 796 79 79 LEU HD1 H 0.744 0.000 . 797 79 79 LEU HD2 H 1.618 0.000 . 798 79 79 LEU C C 174.574 0.000 . 799 79 79 LEU CA C 50.530 0.000 . 800 79 79 LEU CB C 42.181 0.000 . 801 79 79 LEU CG C 23.743 0.000 . 802 79 79 LEU CD1 C 22.377 0.000 . 803 79 79 LEU CD2 C 17.232 0.000 . 804 79 79 LEU N N 120.628 0.000 . 805 80 80 THR H H 9.725 0.000 . 806 80 80 THR HA H 5.573 0.000 . 807 80 80 THR HB H 4.018 0.000 . 808 80 80 THR HG2 H 1.185 0.000 . 809 80 80 THR C C 169.369 0.000 . 810 80 80 THR CA C 56.194 0.000 . 811 80 80 THR CB C 68.561 0.000 . 812 80 80 THR CG2 C 17.673 0.000 . 813 80 80 THR N N 116.583 0.000 . 814 81 81 THR H H 7.320 0.000 . 815 81 81 THR HA H 4.479 0.000 . 816 81 81 THR HB H 4.280 0.000 . 817 81 81 THR HG2 H 0.362 0.000 . 818 81 81 THR C C 173.143 0.000 . 819 81 81 THR CA C 58.641 0.000 . 820 81 81 THR CB C 67.617 0.000 . 821 81 81 THR CG2 C 18.834 0.000 . 822 81 81 THR N N 113.045 0.000 . 823 82 82 ASP H H 8.314 0.000 . 824 82 82 ASP HA H 4.443 0.000 . 825 82 82 ASP HB2 H 2.424 0.000 . 826 82 82 ASP HB3 H 2.590 0.000 . 827 82 82 ASP CA C 51.987 0.000 . 828 82 82 ASP CB C 39.157 0.000 . 829 82 82 ASP N N 125.143 0.000 . 830 83 83 LYS H H 7.810 0.000 . 831 83 83 LYS HA H 3.693 0.000 . 832 83 83 LYS HB2 H 1.551 0.000 . 833 83 83 LYS HB3 H 1.423 0.000 . 834 83 83 LYS HG2 H 1.071 0.000 . 835 83 83 LYS HG3 H 1.206 0.000 . 836 83 83 LYS HD3 H 1.605 0.000 . 837 83 83 LYS HE2 H 2.952 0.000 . 838 83 83 LYS HE3 H 2.952 0.000 . 839 83 83 LYS C C 174.124 0.000 . 840 83 83 LYS CA C 52.998 0.000 . 841 83 83 LYS CB C 30.318 0.000 . 842 83 83 LYS CG C 21.747 0.000 . 843 83 83 LYS CD C 26.869 0.000 . 844 83 83 LYS CE C 39.756 0.000 . 845 83 83 LYS N N 119.224 0.000 . 846 84 84 GLU H H 8.167 0.000 . 847 84 84 GLU HA H 4.130 0.000 . 848 84 84 GLU HB2 H 1.862 0.000 . 849 84 84 GLU HB3 H 2.042 0.000 . 850 84 84 GLU HG2 H 2.144 0.000 . 851 84 84 GLU HG3 H 2.102 0.000 . 852 84 84 GLU C C 173.418 0.000 . 853 84 84 GLU CA C 54.334 0.000 . 854 84 84 GLU CB C 27.270 0.000 . 855 84 84 GLU CG C 33.906 0.000 . 856 84 84 GLU N N 119.676 0.000 . 857 85 85 VAL H H 6.917 0.000 . 858 85 85 VAL HA H 4.362 0.000 . 859 85 85 VAL HB H 1.960 0.000 . 860 85 85 VAL HG1 H 0.808 0.000 . 861 85 85 VAL CA C 56.822 0.000 . 862 85 85 VAL CB C 30.761 0.000 . 863 85 85 VAL CG1 C 17.861 0.000 . 864 85 85 VAL N N 118.088 0.000 . 865 87 87 GLY H H 8.391 0.000 . 866 87 87 GLY HA2 H 3.687 0.000 . 867 87 87 GLY HA3 H 4.017 0.000 . 868 87 87 GLY C C 172.179 0.000 . 869 87 87 GLY CA C 43.267 0.000 . 870 87 87 GLY N N 107.536 0.000 . 871 88 88 LEU H H 7.177 0.000 . 872 88 88 LEU HA H 4.438 0.000 . 873 88 88 LEU HB2 H 1.581 0.000 . 874 88 88 LEU HB3 H 1.290 0.000 . 875 88 88 LEU HG H 1.649 0.000 . 876 88 88 LEU HD1 H 0.604 0.000 . 877 88 88 LEU HD2 H 0.518 0.000 . 878 88 88 LEU CA C 52.462 0.000 . 879 88 88 LEU CB C 40.821 0.000 . 880 88 88 LEU CG C 23.414 0.000 . 881 88 88 LEU CD1 C 21.431 0.000 . 882 88 88 LEU CD2 C 24.009 0.000 . 883 88 88 LEU N N 118.801 0.000 . 884 89 89 VAL H H 8.753 0.000 . 885 89 89 VAL HA H 4.329 0.000 . 886 89 89 VAL HB H 2.035 0.000 . 887 89 89 VAL HG1 H 0.924 0.000 . 888 89 89 VAL HG2 H 0.993 0.000 . 889 89 89 VAL CA C 58.514 0.000 . 890 89 89 VAL CB C 31.884 0.000 . 891 89 89 VAL CG1 C 18.847 0.000 . 892 89 89 VAL CG2 C 18.676 0.000 . 893 89 89 VAL N N 121.225 0.000 . 894 90 90 LEU H H 8.620 0.000 . 895 90 90 LEU HA H 4.055 0.000 . 896 90 90 LEU HB2 H 1.699 0.000 . 897 90 90 LEU HB3 H 1.515 0.000 . 898 90 90 LEU HG H 1.111 0.000 . 899 90 90 LEU HD1 H 0.569 0.000 . 900 90 90 LEU HD2 H 0.569 0.000 . 901 90 90 LEU C C 171.746 0.000 . 902 90 90 LEU CA C 53.465 0.000 . 903 90 90 LEU CB C 40.119 0.000 . 904 90 90 LEU CG C 24.842 0.000 . 905 90 90 LEU CD1 C 21.176 0.000 . 906 90 90 LEU CD2 C 22.559 0.000 . 907 90 90 LEU N N 129.266 0.000 . 908 91 91 MET H H 8.290 0.000 . 909 91 91 MET HA H 4.816 0.000 . 910 91 91 MET HB2 H 1.870 0.000 . 911 91 91 MET HB3 H 1.811 0.000 . 912 91 91 MET HG2 H 2.320 0.000 . 913 91 91 MET HG3 H 2.320 0.000 . 914 91 91 MET HE H 1.850 0.000 . 915 91 91 MET CA C 50.407 0.000 . 916 91 91 MET CB C 28.765 0.000 . 917 91 91 MET CG C 29.827 0.000 . 918 91 91 MET CE C 14.914 0.000 . 919 91 91 MET N N 126.101 0.000 . 920 92 92 GLN H H 8.730 0.000 . 921 92 92 GLN HA H 3.929 0.000 . 922 92 92 GLN HB2 H 2.070 0.000 . 923 92 92 GLN HB3 H 1.987 0.000 . 924 92 92 GLN HG2 H 2.270 0.000 . 925 92 92 GLN HG3 H 2.270 0.000 . 926 92 92 GLN HE21 H 6.790 0.000 . 927 92 92 GLN HE22 H 7.490 0.000 . 928 92 92 GLN C C 172.421 0.000 . 929 92 92 GLN CA C 55.740 0.000 . 930 92 92 GLN CB C 26.456 0.000 . 931 92 92 GLN CG C 31.699 0.000 . 932 92 92 GLN N N 122.413 0.000 . 933 92 92 GLN NE2 N 111.568 0.000 . 934 93 93 ASP H H 8.557 0.000 . 935 93 93 ASP HA H 4.479 0.000 . 936 93 93 ASP HB2 H 2.548 0.000 . 937 93 93 ASP HB3 H 2.798 0.000 . 938 93 93 ASP CA C 51.111 0.000 . 939 93 93 ASP CB C 38.499 0.000 . 940 93 93 ASP N N 112.856 0.000 . 941 94 94 LEU H H 7.141 0.000 . 942 94 94 LEU HA H 5.355 0.000 . 943 94 94 LEU HB2 H 1.318 0.000 . 944 94 94 LEU HB3 H 1.025 0.000 . 945 94 94 LEU HG H 1.400 0.000 . 946 94 94 LEU HD1 H 0.639 0.000 . 947 94 94 LEU HD2 H 0.563 0.000 . 948 94 94 LEU CA C 49.765 0.000 . 949 94 94 LEU CB C 44.663 0.000 . 950 94 94 LEU CG C 23.926 0.000 . 951 94 94 LEU CD1 C 24.009 0.000 . 952 94 94 LEU CD2 C 20.675 0.000 . 953 94 94 LEU N N 117.181 0.000 . 954 95 95 ALA H H 8.338 0.000 . 955 95 95 ALA HA H 4.536 0.000 . 956 95 95 ALA HB H 1.260 0.000 . 957 95 95 ALA C C 171.930 0.000 . 958 95 95 ALA CA C 48.787 0.000 . 959 95 95 ALA CB C 20.585 0.000 . 960 95 95 ALA N N 117.634 0.000 . 961 96 96 PHE H H 9.148 0.000 . 962 96 96 PHE HA H 5.582 0.000 . 963 96 96 PHE HB2 H 2.627 0.000 . 964 96 96 PHE HB3 H 2.833 0.000 . 965 96 96 PHE HD1 H 7.151 0.000 . 966 96 96 PHE HD2 H 7.151 0.000 . 967 96 96 PHE HE1 H 7.041 0.000 . 968 96 96 PHE HE2 H 7.041 0.000 . 969 96 96 PHE HZ H 6.807 0.000 . 970 96 96 PHE C C 172.303 0.000 . 971 96 96 PHE CA C 54.620 0.000 . 972 96 96 PHE CB C 39.480 0.000 . 973 96 96 PHE CD1 C 129.874 0.000 . 974 96 96 PHE CD2 C 129.874 0.000 . 975 96 96 PHE CE1 C 127.765 0.000 . 976 96 96 PHE CE2 C 127.765 0.000 . 977 96 96 PHE CZ C 125.789 0.000 . 978 96 96 PHE N N 117.026 0.000 . 979 97 97 LEU H H 9.727 0.000 . 980 97 97 LEU HA H 5.507 0.000 . 981 97 97 LEU HB2 H 1.952 0.000 . 982 97 97 LEU HB3 H 1.396 0.000 . 983 97 97 LEU HG H 1.759 0.000 . 984 97 97 LEU HD1 H 0.757 0.000 . 985 97 97 LEU C C 172.103 0.000 . 986 97 97 LEU CA C 50.340 0.000 . 987 97 97 LEU CB C 44.055 0.000 . 988 97 97 LEU CG C 24.895 0.000 . 989 97 97 LEU CD1 C 24.087 0.000 . 990 97 97 LEU N N 125.544 0.000 . 991 98 98 SER H H 9.377 0.000 . 992 98 98 SER HA H 5.017 0.000 . 993 98 98 SER HB2 H 3.987 0.000 . 994 98 98 SER HB3 H 3.837 0.000 . 995 98 98 SER CA C 54.697 0.000 . 996 98 98 SER CB C 63.504 0.000 . 997 98 98 SER N N 119.966 0.000 . 998 99 99 GLY H H 8.611 0.000 . 999 99 99 GLY HA2 H 4.775 0.000 . 1000 99 99 GLY HA3 H 3.579 0.000 . 1001 99 99 GLY CA C 42.725 0.000 . 1002 99 99 GLY N N 106.873 0.000 . 1003 100 100 PHE H H 6.247 0.000 . 1004 100 100 PHE HA H 4.573 0.000 . 1005 100 100 PHE HB2 H 3.091 0.000 . 1006 100 100 PHE HB3 H 2.531 0.000 . 1007 100 100 PHE HD1 H 7.067 0.000 . 1008 100 100 PHE HD2 H 7.067 0.000 . 1009 100 100 PHE HE1 H 7.318 0.000 . 1010 100 100 PHE HE2 H 7.318 0.000 . 1011 100 100 PHE HZ H 7.021 0.000 . 1012 100 100 PHE CA C 49.925 0.000 . 1013 100 100 PHE CB C 34.871 0.000 . 1014 100 100 PHE CD1 C 129.628 0.000 . 1015 100 100 PHE CD2 C 129.628 0.000 . 1016 100 100 PHE CE2 C 129.058 0.000 . 1017 100 100 PHE CZ C 126.416 0.000 . 1018 100 100 PHE N N 113.203 0.000 . 1019 101 101 PRO HA H 4.668 0.000 . 1020 101 101 PRO HB3 H 2.258 0.000 . 1021 101 101 PRO HG2 H 2.298 0.000 . 1022 101 101 PRO HG3 H 2.150 0.000 . 1023 101 101 PRO HD2 H 3.551 0.000 . 1024 101 101 PRO HD3 H 3.778 0.000 . 1025 101 101 PRO CA C 60.482 0.000 . 1026 101 101 PRO CB C 29.545 0.000 . 1027 101 101 PRO CG C 25.661 0.000 . 1028 101 101 PRO CD C 47.727 0.000 . 1029 102 102 PRO HA H 4.800 0.000 . 1030 102 102 PRO HB2 H 2.187 0.000 . 1031 102 102 PRO HB3 H 2.187 0.000 . 1032 102 102 PRO HG2 H 1.885 0.000 . 1033 102 102 PRO HG3 H 2.007 0.000 . 1034 102 102 PRO HD2 H 3.799 0.000 . 1035 102 102 PRO HD3 H 3.799 0.000 . 1036 102 102 PRO C C 173.889 0.000 . 1037 102 102 PRO CA C 61.121 0.000 . 1038 102 102 PRO CB C 28.396 0.000 . 1039 102 102 PRO CG C 24.970 0.000 . 1040 102 102 PRO CD C 48.360 0.000 . 1041 103 103 THR H H 7.083 0.000 . 1042 103 103 THR HA H 4.032 0.000 . 1043 103 103 THR HB H 4.156 0.000 . 1044 103 103 THR HG2 H 1.081 0.000 . 1045 103 103 THR CA C 59.347 0.000 . 1046 103 103 THR CB C 65.694 0.000 . 1047 103 103 THR CG2 C 19.886 0.000 . 1048 103 103 THR N N 107.723 0.000 . 1049 104 104 PHE H H 7.658 0.000 . 1050 104 104 PHE HA H 4.450 0.000 . 1051 104 104 PHE HB2 H 2.533 0.000 . 1052 104 104 PHE HB3 H 3.196 0.000 . 1053 104 104 PHE HD1 H 7.227 0.000 . 1054 104 104 PHE HD2 H 7.227 0.000 . 1055 104 104 PHE HE2 H 7.181 0.000 . 1056 104 104 PHE HZ H 7.202 0.000 . 1057 104 104 PHE CA C 55.302 0.000 . 1058 104 104 PHE CB C 36.013 0.000 . 1059 104 104 PHE CD2 C 128.535 0.000 . 1060 104 104 PHE CE1 C 128.535 0.000 . 1061 104 104 PHE CZ C 126.978 0.000 . 1062 104 104 PHE N N 120.962 0.000 . 1063 105 105 LYS H H 8.578 0.000 . 1064 105 105 LYS HA H 4.469 0.000 . 1065 105 105 LYS HB2 H 1.802 0.000 . 1066 105 105 LYS HB3 H 2.012 0.000 . 1067 105 105 LYS HG2 H 1.446 0.000 . 1068 105 105 LYS HG3 H 1.489 0.000 . 1069 105 105 LYS C C 172.995 0.000 . 1070 105 105 LYS CA C 53.096 0.000 . 1071 105 105 LYS CB C 32.327 0.000 . 1072 105 105 LYS CG C 22.227 0.000 . 1073 105 105 LYS CD C 30.244 0.000 . 1074 105 105 LYS N N 121.498 0.000 . 1075 106 106 GLU H H 7.630 0.000 . 1076 106 106 GLU HA H 4.870 0.000 . 1077 106 106 GLU HB2 H 2.273 0.000 . 1078 106 106 GLU HB3 H 1.890 0.000 . 1079 106 106 GLU HG2 H 2.233 0.000 . 1080 106 106 GLU HG3 H 2.293 0.000 . 1081 106 106 GLU CA C 51.743 0.000 . 1082 106 106 GLU CB C 30.364 0.000 . 1083 106 106 GLU CG C 33.301 0.000 . 1084 106 106 GLU N N 116.935 0.000 . 1085 107 107 THR H H 8.999 0.000 . 1086 107 107 THR HA H 4.079 0.000 . 1087 107 107 THR HB H 3.421 0.000 . 1088 107 107 THR HG2 H 1.006 0.000 . 1089 107 107 THR CA C 65.559 0.000 . 1090 107 107 THR CB C 64.256 0.000 . 1091 107 107 THR CG2 C 20.502 0.000 . 1092 107 107 THR N N 119.621 0.000 . 1093 108 108 ASN H H 8.955 0.000 . 1094 108 108 ASN HA H 4.325 0.000 . 1095 108 108 ASN HB2 H 2.748 0.000 . 1096 108 108 ASN HB3 H 2.865 0.000 . 1097 108 108 ASN HD21 H 6.940 0.000 . 1098 108 108 ASN HD22 H 7.660 0.000 . 1099 108 108 ASN C C 174.526 0.000 . 1100 108 108 ASN CA C 53.805 0.000 . 1101 108 108 ASN CB C 35.373 0.000 . 1102 108 108 ASN N N 118.158 0.000 . 1103 108 108 ASN ND2 N 113.208 0.000 . 1104 109 109 GLN H H 7.373 0.000 . 1105 109 109 GLN HA H 4.061 0.000 . 1106 109 109 GLN HB2 H 2.253 0.000 . 1107 109 109 GLN HB3 H 2.129 0.000 . 1108 109 109 GLN HG2 H 2.450 0.000 . 1109 109 109 GLN HG3 H 2.311 0.000 . 1110 109 109 GLN HE21 H 7.460 0.000 . 1111 109 109 GLN HE22 H 6.795 0.000 . 1112 109 109 GLN C C 175.146 0.000 . 1113 109 109 GLN CA C 55.349 0.000 . 1114 109 109 GLN CB C 26.637 0.000 . 1115 109 109 GLN CG C 31.251 0.000 . 1116 109 109 GLN N N 117.945 0.000 . 1117 109 109 GLN NE2 N 111.929 0.000 . 1118 110 110 LEU H H 6.911 0.000 . 1119 110 110 LEU HA H 3.638 0.000 . 1120 110 110 LEU HB2 H 1.438 0.000 . 1121 110 110 LEU HB3 H 0.701 0.000 . 1122 110 110 LEU HG H 0.884 0.000 . 1123 110 110 LEU HD1 H -0.109 0.000 . 1124 110 110 LEU HD2 H -0.186 0.000 . 1125 110 110 LEU C C 174.946 0.000 . 1126 110 110 LEU CA C 54.047 0.000 . 1127 110 110 LEU CB C 39.059 0.000 . 1128 110 110 LEU CG C 23.953 0.000 . 1129 110 110 LEU CD1 C 23.608 0.000 . 1130 110 110 LEU CD2 C 19.413 0.000 . 1131 110 110 LEU N N 117.444 0.000 . 1132 111 111 LYS H H 8.114 0.000 . 1133 111 111 LYS HA H 3.486 0.000 . 1134 111 111 LYS HB2 H 1.861 0.000 . 1135 111 111 LYS HB3 H 1.810 0.000 . 1136 111 111 LYS HG3 H 0.591 0.000 . 1137 111 111 LYS CA C 57.653 0.000 . 1138 111 111 LYS CB C 30.445 0.000 . 1139 111 111 LYS CG C 23.078 0.000 . 1140 111 111 LYS N N 117.394 0.000 . 1141 112 112 THR H H 7.261 0.000 . 1142 112 112 THR HA H 4.087 0.000 . 1143 112 112 THR HB H 4.300 0.000 . 1144 112 112 THR HG2 H 1.302 0.000 . 1145 112 112 THR C C 172.243 0.000 . 1146 112 112 THR CA C 61.479 0.000 . 1147 112 112 THR CB C 66.694 0.000 . 1148 112 112 THR CG2 C 19.348 0.000 . 1149 112 112 THR N N 107.342 0.000 . 1150 113 113 LYS H H 7.190 0.000 . 1151 113 113 LYS HA H 4.470 0.000 . 1152 113 113 LYS HB2 H 2.036 0.000 . 1153 113 113 LYS HB3 H 1.621 0.000 . 1154 113 113 LYS HG2 H 1.576 0.000 . 1155 113 113 LYS HG3 H 1.519 0.000 . 1156 113 113 LYS HE2 H 3.048 0.000 . 1157 113 113 LYS HE3 H 3.048 0.000 . 1158 113 113 LYS C C 173.361 0.000 . 1159 113 113 LYS CA C 51.574 0.000 . 1160 113 113 LYS CB C 30.634 0.000 . 1161 113 113 LYS CG C 22.314 0.000 . 1162 113 113 LYS CE C 39.875 0.000 . 1163 113 113 LYS N N 118.725 0.000 . 1164 114 114 LEU H H 7.116 0.000 . 1165 114 114 LEU HA H 4.140 0.000 . 1166 114 114 LEU HB2 H 1.754 0.000 . 1167 114 114 LEU HB3 H 1.085 0.000 . 1168 114 114 LEU HG H 1.931 0.000 . 1169 114 114 LEU HD1 H 0.493 0.000 . 1170 114 114 LEU HD2 H 0.604 0.000 . 1171 114 114 LEU CA C 50.674 0.000 . 1172 114 114 LEU CB C 39.043 0.000 . 1173 114 114 LEU CG C 23.043 0.000 . 1174 114 114 LEU CD1 C 20.190 0.000 . 1175 114 114 LEU CD2 C 21.604 0.000 . 1176 114 114 LEU N N 119.469 0.000 . 1177 115 115 PRO HA H 4.572 0.000 . 1178 115 115 PRO HB2 H 2.637 0.000 . 1179 115 115 PRO HB3 H 2.151 0.000 . 1180 115 115 PRO HG2 H 2.219 0.000 . 1181 115 115 PRO HG3 H 2.012 0.000 . 1182 115 115 PRO HD2 H 3.326 0.000 . 1183 115 115 PRO HD3 H 3.787 0.000 . 1184 115 115 PRO C C 175.325 0.000 . 1185 115 115 PRO CA C 60.048 0.000 . 1186 115 115 PRO CB C 29.583 0.000 . 1187 115 115 PRO CG C 25.552 0.000 . 1188 115 115 PRO CD C 47.448 0.000 . 1189 116 116 GLU H H 9.130 0.000 . 1190 116 116 GLU HA H 4.115 0.000 . 1191 116 116 GLU HB2 H 2.088 0.000 . 1192 116 116 GLU HB3 H 2.014 0.000 . 1193 116 116 GLU HG2 H 2.311 0.000 . 1194 116 116 GLU CA C 56.958 0.000 . 1195 116 116 GLU CB C 26.981 0.000 . 1196 116 116 GLU CG C 33.598 0.000 . 1197 116 116 GLU N N 125.753 0.000 . 1198 117 117 ASN H H 8.767 0.000 . 1199 117 117 ASN HA H 4.375 0.000 . 1200 117 117 ASN HB2 H 2.753 0.000 . 1201 117 117 ASN HB3 H 2.753 0.000 . 1202 117 117 ASN HD21 H 6.745 0.000 . 1203 117 117 ASN HD22 H 7.480 0.000 . 1204 117 117 ASN C C 172.675 0.000 . 1205 117 117 ASN CA C 52.663 0.000 . 1206 117 117 ASN CB C 34.637 0.000 . 1207 117 117 ASN N N 115.318 0.000 . 1208 117 117 ASN ND2 N 111.360 0.000 . 1209 118 118 LEU H H 7.445 0.000 . 1210 118 118 LEU HA H 4.347 0.000 . 1211 118 118 LEU HB2 H 1.542 0.000 . 1212 118 118 LEU HB3 H 1.646 0.000 . 1213 118 118 LEU HG H 1.449 0.000 . 1214 118 118 LEU HD1 H 0.807 0.000 . 1215 118 118 LEU HD2 H 0.712 0.000 . 1216 118 118 LEU CA C 53.577 0.000 . 1217 118 118 LEU CB C 41.273 0.000 . 1218 118 118 LEU CG C 24.760 0.000 . 1219 118 118 LEU CD1 C 23.828 0.000 . 1220 118 118 LEU CD2 C 21.001 0.000 . 1221 118 118 LEU N N 117.316 0.000 . 1222 119 119 SER H H 8.545 0.000 . 1223 119 119 SER HA H 3.871 0.000 . 1224 119 119 SER HB2 H 3.758 0.000 . 1225 119 119 SER HB3 H 3.887 0.000 . 1226 119 119 SER C C 172.947 0.000 . 1227 119 119 SER CA C 58.516 0.000 . 1228 119 119 SER CB C 60.179 0.000 . 1229 119 119 SER N N 113.505 0.000 . 1230 120 120 SER H H 7.889 0.000 . 1231 120 120 SER HA H 4.345 0.000 . 1232 120 120 SER HB2 H 3.994 0.000 . 1233 120 120 SER CA C 57.020 0.000 . 1234 120 120 SER CB C 60.870 0.000 . 1235 120 120 SER N N 111.486 0.000 . 1236 121 121 LYS H H 7.632 0.000 . 1237 121 121 LYS HA H 4.615 0.000 . 1238 121 121 LYS HB2 H 1.787 0.000 . 1239 121 121 LYS HB3 H 1.998 0.000 . 1240 121 121 LYS HG2 H 1.472 0.000 . 1241 121 121 LYS HD2 H 1.539 0.000 . 1242 121 121 LYS HD3 H 1.539 0.000 . 1243 121 121 LYS HE2 H 3.056 0.000 . 1244 121 121 LYS HE3 H 3.056 0.000 . 1245 121 121 LYS C C 173.510 0.000 . 1246 121 121 LYS CA C 54.200 0.000 . 1247 121 121 LYS CB C 33.891 0.000 . 1248 121 121 LYS CG C 22.287 0.000 . 1249 121 121 LYS CD C 26.728 0.000 . 1250 121 121 LYS CE C 39.660 0.000 . 1251 121 121 LYS N N 118.294 0.000 . 1252 122 122 VAL H H 7.308 0.000 . 1253 122 122 VAL HA H 5.213 0.000 . 1254 122 122 VAL HB H 1.904 0.000 . 1255 122 122 VAL HG1 H 0.737 0.000 . 1256 122 122 VAL HG2 H 0.547 0.000 . 1257 122 122 VAL CA C 55.452 0.000 . 1258 122 122 VAL CB C 33.601 0.000 . 1259 122 122 VAL CG1 C 18.967 0.000 . 1260 122 122 VAL CG2 C 15.039 0.000 . 1261 122 122 VAL N N 110.300 0.000 . 1262 123 123 LYS H H 8.740 0.000 . 1263 123 123 LYS HA H 4.556 0.000 . 1264 123 123 LYS HB2 H 1.629 0.000 . 1265 123 123 LYS HG2 H 1.190 0.000 . 1266 123 123 LYS HG3 H 1.190 0.000 . 1267 123 123 LYS HE2 H 2.963 0.000 . 1268 123 123 LYS HE3 H 2.963 0.000 . 1269 123 123 LYS C C 173.165 0.000 . 1270 123 123 LYS CA C 51.695 0.000 . 1271 123 123 LYS CB C 32.894 0.000 . 1272 123 123 LYS CG C 22.379 0.000 . 1273 123 123 LYS CD C 27.100 0.000 . 1274 123 123 LYS CE C 39.634 0.000 . 1275 123 123 LYS N N 119.285 0.000 . 1276 124 124 LEU H H 9.050 0.000 . 1277 124 124 LEU HA H 4.127 0.000 . 1278 124 124 LEU HB2 H 1.224 0.000 . 1279 124 124 LEU HB3 H 1.456 0.000 . 1280 124 124 LEU HG H 1.304 0.000 . 1281 124 124 LEU HD1 H 0.627 0.000 . 1282 124 124 LEU HD2 H 0.567 0.000 . 1283 124 124 LEU C C 172.462 0.000 . 1284 124 124 LEU CA C 52.549 0.000 . 1285 124 124 LEU CB C 39.328 0.000 . 1286 124 124 LEU CG C 25.042 0.000 . 1287 124 124 LEU CD1 C 22.902 0.000 . 1288 124 124 LEU CD2 C 23.613 0.000 . 1289 124 124 LEU N N 126.921 0.000 . 1290 125 125 LEU H H 8.681 0.000 . 1291 125 125 LEU HA H 4.317 0.000 . 1292 125 125 LEU HB2 H 1.101 0.000 . 1293 125 125 LEU HB3 H 1.225 0.000 . 1294 125 125 LEU HG H 1.324 0.000 . 1295 125 125 LEU HD1 H 0.511 0.000 . 1296 125 125 LEU HD2 H -0.057 0.000 . 1297 125 125 LEU C C 173.981 0.000 . 1298 125 125 LEU CA C 53.464 0.000 . 1299 125 125 LEU CB C 39.649 0.000 . 1300 125 125 LEU CG C 23.509 0.000 . 1301 125 125 LEU CD1 C 19.444 0.000 . 1302 125 125 LEU CD2 C 22.464 0.000 . 1303 125 125 LEU N N 126.099 0.000 . 1304 126 126 GLN H H 7.044 0.000 . 1305 126 126 GLN HA H 4.371 0.000 . 1306 126 126 GLN HB2 H 1.560 0.000 . 1307 126 126 GLN HB3 H 1.844 0.000 . 1308 126 126 GLN HG2 H 2.098 0.000 . 1309 126 126 GLN HG3 H 2.098 0.000 . 1310 126 126 GLN HE21 H 6.561 0.000 . 1311 126 126 GLN HE22 H 7.773 0.000 . 1312 126 126 GLN CA C 52.134 0.000 . 1313 126 126 GLN CB C 31.027 0.000 . 1314 126 126 GLN CG C 30.900 0.000 . 1315 126 126 GLN N N 113.030 0.000 . 1316 126 126 GLN NE2 N 112.306 0.000 . 1317 127 127 LEU H H 8.423 0.000 . 1318 127 127 LEU HA H 4.475 0.000 . 1319 127 127 LEU HB2 H 1.687 0.000 . 1320 127 127 LEU HB3 H 1.025 0.000 . 1321 127 127 LEU HG H 1.323 0.000 . 1322 127 127 LEU HD1 H 0.960 0.000 . 1323 127 127 LEU HD2 H 0.566 0.000 . 1324 127 127 LEU CA C 52.003 0.000 . 1325 127 127 LEU CB C 42.676 0.000 . 1326 127 127 LEU CG C 25.584 0.000 . 1327 127 127 LEU CD2 C 22.559 0.000 . 1328 127 127 LEU N N 126.206 0.000 . 1329 128 128 TYR H H 9.060 0.000 . 1330 128 128 TYR HA H 4.921 0.000 . 1331 128 128 TYR HB2 H 3.282 0.000 . 1332 128 128 TYR HB3 H 3.053 0.000 . 1333 128 128 TYR HD1 H 7.114 0.000 . 1334 128 128 TYR HD2 H 7.114 0.000 . 1335 128 128 TYR HE1 H 6.724 0.000 . 1336 128 128 TYR HE2 H 6.724 0.000 . 1337 128 128 TYR CA C 54.184 0.000 . 1338 128 128 TYR CB C 34.272 0.000 . 1339 128 128 TYR CD1 C 130.275 0.000 . 1340 128 128 TYR CD2 C 130.277 0.000 . 1341 128 128 TYR CE1 C 114.832 0.000 . 1342 128 128 TYR CE2 C 114.832 0.000 . 1343 128 128 TYR N N 127.886 0.000 . 1344 129 129 SER H H 8.673 0.000 . 1345 129 129 SER HA H 4.039 0.000 . 1346 129 129 SER HB2 H 4.064 0.000 . 1347 129 129 SER HB3 H 4.064 0.000 . 1348 129 129 SER CA C 52.327 0.000 . 1349 129 129 SER CB C 60.236 0.000 . 1350 129 129 SER N N 120.191 0.000 . 1351 130 130 GLU H H 9.215 0.000 . 1352 130 130 GLU HA H 4.197 0.000 . 1353 130 130 GLU HB2 H 2.136 0.000 . 1354 130 130 GLU HG2 H 2.412 0.000 . 1355 130 130 GLU HG3 H 2.345 0.000 . 1356 130 130 GLU C C 174.506 0.000 . 1357 130 130 GLU CA C 56.326 0.000 . 1358 130 130 GLU CB C 26.352 0.000 . 1359 130 130 GLU CG C 34.064 0.000 . 1360 130 130 GLU N N 121.619 0.000 . 1361 131 131 ALA H H 7.482 0.000 . 1362 131 131 ALA HA H 4.445 0.000 . 1363 131 131 ALA HB H 1.420 0.000 . 1364 131 131 ALA C C 173.627 0.000 . 1365 131 131 ALA CA C 48.899 0.000 . 1366 131 131 ALA CB C 17.914 0.000 . 1367 131 131 ALA N N 119.654 0.000 . 1368 132 132 SER H H 7.971 0.000 . 1369 132 132 SER HA H 3.798 0.000 . 1370 132 132 SER HB2 H 3.806 0.000 . 1371 132 132 SER HB3 H 3.676 0.000 . 1372 132 132 SER C C 170.185 0.000 . 1373 132 132 SER CA C 56.274 0.000 . 1374 132 132 SER CB C 58.940 0.000 . 1375 132 132 SER N N 112.146 0.000 . 1376 133 133 VAL H H 7.553 0.000 . 1377 133 133 VAL HA H 5.276 0.000 . 1378 133 133 VAL HB H 2.008 0.000 . 1379 133 133 VAL HG1 H 0.991 0.000 . 1380 133 133 VAL HG2 H 0.919 0.000 . 1381 133 133 VAL C C 171.163 0.000 . 1382 133 133 VAL CA C 56.800 0.000 . 1383 133 133 VAL CB C 34.311 0.000 . 1384 133 133 VAL CG1 C 20.008 0.000 . 1385 133 133 VAL CG2 C 18.944 0.000 . 1386 133 133 VAL N N 113.757 0.000 . 1387 134 134 ALA H H 9.717 0.000 . 1388 134 134 ALA HA H 5.484 0.000 . 1389 134 134 ALA HB H 1.251 0.000 . 1390 134 134 ALA CA C 47.415 0.000 . 1391 134 134 ALA CB C 20.194 0.000 . 1392 134 134 ALA N N 125.522 0.000 . 1393 135 135 LEU H H 8.939 0.000 . 1394 135 135 LEU HA H 4.671 0.000 . 1395 135 135 LEU HB2 H 1.733 0.000 . 1396 135 135 LEU HB3 H 1.476 0.000 . 1397 135 135 LEU HG H 1.195 0.000 . 1398 135 135 LEU HD1 H 0.654 0.000 . 1399 135 135 LEU HD2 H 0.208 0.000 . 1400 135 135 LEU CA C 63.200 0.000 . 1401 135 135 LEU CB C 42.726 0.000 . 1402 135 135 LEU CG C 24.585 0.000 . 1403 135 135 LEU CD1 C 23.974 0.000 . 1404 135 135 LEU CD2 C 19.510 0.000 . 1405 135 135 LEU N N 124.257 0.000 . 1406 136 136 LEU H H 9.236 0.000 . 1407 136 136 LEU HA H 4.979 0.000 . 1408 136 136 LEU HB2 H 1.100 0.000 . 1409 136 136 LEU HB3 H 1.488 0.000 . 1410 136 136 LEU HG H 1.624 0.000 . 1411 136 136 LEU HD1 H 0.606 0.000 . 1412 136 136 LEU HD2 H 0.690 0.000 . 1413 136 136 LEU C C 171.568 0.000 . 1414 136 136 LEU CA C 49.953 0.000 . 1415 136 136 LEU CB C 42.798 0.000 . 1416 136 136 LEU CG C 23.460 0.000 . 1417 136 136 LEU CD1 C 21.557 0.000 . 1418 136 136 LEU CD2 C 23.339 0.000 . 1419 136 136 LEU N N 125.422 0.000 . 1420 137 137 LYS H H 8.807 0.000 . 1421 137 137 LYS HA H 5.012 0.000 . 1422 137 137 LYS HB2 H 1.350 0.000 . 1423 137 137 LYS HB3 H 1.637 0.000 . 1424 137 137 LYS HG2 H 1.350 0.000 . 1425 137 137 LYS HG3 H 1.350 0.000 . 1426 137 137 LYS HE3 H 3.052 0.000 . 1427 137 137 LYS CA C 51.398 0.000 . 1428 137 137 LYS CB C 33.145 0.000 . 1429 137 137 LYS CG C 22.592 0.000 . 1430 137 137 LYS CD C 29.313 0.000 . 1431 137 137 LYS CE C 39.988 0.000 . 1432 137 137 LYS N N 120.142 0.000 . 1433 138 138 LEU H H 8.717 0.000 . 1434 138 138 LEU HA H 4.273 0.000 . 1435 138 138 LEU HB2 H 1.324 0.000 . 1436 138 138 LEU HB3 H 1.515 0.000 . 1437 138 138 LEU HG H 1.340 0.000 . 1438 138 138 LEU HD1 H 0.738 0.000 . 1439 138 138 LEU HD2 H 0.599 0.000 . 1440 138 138 LEU C C 173.512 0.000 . 1441 138 138 LEU CA C 52.289 0.000 . 1442 138 138 LEU CB C 39.208 0.000 . 1443 138 138 LEU CG C 25.978 0.000 . 1444 138 138 LEU CD1 C 18.977 0.000 . 1445 138 138 LEU CD2 C 21.604 0.000 . 1446 138 138 LEU N N 128.557 0.000 . 1447 139 139 ASN H H 8.156 0.000 . 1448 139 139 ASN HA H 4.332 0.000 . 1449 139 139 ASN HB2 H 2.768 0.000 . 1450 139 139 ASN HB3 H 2.837 0.000 . 1451 139 139 ASN HD21 H 7.263 0.000 . 1452 139 139 ASN HD22 H 6.675 0.000 . 1453 139 139 ASN C C 173.325 0.000 . 1454 139 139 ASN CA C 52.778 0.000 . 1455 139 139 ASN CB C 34.957 0.000 . 1456 139 139 ASN N N 122.417 0.000 . 1457 139 139 ASN ND2 N 110.300 0.000 . 1458 140 140 ASN H H 9.065 0.000 . 1459 140 140 ASN HA H 5.035 0.000 . 1460 140 140 ASN HB2 H 2.995 0.000 . 1461 140 140 ASN HB3 H 2.659 0.000 . 1462 140 140 ASN HD21 H 6.880 0.000 . 1463 140 140 ASN HD22 H 7.695 0.000 . 1464 140 140 ASN CA C 47.711 0.000 . 1465 140 140 ASN CB C 37.855 0.000 . 1466 140 140 ASN N N 117.053 0.000 . 1467 140 140 ASN ND2 N 113.230 0.000 . 1468 141 141 PRO HA H 4.204 0.000 . 1469 141 141 PRO HB2 H 2.190 0.000 . 1470 141 141 PRO HG2 H 2.004 0.000 . 1471 141 141 PRO HG3 H 1.895 0.000 . 1472 141 141 PRO HD2 H 3.747 0.000 . 1473 141 141 PRO HD3 H 3.841 0.000 . 1474 141 141 PRO CA C 62.720 0.000 . 1475 141 141 PRO CB C 28.283 0.000 . 1476 141 141 PRO CG C 24.899 0.000 . 1477 141 141 PRO CD C 48.261 0.000 . 1478 142 142 LYS H H 8.096 0.000 . 1479 142 142 LYS HA H 4.207 0.000 . 1480 142 142 LYS HB2 H 1.870 0.000 . 1481 142 142 LYS HB3 H 1.799 0.000 . 1482 142 142 LYS HG2 H 1.496 0.000 . 1483 142 142 LYS HG3 H 1.425 0.000 . 1484 142 142 LYS HD2 H 1.674 0.000 . 1485 142 142 LYS HD3 H 1.674 0.000 . 1486 142 142 LYS HE2 H 2.994 0.000 . 1487 142 142 LYS HE3 H 2.994 0.000 . 1488 142 142 LYS C C 175.296 0.000 . 1489 142 142 LYS CA C 55.710 0.000 . 1490 142 142 LYS CB C 29.504 0.000 . 1491 142 142 LYS CG C 22.713 0.000 . 1492 142 142 LYS CD C 26.593 0.000 . 1493 142 142 LYS CE C 39.684 0.000 . 1494 142 142 LYS N N 116.432 0.000 . 1495 143 143 ASP H H 8.263 0.000 . 1496 143 143 ASP HA H 4.578 0.000 . 1497 143 143 ASP HB2 H 2.935 0.000 . 1498 143 143 ASP HB3 H 2.557 0.000 . 1499 143 143 ASP CA C 53.559 0.000 . 1500 143 143 ASP CB C 38.271 0.000 . 1501 143 143 ASP N N 118.624 0.000 . 1502 144 144 PHE H H 7.802 0.000 . 1503 144 144 PHE HA H 3.794 0.000 . 1504 144 144 PHE HB2 H 3.165 0.000 . 1505 144 144 PHE HB3 H 3.218 0.000 . 1506 144 144 PHE HD1 H 7.095 0.000 . 1507 144 144 PHE HD2 H 7.095 0.000 . 1508 144 144 PHE HE1 H 7.182 0.000 . 1509 144 144 PHE HE2 H 7.182 0.000 . 1510 144 144 PHE CA C 60.081 0.000 . 1511 144 144 PHE CB C 36.538 0.000 . 1512 144 144 PHE CD1 C 129.303 0.000 . 1513 144 144 PHE CD2 C 129.303 0.000 . 1514 144 144 PHE CE1 C 128.550 0.000 . 1515 144 144 PHE CZ C 126.374 0.000 . 1516 144 144 PHE N N 120.181 0.000 . 1517 145 145 GLN H H 8.160 0.000 . 1518 145 145 GLN HA H 3.996 0.000 . 1519 145 145 GLN HB2 H 2.203 0.000 . 1520 145 145 GLN HB3 H 2.146 0.000 . 1521 145 145 GLN HG2 H 2.520 0.000 . 1522 145 145 GLN HG3 H 2.520 0.000 . 1523 145 145 GLN HE21 H 7.623 0.000 . 1524 145 145 GLN HE22 H 6.924 0.000 . 1525 145 145 GLN C C 175.416 0.000 . 1526 145 145 GLN CA C 56.261 0.000 . 1527 145 145 GLN CB C 25.574 0.000 . 1528 145 145 GLN CG C 31.533 0.000 . 1529 145 145 GLN N N 116.568 0.000 . 1530 145 145 GLN NE2 N 111.928 0.000 . 1531 146 146 GLU H H 7.687 0.000 . 1532 146 146 GLU HA H 4.079 0.000 . 1533 146 146 GLU HB2 H 2.034 0.000 . 1534 146 146 GLU HG2 H 2.226 0.000 . 1535 146 146 GLU HG3 H 2.289 0.000 . 1536 146 146 GLU C C 176.044 0.000 . 1537 146 146 GLU CA C 55.748 0.000 . 1538 146 146 GLU CB C 27.020 0.000 . 1539 146 146 GLU CG C 33.488 0.000 . 1540 146 146 GLU N N 118.425 0.000 . 1541 147 147 LEU H H 7.906 0.000 . 1542 147 147 LEU HA H 3.974 0.000 . 1543 147 147 LEU HB2 H 1.187 0.000 . 1544 147 147 LEU HB3 H 1.602 0.000 . 1545 147 147 LEU HG H 1.658 0.000 . 1546 147 147 LEU HD1 H 0.708 0.000 . 1547 147 147 LEU HD2 H 0.615 0.000 . 1548 147 147 LEU CA C 54.492 0.000 . 1549 147 147 LEU CB C 39.483 0.000 . 1550 147 147 LEU CG C 24.199 0.000 . 1551 147 147 LEU CD1 C 21.079 0.000 . 1552 147 147 LEU CD2 C 22.730 0.000 . 1553 147 147 LEU N N 119.274 0.000 . 1554 148 148 ASN H H 7.831 0.000 . 1555 148 148 ASN HA H 4.416 0.000 . 1556 148 148 ASN HB2 H 2.553 0.000 . 1557 148 148 ASN HB3 H 2.270 0.000 . 1558 148 148 ASN HD21 H 6.514 0.000 . 1559 148 148 ASN HD22 H 7.234 0.000 . 1560 148 148 ASN CA C 51.937 0.000 . 1561 148 148 ASN CB C 37.015 0.000 . 1562 148 148 ASN N N 115.796 0.000 . 1563 148 148 ASN ND2 N 111.444 0.000 . 1564 149 149 LYS H H 7.563 0.000 . 1565 149 149 LYS HA H 4.213 0.000 . 1566 149 149 LYS HB2 H 1.848 0.000 . 1567 149 149 LYS HG2 H 1.435 0.000 . 1568 149 149 LYS HG3 H 1.534 0.000 . 1569 149 149 LYS HD2 H 1.740 0.000 . 1570 149 149 LYS HD3 H 1.868 0.000 . 1571 149 149 LYS CA C 54.505 0.000 . 1572 149 149 LYS CB C 30.369 0.000 . 1573 149 149 LYS CG C 22.479 0.000 . 1574 149 149 LYS CD C 29.488 0.000 . 1575 149 149 LYS N N 118.676 0.000 . 1576 150 150 GLN H H 7.916 0.000 . 1577 150 150 GLN HA H 4.244 0.000 . 1578 150 150 GLN HB2 H 2.058 0.000 . 1579 150 150 GLN HB3 H 2.142 0.000 . 1580 150 150 GLN HG2 H 2.446 0.000 . 1581 150 150 GLN HG3 H 2.446 0.000 . 1582 150 150 GLN HE21 H 7.454 0.000 . 1583 150 150 GLN CA C 53.800 0.000 . 1584 150 150 GLN CB C 26.378 0.000 . 1585 150 150 GLN CG C 31.445 0.000 . 1586 150 150 GLN N N 119.042 0.000 . 1587 150 150 GLN NE2 N 111.852 0.000 . 1588 151 151 THR H H 8.035 0.000 . 1589 151 151 THR HA H 4.249 0.000 . 1590 151 151 THR HB H 4.337 0.000 . 1591 151 151 THR HG2 H 1.235 0.000 . 1592 151 151 THR CA C 60.157 0.000 . 1593 151 151 THR CB C 66.718 0.000 . 1594 151 151 THR CG2 C 19.359 0.000 . 1595 151 151 THR N N 113.584 0.000 . 1596 152 152 LYS H H 8.072 0.000 . 1597 152 152 LYS HA H 4.262 0.000 . 1598 152 152 LYS HB2 H 1.800 0.000 . 1599 152 152 LYS HB3 H 1.881 0.000 . 1600 152 152 LYS HG2 H 1.433 0.000 . 1601 152 152 LYS HG3 H 1.433 0.000 . 1602 152 152 LYS HD2 H 1.664 0.000 . 1603 152 152 LYS HD3 H 1.664 0.000 . 1604 152 152 LYS HE2 H 2.957 0.000 . 1605 152 152 LYS HE3 H 2.957 0.000 . 1606 152 152 LYS C C 174.612 0.000 . 1607 152 152 LYS CA C 54.295 0.000 . 1608 152 152 LYS CB C 30.028 0.000 . 1609 152 152 LYS CG C 22.560 0.000 . 1610 152 152 LYS CD C 26.602 0.000 . 1611 152 152 LYS N N 121.773 0.000 . 1612 153 153 LYS H H 8.035 0.000 . 1613 153 153 LYS HA H 4.217 0.000 . 1614 153 153 LYS HB2 H 1.799 0.000 . 1615 153 153 LYS HB3 H 1.882 0.000 . 1616 153 153 LYS HG2 H 1.495 0.000 . 1617 153 153 LYS HG3 H 1.431 0.000 . 1618 153 153 LYS HE2 H 2.957 0.000 . 1619 153 153 LYS HE3 H 2.957 0.000 . 1620 153 153 LYS C C 173.729 0.000 . 1621 153 153 LYS CA C 54.498 0.000 . 1622 153 153 LYS CB C 29.906 0.000 . 1623 153 153 LYS CG C 22.369 0.000 . 1624 153 153 LYS CE C 39.706 0.000 . 1625 153 153 LYS N N 119.573 0.000 . 1626 154 154 ASN H H 8.115 0.000 . 1627 154 154 ASN HA H 4.769 0.000 . 1628 154 154 ASN HB2 H 2.909 0.000 . 1629 154 154 ASN HB3 H 2.769 0.000 . 1630 154 154 ASN HD21 H 7.532 0.000 . 1631 154 154 ASN HD22 H 6.872 0.000 . 1632 154 154 ASN CA C 51.500 0.000 . 1633 154 154 ASN CB C 36.417 0.000 . 1634 154 154 ASN N N 116.954 0.000 . 1635 154 154 ASN ND2 N 112.193 0.000 . 1636 155 155 MET H H 8.247 0.000 . 1637 155 155 MET HA H 4.728 0.000 . 1638 155 155 MET HB2 H 2.010 0.000 . 1639 155 155 MET HB3 H 2.083 0.000 . 1640 155 155 MET HG2 H 2.411 0.000 . 1641 155 155 MET HG3 H 2.585 0.000 . 1642 155 155 MET HE H 1.927 0.000 . 1643 155 155 MET C C 171.622 0.000 . 1644 155 155 MET CA C 52.041 0.000 . 1645 155 155 MET CB C 31.515 0.000 . 1646 155 155 MET CG C 29.708 0.000 . 1647 155 155 MET CE C 14.512 0.000 . 1648 155 155 MET N N 121.588 0.000 . 1649 156 156 THR H H 7.868 0.000 . 1650 156 156 THR HA H 5.246 0.000 . 1651 156 156 THR HB H 3.705 0.000 . 1652 156 156 THR HG2 H 0.964 0.000 . 1653 156 156 THR C C 171.869 0.000 . 1654 156 156 THR CA C 57.090 0.000 . 1655 156 156 THR CB C 70.166 0.000 . 1656 156 156 THR CG2 C 18.815 0.000 . 1657 156 156 THR N N 112.525 0.000 . 1658 157 157 ILE H H 8.386 0.000 . 1659 157 157 ILE HA H 4.239 0.000 . 1660 157 157 ILE HB H 1.540 0.000 . 1661 157 157 ILE HG12 H 1.229 0.000 . 1662 157 157 ILE HG2 H 0.918 0.000 . 1663 157 157 ILE HD1 H 0.640 0.000 . 1664 157 157 ILE C C 172.628 0.000 . 1665 157 157 ILE CA C 59.052 0.000 . 1666 157 157 ILE CB C 39.243 0.000 . 1667 157 157 ILE CG1 C 24.871 0.000 . 1668 157 157 ILE CG2 C 15.083 0.000 . 1669 157 157 ILE CD1 C 12.392 0.000 . 1670 157 157 ILE N N 118.302 0.000 . 1671 158 158 ASP H H 9.300 0.000 . 1672 158 158 ASP HA H 4.337 0.000 . 1673 158 158 ASP HB2 H 2.981 0.000 . 1674 158 158 ASP HB3 H 2.688 0.000 . 1675 158 158 ASP C C 173.321 0.000 . 1676 158 158 ASP CA C 52.762 0.000 . 1677 158 158 ASP CB C 37.115 0.000 . 1678 158 158 ASP N N 128.218 0.000 . 1679 159 159 GLY H H 8.469 0.000 . 1680 159 159 GLY HA2 H 3.587 0.000 . 1681 159 159 GLY HA3 H 4.190 0.000 . 1682 159 159 GLY CA C 42.883 0.000 . 1683 159 159 GLY N N 102.560 0.000 . 1684 160 160 LYS H H 8.034 0.000 . 1685 160 160 LYS HA H 4.566 0.000 . 1686 160 160 LYS HB2 H 1.968 0.000 . 1687 160 160 LYS HB3 H 2.042 0.000 . 1688 160 160 LYS HG2 H 1.447 0.000 . 1689 160 160 LYS C C 172.868 0.000 . 1690 160 160 LYS CA C 52.688 0.000 . 1691 160 160 LYS CB C 30.130 0.000 . 1692 160 160 LYS CG C 22.252 0.000 . 1693 160 160 LYS N N 121.770 0.000 . 1694 161 161 GLU H H 8.551 0.000 . 1695 161 161 GLU HA H 4.266 0.000 . 1696 161 161 GLU HB2 H 1.950 0.000 . 1697 161 161 GLU HG2 H 2.306 0.000 . 1698 161 161 GLU HG3 H 2.233 0.000 . 1699 161 161 GLU C C 173.610 0.000 . 1700 161 161 GLU CA C 54.388 0.000 . 1701 161 161 GLU CB C 28.018 0.000 . 1702 161 161 GLU CG C 33.934 0.000 . 1703 161 161 GLU N N 123.150 0.000 . 1704 162 162 LEU H H 8.332 0.000 . 1705 162 162 LEU HA H 4.939 0.000 . 1706 162 162 LEU HB2 H 1.437 0.000 . 1707 162 162 LEU HB3 H 1.646 0.000 . 1708 162 162 LEU HD1 H 0.725 0.000 . 1709 162 162 LEU HD2 H 0.755 0.000 . 1710 162 162 LEU C C 173.609 0.000 . 1711 162 162 LEU CA C 50.918 0.000 . 1712 162 162 LEU CB C 41.030 0.000 . 1713 162 162 LEU CD1 C 22.804 0.000 . 1714 162 162 LEU CD2 C 20.137 0.000 . 1715 162 162 LEU N N 123.255 0.000 . 1716 163 163 THR H H 8.541 0.000 . 1717 163 163 THR HA H 4.536 0.000 . 1718 163 163 THR HB H 3.886 0.000 . 1719 163 163 THR HG2 H 1.133 0.000 . 1720 163 163 THR C C 170.428 0.000 . 1721 163 163 THR CA C 59.334 0.000 . 1722 163 163 THR CB C 68.883 0.000 . 1723 163 163 THR CG2 C 18.774 0.000 . 1724 163 163 THR N N 115.587 0.000 . 1725 164 164 ILE H H 8.871 0.000 . 1726 164 164 ILE HA H 5.164 0.000 . 1727 164 164 ILE HB H 1.609 0.000 . 1728 164 164 ILE HG12 H 1.415 0.000 . 1729 164 164 ILE HG13 H 0.999 0.000 . 1730 164 164 ILE HG2 H 0.652 0.000 . 1731 164 164 ILE HD1 H 0.627 0.000 . 1732 164 164 ILE CA C 56.814 0.000 . 1733 164 164 ILE CB C 37.130 0.000 . 1734 164 164 ILE CG1 C 25.985 0.000 . 1735 164 164 ILE CG2 C 15.100 0.000 . 1736 164 164 ILE CD1 C 11.366 0.000 . 1737 164 164 ILE N N 127.058 0.000 . 1738 165 165 SER H H 9.327 0.000 . 1739 165 165 SER HA H 5.305 0.000 . 1740 165 165 SER HB2 H 4.086 0.000 . 1741 165 165 SER HB3 H 3.825 0.000 . 1742 165 165 SER CA C 53.505 0.000 . 1743 165 165 SER CB C 61.937 0.000 . 1744 165 165 SER N N 122.727 0.000 . 1745 166 166 PRO HA H 4.320 0.000 . 1746 166 166 PRO HB2 H 1.375 0.000 . 1747 166 166 PRO HB3 H 1.884 0.000 . 1748 166 166 PRO HG2 H 2.112 0.000 . 1749 166 166 PRO HG3 H 1.879 0.000 . 1750 166 166 PRO HD2 H 3.880 0.000 . 1751 166 166 PRO HD3 H 4.012 0.000 . 1752 166 166 PRO C C 170.973 0.000 . 1753 166 166 PRO CA C 60.363 0.000 . 1754 166 166 PRO CB C 29.866 0.000 . 1755 166 166 PRO CG C 25.108 0.000 . 1756 166 166 PRO CD C 48.729 0.000 . 1757 167 167 ALA H H 8.258 0.000 . 1758 167 167 ALA HA H 4.809 0.000 . 1759 167 167 ALA HB H 0.847 0.000 . 1760 167 167 ALA CA C 47.629 0.000 . 1761 167 167 ALA CB C 20.021 0.000 . 1762 167 167 ALA N N 120.909 0.000 . 1763 168 168 TYR H H 8.300 0.000 . 1764 168 168 TYR HA H 5.123 0.000 . 1765 168 168 TYR HB2 H 2.713 0.000 . 1766 168 168 TYR HB3 H 2.713 0.000 . 1767 168 168 TYR HD1 H 6.782 0.000 . 1768 168 168 TYR HD2 H 6.782 0.000 . 1769 168 168 TYR HE1 H 6.644 0.000 . 1770 168 168 TYR HE2 H 6.644 0.000 . 1771 168 168 TYR C C 171.450 0.000 . 1772 168 168 TYR CA C 53.412 0.000 . 1773 168 168 TYR CB C 40.023 0.000 . 1774 168 168 TYR CD1 C 130.738 0.000 . 1775 168 168 TYR CD2 C 130.738 0.000 . 1776 168 168 TYR CE1 C 115.025 0.000 . 1777 168 168 TYR CE2 C 115.025 0.000 . 1778 168 168 TYR N N 117.928 0.000 . 1779 169 169 LEU H H 9.295 0.000 . 1780 169 169 LEU HA H 5.030 0.000 . 1781 169 169 LEU HB2 H 1.418 0.000 . 1782 169 169 LEU HB3 H 1.481 0.000 . 1783 169 169 LEU HG H 1.099 0.000 . 1784 169 169 LEU HD1 H 0.033 0.000 . 1785 169 169 LEU HD2 H 0.400 0.000 . 1786 169 169 LEU C C 172.024 0.000 . 1787 169 169 LEU CA C 51.286 0.000 . 1788 169 169 LEU CB C 42.944 0.000 . 1789 169 169 LEU CG C 24.876 0.000 . 1790 169 169 LEU CD1 C 22.142 0.000 . 1791 169 169 LEU CD2 C 22.504 0.000 . 1792 169 169 LEU N N 123.466 0.000 . 1793 170 170 LEU H H 8.660 0.000 . 1794 170 170 LEU HA H 4.618 0.000 . 1795 170 170 LEU HB2 H 1.582 0.000 . 1796 170 170 LEU HB3 H 1.207 0.000 . 1797 170 170 LEU HG H 1.552 0.000 . 1798 170 170 LEU HD1 H 0.743 0.000 . 1799 170 170 LEU CA C 50.887 0.000 . 1800 170 170 LEU CB C 42.678 0.000 . 1801 170 170 LEU CG C 24.527 0.000 . 1802 170 170 LEU CD1 C 23.100 0.000 . 1803 170 170 LEU CD2 C 21.406 0.000 . 1804 170 170 LEU N N 126.697 0.000 . 1805 171 171 TRP H H 8.373 0.000 . 1806 171 171 TRP HA H 5.088 0.000 . 1807 171 171 TRP HB2 H 3.067 0.000 . 1808 171 171 TRP HB3 H 3.344 0.000 . 1809 171 171 TRP HD1 H 7.089 0.000 . 1810 171 171 TRP HE1 H 9.480 0.000 . 1811 171 171 TRP HE3 H 6.784 0.000 . 1812 171 171 TRP HZ2 H 7.033 0.000 . 1813 171 171 TRP HZ3 H 6.662 0.000 . 1814 171 171 TRP HH2 H 6.736 0.000 . 1815 171 171 TRP C C 172.381 0.000 . 1816 171 171 TRP CA C 54.029 0.000 . 1817 171 171 TRP CB C 28.203 0.000 . 1818 171 171 TRP CD1 C 124.888 0.000 . 1819 171 171 TRP CE3 C 115.843 0.000 . 1820 171 171 TRP CZ2 C 111.454 0.000 . 1821 171 171 TRP CZ3 C 118.233 0.000 . 1822 171 171 TRP CH2 C 120.180 0.000 . 1823 171 171 TRP N N 124.921 0.000 . 1824 171 171 TRP NE1 N 127.969 0.000 . 1825 172 172 ASP H H 8.208 0.000 . 1826 172 172 ASP HA H 4.522 0.000 . 1827 172 172 ASP HB2 H 2.350 0.000 . 1828 172 172 ASP HB3 H 2.484 0.000 . 1829 172 172 ASP CA C 53.314 0.000 . 1830 172 172 ASP CB C 41.055 0.000 . 1831 172 172 ASP N N 127.951 0.000 . stop_ save_