data_16334 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific backbone resonance assignment of Neuronal Calcium Sensor 1(NCS1) in non-myristoylated form. ; _BMRB_accession_number 16334 _BMRB_flat_file_name bmr16334.str _Entry_type original _Submission_date 2009-06-05 _Accession_date 2009-06-05 _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 Chary Kandala V. . 2 Chandra Kousik . . 3 Sharma Yogendra . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 737 "13C chemical shifts" 502 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-12-06 update author 'update entry citation and remove some THR HG1 shifts' 2010-07-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of myristoylated and non-myristoylated neuronal calcium sensor-1(NCS-1) embedded in a membrane' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20490953 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chandra Kousik . . 2 Ramakrishnan Venkatesh . . 3 Sharma Yogendra V. . 4 Chary Kandala V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 158 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nonmyristoylated NCS1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EF- hand protein' $Nonmyristoylated_Neuronal_Calcium_Sensor1 stop_ _System_molecular_weight 21537 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Nonmyristoylated_Neuronal_Calcium_Sensor1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nonmyristoylated_Neuronal_Calcium_Sensor1 _Molecular_mass . _Mol_thiol_state 'not available' loop_ _Biological_function 'NCS-1 interact with many proteins, some in calcium dependent and some in calcium independent ways like calcineurin, GRK2 (G-protein-coupled receptor kinase 2), D2 Dopamine receptor, IL1RAPL (interleukin-1 receptor accessory protein-like protein ARF1 (ADP Ribosylation factor, Nitric oxide synthase etc.' 'NCS-1 plays an important role in the modulation of neurotransmitter release and phosphatidylinositol signaling pathway.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MGKSNSKLKPEVVEELTRKT YFTEKEVQQWYKGFIKDCPS GQLDAAGFQKIYKQFFPFGD PTKFATFVFNVFDENKDGRI EFSEFIQALSVTSRGTLDEK LRWAFKLYDLDNDGYITRNE MLDIVDAIYQMVGNTVELPE EENTPEKRVDRIFAMMDKNA DGKLTLQEFQEGSKADPSIV QALSLYDGLV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 SER 5 ASN 6 SER 7 LYS 8 LEU 9 LYS 10 PRO 11 GLU 12 VAL 13 VAL 14 GLU 15 GLU 16 LEU 17 THR 18 ARG 19 LYS 20 THR 21 TYR 22 PHE 23 THR 24 GLU 25 LYS 26 GLU 27 VAL 28 GLN 29 GLN 30 TRP 31 TYR 32 LYS 33 GLY 34 PHE 35 ILE 36 LYS 37 ASP 38 CYS 39 PRO 40 SER 41 GLY 42 GLN 43 LEU 44 ASP 45 ALA 46 ALA 47 GLY 48 PHE 49 GLN 50 LYS 51 ILE 52 TYR 53 LYS 54 GLN 55 PHE 56 PHE 57 PRO 58 PHE 59 GLY 60 ASP 61 PRO 62 THR 63 LYS 64 PHE 65 ALA 66 THR 67 PHE 68 VAL 69 PHE 70 ASN 71 VAL 72 PHE 73 ASP 74 GLU 75 ASN 76 LYS 77 ASP 78 GLY 79 ARG 80 ILE 81 GLU 82 PHE 83 SER 84 GLU 85 PHE 86 ILE 87 GLN 88 ALA 89 LEU 90 SER 91 VAL 92 THR 93 SER 94 ARG 95 GLY 96 THR 97 LEU 98 ASP 99 GLU 100 LYS 101 LEU 102 ARG 103 TRP 104 ALA 105 PHE 106 LYS 107 LEU 108 TYR 109 ASP 110 LEU 111 ASP 112 ASN 113 ASP 114 GLY 115 TYR 116 ILE 117 THR 118 ARG 119 ASN 120 GLU 121 MET 122 LEU 123 ASP 124 ILE 125 VAL 126 ASP 127 ALA 128 ILE 129 TYR 130 GLN 131 MET 132 VAL 133 GLY 134 ASN 135 THR 136 VAL 137 GLU 138 LEU 139 PRO 140 GLU 141 GLU 142 GLU 143 ASN 144 THR 145 PRO 146 GLU 147 LYS 148 ARG 149 VAL 150 ASP 151 ARG 152 ILE 153 PHE 154 ALA 155 MET 156 MET 157 ASP 158 LYS 159 ASN 160 ALA 161 ASP 162 GLY 163 LYS 164 LEU 165 THR 166 LEU 167 GLN 168 GLU 169 PHE 170 GLN 171 GLU 172 GLY 173 SER 174 LYS 175 ALA 176 ASP 177 PRO 178 SER 179 ILE 180 VAL 181 GLN 182 ALA 183 LEU 184 SER 185 LEU 186 TYR 187 ASP 188 GLY 189 LEU 190 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 16726 "myristoylated NCS1" 100.00 190 100.00 100.00 1.00e-135 BMRB 4378 "calcium loaded un-myristoylated rat frequenin" 100.00 190 100.00 100.00 1.00e-135 PDB 1G8I "Crystal Structure Of Human Frequenin (Neuronal Calcium Sensor 1)" 100.00 190 100.00 100.00 1.00e-135 PDB 2LCP "Nmr Structure Of Calcium Loaded, Un-Myristoylated Human Ncs-1" 100.00 190 100.00 100.00 1.00e-135 PDB 4GUK "New Crystal Form Structure Of Human Ncs1" 100.00 190 100.00 100.00 1.00e-135 PDB 4OV2 "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 179 100.00 100.00 8.39e-126 PDB 4UYC "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 PDB 4YRU "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 177 100.00 100.00 9.13e-126 PDB 5AEQ "Neuronal Calcium Sensor (ncs-1)from Rattus Norvegicus" 100.00 190 100.00 100.00 1.00e-135 PDB 5AER "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With D2 Dopamine Receptor Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 PDB 5AFP "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" 100.00 190 100.00 100.00 1.00e-135 DBJ BAC37557 "unnamed protein product [Mus musculus]" 90.00 171 99.42 100.00 1.66e-120 DBJ BAG73169 "frequenin homolog [synthetic construct]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAA57678 "frequenin-like protein [Rattus norvegicus]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAA58867 "frequenin-like ubiquitous protein [Homo sapiens]" 100.00 190 100.00 100.00 1.00e-135 EMBL CAG05167 "unnamed protein product [Tetraodon nigroviridis]" 100.00 190 97.89 99.47 6.55e-133 EMBL CAH90617 "hypothetical protein [Pongo abelii]" 100.00 190 99.47 99.47 1.83e-134 EMBL CAJ81731 "frequenin homolog (Drosophila) [Xenopus (Silurana) tropicalis]" 100.00 190 99.47 100.00 3.84e-135 GB AAA85633 "mouse neuronal calcium sensor homologue [Gallus gallus]" 100.00 190 100.00 100.00 1.00e-135 GB AAA88510 "neuronal calcium sensor [Rattus norvegicus]" 100.00 190 100.00 100.00 1.00e-135 GB AAC59690 "frequenin [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 GB AAD01642 "neuronal calcium sensor-1 [Mus musculus]" 100.00 190 100.00 100.00 1.00e-135 GB AAF01804 "frequenin [Homo sapiens]" 100.00 190 98.95 98.95 1.27e-133 REF NP_001018350 "neuronal calcium sensor 1 [Danio rerio]" 100.00 190 97.89 100.00 4.00e-133 REF NP_001035637 "neuronal calcium sensor 1 [Bos taurus]" 100.00 190 98.95 99.47 3.17e-134 REF NP_001084088 "neuronal calcium sensor 1 [Xenopus laevis]" 100.00 190 98.95 99.47 1.79e-134 REF NP_001085136 "uncharacterized protein LOC432213 [Xenopus laevis]" 100.00 190 98.95 100.00 1.72e-134 REF NP_001122298 "neuronal calcium sensor 1 isoform 2 [Homo sapiens]" 88.42 172 100.00 100.00 7.06e-119 SP P62166 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP P62167 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP P62168 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" 100.00 190 100.00 100.00 1.00e-135 SP Q2V8Y7 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 98.95 99.47 3.17e-134 SP Q5RC90 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog" 100.00 190 99.47 99.47 1.83e-134 TPG DAA24173 "TPA: frequenin homolog [Bos taurus]" 88.42 168 99.40 99.40 1.18e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nonmyristoylated_Neuronal_Calcium_Sensor1 'Norway Rat' . Eukaryota Metazoa Rattus norvegicus 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 $Nonmyristoylated_Neuronal_Calcium_Sensor1 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Nonmyristoylated_Neuronal_Calcium_Sensor1 . mM 0.8 1 '[U-100% 13C; U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' TRIS 50 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' "Rochus' PhD thesis, Diss. ETH Nr. 15947." www.nmr.ch. stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 0.150 . M pH 7.4 0.1 pH pressure 1 . atm temperature 298 0.5 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 'EF- hand protein' _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 7 7 LYS C C 76.018 0.30 1 2 7 7 LYS CA C 55.79 0.30 1 3 7 7 LYS CB C 34.787 0.30 1 4 8 8 LEU H H 8.475 0.02 1 5 8 8 LEU HA H 4.134 0.02 1 6 8 8 LEU HB2 H 1.728 0.02 1 7 8 8 LEU HB3 H 1.728 0.02 1 8 8 8 LEU C C 177.261 0.30 1 9 8 8 LEU CA C 54.335 0.30 1 10 8 8 LEU CB C 43.227 0.30 1 11 8 8 LEU N N 124.349 0.30 1 12 9 9 LYS H H 8.394 0.02 1 13 9 9 LYS HA H 4.512 0.02 1 14 9 9 LYS HB2 H 1.728 0.02 1 15 9 9 LYS HB3 H 1.728 0.02 1 16 9 9 LYS HG2 H 0.971 0.02 1 17 9 9 LYS HG3 H 0.971 0.02 1 18 9 9 LYS CA C 55.325 0.30 1 19 9 9 LYS N N 124.406 0.30 1 20 10 10 PRO C C 178.764 0.30 1 21 10 10 PRO CA C 66.137 0.30 1 22 10 10 PRO CB C 32.142 0.30 1 23 11 11 GLU H H 9.933 0.02 1 24 11 11 GLU HA H 4.860 0.02 1 25 11 11 GLU HB2 H 2.182 0.02 1 26 11 11 GLU HB3 H 2.182 0.02 1 27 11 11 GLU C C 179.228 0.30 1 28 11 11 GLU CA C 59.761 0.30 1 29 11 11 GLU CB C 28.601 0.30 1 30 11 11 GLU N N 117.143 0.30 1 31 12 12 VAL H H 7.374 0.02 1 32 12 12 VAL HA H 3.922 0.02 1 33 12 12 VAL HB H 2.273 0.02 1 34 12 12 VAL HG1 H 1.153 0.02 1 35 12 12 VAL HG2 H 1.153 0.02 1 36 12 12 VAL CA C 65.564 0.30 1 37 12 12 VAL CB C 31.829 0.30 1 38 12 12 VAL N N 122.353 0.30 1 39 13 13 VAL H H 7.738 0.02 1 40 13 13 VAL HA H 4.195 0.02 1 41 13 13 VAL HB H 2.046 0.02 1 42 13 13 VAL HG1 H 1.062 0.02 1 43 13 13 VAL HG2 H 0.987 0.02 1 44 13 13 VAL C C 178.340 0.30 1 45 13 13 VAL CA C 67.607 0.30 1 46 13 13 VAL CB C 31.577 0.30 1 47 13 13 VAL N N 120.071 0.30 1 48 14 14 GLU H H 8.302 0.02 1 49 14 14 GLU HA H 4.082 0.02 1 50 14 14 GLU HB2 H 1.986 0.02 1 51 14 14 GLU HB3 H 1.986 0.02 1 52 14 14 GLU HG2 H 2.229 0.02 1 53 14 14 GLU HG3 H 2.229 0.02 1 54 14 14 GLU C C 179.188 0.30 1 55 14 14 GLU CA C 59.757 0.30 1 56 14 14 GLU CB C 29.740 0.30 1 57 14 14 GLU N N 119.357 0.30 1 58 15 15 GLU H H 7.456 0.02 1 59 15 15 GLU HA H 4.134 0.02 1 60 15 15 GLU HB2 H 1.925 0.02 1 61 15 15 GLU HB3 H 1.925 0.02 1 62 15 15 GLU C C 178.844 0.30 1 63 15 15 GLU CA C 59.679 0.30 1 64 15 15 GLU CB C 29.798 0.30 1 65 15 15 GLU N N 119.575 0.30 1 66 16 16 LEU H H 8.433 0.02 1 67 16 16 LEU HA H 4.097 0.02 1 68 16 16 LEU C C 180.229 0.30 1 69 16 16 LEU CA C 58.001 0.30 1 70 16 16 LEU CB C 42.377 0.30 1 71 16 16 LEU N N 117.377 0.30 1 72 17 17 THR H H 8.586 0.02 1 73 17 17 THR HA H 4.230 0.02 1 74 17 17 THR HB H 4.155 0.02 1 75 17 17 THR HG2 H 1.121 0.02 1 76 17 17 THR C C 175.757 0.30 1 77 17 17 THR CA C 66.072 0.30 1 78 17 17 THR CB C 69.100 0.30 1 79 17 17 THR N N 114.947 0.30 1 80 18 18 ARG H H 7.511 0.02 1 81 18 18 ARG HA H 4.331 0.02 1 82 18 18 ARG HB2 H 2.000 0.02 1 83 18 18 ARG HB3 H 2.000 0.02 1 84 18 18 ARG C C 178.418 0.30 1 85 18 18 ARG CA C 58.688 0.30 1 86 18 18 ARG CB C 30.699 0.30 1 87 18 18 ARG N N 119.177 0.30 1 88 19 19 LYS H H 7.584 0.02 1 89 19 19 LYS HA H 4.290 0.02 1 90 19 19 LYS HB2 H 2.032 0.02 1 91 19 19 LYS HB3 H 2.032 0.02 1 92 19 19 LYS HD2 H 1.424 0.02 2 93 19 19 LYS HD3 H 1.463 0.02 2 94 19 19 LYS HG2 H 1.713 0.02 1 95 19 19 LYS HG3 H 1.713 0.02 2 96 19 19 LYS C C 175.735 0.30 1 97 19 19 LYS CA C 56.928 0.30 1 98 19 19 LYS CB C 34.623 0.30 1 99 19 19 LYS N N 115.577 0.30 1 100 20 20 THR H H 7.355 0.02 1 101 20 20 THR HA H 4.705 0.02 1 102 20 20 THR HB H 4.371 0.02 1 103 20 20 THR HG2 H 1.347 0.02 1 104 20 20 THR CA C 60.388 0.30 1 105 20 20 THR N N 108.785 0.30 1 106 21 21 TYR H H 7.695 0.02 1 107 21 21 TYR HA H 4.755 0.02 1 108 21 21 TYR HB2 H 2.867 0.02 1 109 21 21 TYR HB3 H 2.867 0.02 1 110 21 21 TYR C C 175.863 0.30 1 111 21 21 TYR CA C 57.837 0.30 1 112 21 21 TYR CB C 38.858 0.30 1 113 21 21 TYR N N 114.363 0.30 1 114 22 22 PHE H H 7.674 0.02 1 115 22 22 PHE HA H 5.163 0.02 1 116 22 22 PHE HB2 H 2.893 0.02 1 117 22 22 PHE HB3 H 2.893 0.02 1 118 22 22 PHE C C 176.084 0.30 1 119 22 22 PHE CA C 57.551 0.30 1 120 22 22 PHE CB C 41.761 0.30 1 121 22 22 PHE N N 119.459 0.30 1 122 23 23 THR H H 9.404 0.02 1 123 23 23 THR HA H 5.251 0.02 1 124 23 23 THR HB H 5.037 0.02 1 125 23 23 THR HG2 H 1.538 0.02 1 126 23 23 THR CA C 60.821 0.30 1 127 23 23 THR N N 111.866 0.30 1 128 24 24 GLU H H 9.215 0.02 1 129 24 24 GLU HA H 4.860 0.02 1 130 24 24 GLU HB2 H 2.016 0.02 1 131 24 24 GLU HB3 H 2.016 0.02 1 132 24 24 GLU C C 178.766 0.30 1 133 24 24 GLU CA C 60.733 0.30 1 134 24 24 GLU CB C 29.437 0.30 1 135 24 24 GLU N N 120.984 0.30 1 136 25 25 LYS H H 8.110 0.02 1 137 25 25 LYS HA H 4.204 0.02 1 138 25 25 LYS HB2 H 1.910 0.02 1 139 25 25 LYS HB3 H 1.910 0.02 1 140 25 25 LYS C C 179.811 0.30 1 141 25 25 LYS CA C 59.566 0.30 1 142 25 25 LYS CB C 32.973 0.30 1 143 25 25 LYS N N 117.710 0.30 1 144 26 26 GLU H H 7.688 0.02 1 145 26 26 GLU HA H 4.149 0.02 1 146 26 26 GLU HB2 H 1.970 0.02 1 147 26 26 GLU HB3 H 1.970 0.02 1 148 26 26 GLU C C 179.120 0.30 1 149 26 26 GLU CA C 59.337 0.30 1 150 26 26 GLU CB C 30.473 0.30 1 151 26 26 GLU N N 119.407 0.30 1 152 27 27 VAL H H 8.988 0.02 1 153 27 27 VAL HA H 3.680 0.02 1 154 27 27 VAL HB H 2.394 0.02 1 155 27 27 VAL HG1 H 1.153 0.02 1 156 27 27 VAL HG2 H 1.153 0.02 1 157 27 27 VAL C C 178.040 0.30 1 158 27 27 VAL CA C 68.499 0.30 1 159 27 27 VAL CB C 31.671 0.30 1 160 27 27 VAL N N 119.812 0.30 1 161 28 28 GLN H H 7.979 0.02 1 162 28 28 GLN HA H 4.265 0.02 1 163 28 28 GLN C C 175.942 0.30 1 164 28 28 GLN CA C 59.516 0.30 1 165 28 28 GLN CB C 28.670 0.30 1 166 28 28 GLN N N 116.127 0.30 1 167 29 29 GLN H H 8.191 0.02 1 168 29 29 GLN HA H 4.089 0.02 1 169 29 29 GLN HB2 H 2.243 0.02 1 170 29 29 GLN HB3 H 2.243 0.02 1 171 29 29 GLN C C 179.642 0.30 1 172 29 29 GLN CA C 59.382 0.30 1 173 29 29 GLN CB C 28.597 0.30 1 174 29 29 GLN N N 121.012 0.30 1 175 30 30 TRP H H 8.778 0.02 1 176 30 30 TRP HA H 4.675 0.02 1 177 30 30 TRP HB2 H 3.490 0.02 1 178 30 30 TRP HB3 H 3.490 0.02 1 179 30 30 TRP C C 179.117 0.30 1 180 30 30 TRP CA C 61.134 0.30 1 181 30 30 TRP CB C 30.111 0.30 1 182 30 30 TRP N N 120.891 0.30 1 183 31 31 TYR H H 8.722 0.02 1 184 31 31 TYR HA H 4.862 0.02 1 185 31 31 TYR HB2 H 2.947 0.02 1 186 31 31 TYR HB3 H 2.947 0.02 1 187 31 31 TYR C C 176.094 0.30 1 188 31 31 TYR CA C 62.533 0.30 1 189 31 31 TYR CB C 37.988 0.30 1 190 31 31 TYR N N 121.091 0.30 1 191 32 32 LYS H H 7.799 0.02 1 192 32 32 LYS HA H 3.839 0.02 1 193 32 32 LYS HB2 H 2.031 0.02 1 194 32 32 LYS HB3 H 2.031 0.02 1 195 32 32 LYS C C 179.521 0.30 1 196 32 32 LYS CA C 59.967 0.30 1 197 32 32 LYS CB C 32.545 0.30 1 198 32 32 LYS N N 117.317 0.30 1 199 33 33 GLY H H 7.627 0.02 1 200 33 33 GLY HA2 H 3.968 0.02 1 201 33 33 GLY HA3 H 3.968 0.02 1 202 33 33 GLY CA C 47.372 0.30 1 203 33 33 GLY N N 104.402 0.30 1 204 34 34 PHE H H 8.610 0.02 1 205 34 34 PHE HA H 4.013 0.02 1 206 34 34 PHE HB2 H 3.196 0.02 1 207 34 34 PHE HB3 H 3.196 0.02 1 208 34 34 PHE C C 176.674 0.30 1 209 34 34 PHE CA C 61.458 0.30 1 210 34 34 PHE CB C 40.929 0.30 1 211 34 34 PHE N N 124.561 0.30 1 212 35 35 ILE H H 8.306 0.02 1 213 35 35 ILE HA H 4.035 0.02 1 214 35 35 ILE HB H 1.452 0.02 1 215 35 35 ILE HD1 H 0.731 0.02 1 216 35 35 ILE HG12 H 1.181 0.02 1 217 35 35 ILE HG13 H 1.181 0.02 1 218 35 35 ILE HG2 H 1.181 0.02 1 219 35 35 ILE C C 178.330 0.30 1 220 35 35 ILE CA C 59.672 0.30 1 221 35 35 ILE CB C 38.214 0.30 1 222 35 35 ILE N N 115.760 0.30 1 223 36 36 LYS H H 7.108 0.02 1 224 36 36 LYS HA H 3.968 0.02 1 225 36 36 LYS HB2 H 1.970 0.02 1 226 36 36 LYS HB3 H 1.970 0.02 1 227 36 36 LYS C C 177.638 0.30 1 228 36 36 LYS CA C 59.391 0.30 1 229 36 36 LYS CB C 32.121 0.30 1 230 36 36 LYS N N 122.023 0.30 1 231 37 37 ASP H H 7.262 0.02 1 232 37 37 ASP HA H 4.709 0.02 1 233 37 37 ASP HB2 H 2.802 0.02 1 234 37 37 ASP HB3 H 2.802 0.02 1 235 37 37 ASP C C 176.144 0.30 1 236 37 37 ASP CA C 55.579 0.30 1 237 37 37 ASP CB C 41.898 0.30 1 238 37 37 ASP N N 116.150 0.30 1 239 38 38 CYS H H 7.953 0.02 1 240 38 38 CYS HA H 4.679 0.02 1 241 38 38 CYS HB2 H 2.197 0.02 1 242 38 38 CYS HB3 H 2.197 0.02 1 243 38 38 CYS CA C 56.083 0.30 1 244 38 38 CYS N N 120.313 0.30 1 245 40 40 SER H H 8.264 0.02 1 246 40 40 SER HA H 4.346 0.02 1 247 40 40 SER CA C 59.443 0.30 1 248 40 40 SER CB C 59.443 0.30 1 249 40 40 SER N N 111.134 0.30 1 250 41 41 GLY H H 8.562 0.02 1 251 41 41 GLY HA2 H 3.747 0.02 1 252 41 41 GLY HA3 H 3.747 0.02 1 253 41 41 GLY C C 172.412 0.30 1 254 41 41 GLY CA C 46.130 0.30 1 255 41 41 GLY N N 110.372 0.30 1 256 42 42 GLN H H 7.575 0.02 1 257 42 42 GLN HA H 4.936 0.02 1 258 42 42 GLN HB2 H 1.758 0.02 1 259 42 42 GLN HB3 H 1.758 0.02 1 260 42 42 GLN HG2 H 2.106 0.02 1 261 42 42 GLN HG3 H 2.106 0.02 1 262 42 42 GLN C C 178.378 0.30 1 263 42 42 GLN CA C 54.321 0.30 1 264 42 42 GLN CB C 30.742 0.30 1 265 42 42 GLN N N 118.172 0.30 1 266 43 43 LEU H H 8.910 0.02 1 267 43 43 LEU HA H 4.936 0.02 1 268 43 43 LEU HB2 H 1.864 0.02 1 269 43 43 LEU HB3 H 1.864 0.02 1 270 43 43 LEU C C 176.449 0.30 1 271 43 43 LEU CA C 55.575 0.30 1 272 43 43 LEU CB C 44.697 0.30 1 273 43 43 LEU N N 126.610 0.30 1 274 44 44 ASP H H 8.250 0.02 1 275 44 44 ASP HA H 4.709 0.02 1 276 44 44 ASP HB2 H 3.347 0.02 1 277 44 44 ASP HB3 H 3.347 0.02 1 278 44 44 ASP C C 175.552 0.30 1 279 44 44 ASP CA C 52.036 0.30 1 280 44 44 ASP CB C 42.107 0.30 1 281 44 44 ASP N N 124.258 0.30 1 282 45 45 ALA H H 8.349 0.02 1 283 45 45 ALA HA H 4.195 0.02 1 284 45 45 ALA HB H 1.047 0.02 1 285 45 45 ALA C C 180.056 0.30 1 286 45 45 ALA CA C 56.300 0.30 1 287 45 45 ALA CB C 17.462 0.30 1 288 45 45 ALA N N 122.316 0.30 1 289 46 46 ALA H H 8.045 0.02 1 290 46 46 ALA HA H 4.164 0.02 1 291 46 46 ALA HB H 1.501 0.02 1 292 46 46 ALA C C 181.347 0.30 1 293 46 46 ALA CA C 55.103 0.30 1 294 46 46 ALA CB C 18.047 0.30 1 295 46 46 ALA N N 120.279 0.30 1 296 47 47 GLY H H 8.638 0.02 1 297 47 47 GLY HA2 H 4.008 0.02 1 298 47 47 GLY HA3 H 4.008 0.02 1 299 47 47 GLY CA C 47.410 0.30 1 300 47 47 GLY N N 108.955 0.30 1 301 48 48 PHE H H 8.872 0.02 1 302 48 48 PHE HA H 4.633 0.02 1 303 48 48 PHE HB2 H 3.453 0.02 1 304 48 48 PHE HB3 H 3.453 0.02 1 305 48 48 PHE C C 177.388 0.30 1 306 48 48 PHE CA C 62.022 0.30 1 307 48 48 PHE CB C 41.030 0.30 1 308 48 48 PHE N N 124.893 0.30 1 309 49 49 GLN H H 8.493 0.02 1 310 49 49 GLN HA H 3.839 0.02 1 311 49 49 GLN HB2 H 2.213 0.02 1 312 49 49 GLN HB3 H 2.213 0.02 1 313 49 49 GLN CA C 59.841 0.30 1 314 49 49 GLN N N 117.511 0.30 1 315 50 50 LYS C C 175.725 0.30 1 316 50 50 LYS CA C 60.272 0.30 1 317 50 50 LYS CB C 32.678 0.30 1 318 51 51 ILE H H 7.477 0.02 1 319 51 51 ILE HA H 3.862 0.02 1 320 51 51 ILE HB H 1.910 0.02 1 321 51 51 ILE HG12 H 1.123 0.02 2 322 51 51 ILE HG13 H 1.123 0.02 2 323 51 51 ILE C C 177.464 0.30 1 324 51 51 ILE CA C 64.411 0.30 1 325 51 51 ILE CB C 33.524 0.30 1 326 51 51 ILE N N 119.797 0.30 1 327 52 52 TYR H H 8.004 0.02 1 328 52 52 TYR C C 178.765 0.30 1 329 52 52 TYR CA C 63.894 0.30 1 330 52 52 TYR CB C 39.448 0.30 1 331 52 52 TYR N N 116.469 0.30 1 332 53 53 LYS H H 8.158 0.02 1 333 53 53 LYS HA H 4.113 0.02 1 334 53 53 LYS C C 177.512 0.30 1 335 53 53 LYS CA C 58.209 0.30 1 336 53 53 LYS CB C 32.415 0.30 1 337 53 53 LYS N N 117.724 0.30 1 338 54 54 GLN H H 7.391 0.02 1 339 54 54 GLN HA H 3.937 0.02 1 340 54 54 GLN HB2 H 1.819 0.02 1 341 54 54 GLN HB3 H 1.819 0.02 1 342 54 54 GLN HG2 H 2.061 0.02 1 343 54 54 GLN HG3 H 2.061 0.02 1 344 54 54 GLN CA C 58.570 0.30 1 345 54 54 GLN N N 116.049 0.30 1 346 55 55 PHE H H 7.232 0.02 1 347 55 55 PHE HA H 4.285 0.02 1 348 55 55 PHE C C 175.242 0.30 1 349 55 55 PHE CA C 59.059 0.30 1 350 55 55 PHE CB C 40.315 0.30 1 351 55 55 PHE N N 116.305 0.30 1 352 56 56 PHE H H 7.865 0.02 1 353 56 56 PHE HA H 5.039 0.02 1 354 56 56 PHE HB2 H 2.867 0.02 1 355 56 56 PHE HB3 H 2.867 0.02 1 356 56 56 PHE CA C 56.280 0.30 1 357 56 56 PHE N N 116.956 0.30 1 358 57 57 PRO C C 178.365 0.30 1 359 57 57 PRO CA C 64.608 0.30 1 360 57 57 PRO CB C 32.466 0.30 1 361 58 58 PHE H H 8.371 0.02 1 362 58 58 PHE HA H 4.918 0.02 1 363 58 58 PHE HB2 H 3.155 0.02 1 364 58 58 PHE HB3 H 3.155 0.02 1 365 58 58 PHE C C 175.743 0.30 1 366 58 58 PHE CA C 57.771 0.30 1 367 58 58 PHE CB C 39.419 0.30 1 368 58 58 PHE N N 116.938 0.30 1 369 59 59 GLY H H 7.539 0.02 1 370 59 59 GLY HA2 H 4.603 0.02 1 371 59 59 GLY HA3 H 4.603 0.02 1 372 59 59 GLY C C 172.816 0.30 1 373 59 59 GLY CA C 44.443 0.30 1 374 59 59 GLY N N 109.438 0.30 1 375 60 60 ASP H H 8.040 0.02 1 376 60 60 ASP HA H 5.495 0.02 1 377 60 60 ASP HB2 H 3.004 0.02 1 378 60 60 ASP HB3 H 3.004 0.02 1 379 60 60 ASP CA C 50.306 0.30 1 380 60 60 ASP N N 118.430 0.30 1 381 61 61 PRO C C 174.872 0.30 1 382 61 61 PRO CA C 63.244 0.30 1 383 62 62 THR H H 8.071 0.02 1 384 62 62 THR HA H 4.325 0.02 1 385 62 62 THR HB H 4.204 0.02 1 386 62 62 THR C C 176.415 0.30 1 387 62 62 THR CA C 68.467 0.30 1 388 62 62 THR CB C 63.424 0.30 1 389 62 62 THR N N 116.869 0.30 1 390 63 63 LYS H H 8.571 0.02 1 391 63 63 LYS HA H 3.892 0.02 1 392 63 63 LYS HB2 H 1.910 0.02 1 393 63 63 LYS HB3 H 1.910 0.02 1 394 63 63 LYS HG2 H 1.229 0.02 1 395 63 63 LYS HG3 H 1.229 0.02 1 396 63 63 LYS C C 178.162 0.30 1 397 63 63 LYS CA C 60.260 0.30 1 398 63 63 LYS CB C 32.298 0.30 1 399 63 63 LYS N N 122.036 0.30 1 400 64 64 PHE H H 9.138 0.02 1 401 64 64 PHE HA H 4.845 0.02 1 402 64 64 PHE HB2 H 2.954 0.02 1 403 64 64 PHE HB3 H 2.954 0.02 1 404 64 64 PHE C C 176.591 0.30 1 405 64 64 PHE CA C 63.202 0.30 1 406 64 64 PHE CB C 39.761 0.30 1 407 64 64 PHE N N 120.253 0.30 1 408 65 65 ALA H H 8.953 0.02 1 409 65 65 ALA HA H 3.636 0.02 1 410 65 65 ALA HB H 1.359 0.02 1 411 65 65 ALA C C 179.383 0.30 1 412 65 65 ALA CA C 55.133 0.30 1 413 65 65 ALA CB C 18.685 0.30 1 414 65 65 ALA N N 117.893 0.30 1 415 66 66 THR H H 7.512 0.02 1 416 66 66 THR HA H 3.934 0.02 1 417 66 66 THR HB H 4.144 0.02 1 418 66 66 THR HG1 H 1.200 0.02 1 419 66 66 THR HG2 H 1.365 0.02 1 420 66 66 THR C C 175.990 0.30 1 421 66 66 THR CA C 67.295 0.30 1 422 66 66 THR CB C 68.571 0.30 1 423 66 66 THR N N 113.604 0.30 1 424 67 67 PHE H H 7.294 0.02 1 425 67 67 PHE HA H 4.482 0.02 1 426 67 67 PHE HB2 H 2.924 0.02 1 427 67 67 PHE HB3 H 2.924 0.02 1 428 67 67 PHE C C 179.281 0.30 1 429 67 67 PHE CA C 59.727 0.30 1 430 67 67 PHE CB C 38.273 0.30 1 431 67 67 PHE N N 120.178 0.30 1 432 68 68 VAL H H 8.256 0.02 1 433 68 68 VAL HA H 4.857 0.02 1 434 68 68 VAL HB H 1.879 0.02 1 435 68 68 VAL HG1 H 0.633 0.02 1 436 68 68 VAL HG2 H 0.633 0.02 1 437 68 68 VAL C C 177.415 0.30 1 438 68 68 VAL CA C 66.429 0.30 1 439 68 68 VAL CB C 32.419 0.30 1 440 68 68 VAL N N 119.672 0.30 1 441 69 69 PHE H H 8.662 0.02 1 442 69 69 PHE HA H 4.830 0.02 1 443 69 69 PHE HB2 H 3.196 0.02 2 444 69 69 PHE HB3 H 2.878 0.02 2 445 69 69 PHE C C 176.432 0.30 1 446 69 69 PHE CA C 62.034 0.30 1 447 69 69 PHE CB C 39.325 0.30 1 448 69 69 PHE N N 123.009 0.30 1 449 70 70 ASN H H 7.317 0.02 1 450 70 70 ASN C C 176.252 0.30 1 451 70 70 ASN CA C 56.137 0.30 1 452 70 70 ASN CB C 38.690 0.30 1 453 70 70 ASN N N 112.202 0.30 1 454 71 71 VAL H H 7.360 0.02 1 455 71 71 VAL HA H 3.741 0.02 1 456 71 71 VAL HB H 1.970 0.02 1 457 71 71 VAL HG1 H 0.291 0.02 1 458 71 71 VAL HG2 H 0.775 0.02 1 459 71 71 VAL C C 178.279 0.30 1 460 71 71 VAL CA C 64.505 0.30 1 461 71 71 VAL CB C 38.722 0.30 1 462 71 71 VAL N N 116.988 0.30 1 463 72 72 PHE H H 8.066 0.02 1 464 72 72 PHE HA H 4.845 0.02 1 465 72 72 PHE C C 177.726 0.30 1 466 72 72 PHE CA C 60.402 0.30 1 467 72 72 PHE CB C 40.632 0.30 1 468 72 72 PHE N N 120.029 0.30 1 469 73 73 ASP H H 7.732 0.02 1 470 73 73 ASP HA H 4.508 0.02 1 471 73 73 ASP HB2 H 2.776 0.02 1 472 73 73 ASP HB3 H 2.776 0.02 1 473 73 73 ASP C C 176.428 0.30 1 474 73 73 ASP CA C 52.809 0.30 1 475 73 73 ASP CB C 38.826 0.30 1 476 73 73 ASP N N 116.577 0.30 1 477 74 74 GLU H H 7.750 0.02 1 478 74 74 GLU HA H 4.089 0.02 1 479 74 74 GLU HB2 H 2.182 0.02 1 480 74 74 GLU HB3 H 2.182 0.02 1 481 74 74 GLU C C 177.278 0.30 1 482 74 74 GLU CA C 59.839 0.30 1 483 74 74 GLU CB C 31.208 0.30 1 484 74 74 GLU N N 128.896 0.30 1 485 75 75 ASN H H 7.893 0.02 1 486 75 75 ASN HA H 4.806 0.02 1 487 75 75 ASN HB2 H 2.965 0.02 1 488 75 75 ASN HB3 H 2.965 0.02 1 489 75 75 ASN C C 174.868 0.30 1 490 75 75 ASN CA C 52.062 0.30 1 491 75 75 ASN CB C 37.114 0.30 1 492 75 75 ASN N N 111.919 0.30 1 493 76 76 LYS H H 7.774 0.02 1 494 76 76 LYS HA H 4.140 0.02 1 495 76 76 LYS HB2 H 1.992 0.02 1 496 76 76 LYS HB3 H 1.992 0.02 1 497 76 76 LYS HD2 H 1.558 0.02 1 498 76 76 LYS HD3 H 1.558 0.02 1 499 76 76 LYS HG2 H 1.428 0.02 1 500 76 76 LYS HG3 H 1.428 0.02 1 501 76 76 LYS C C 179.027 0.30 1 502 76 76 LYS CA C 56.472 0.30 1 503 76 76 LYS CB C 29.039 0.30 1 504 76 76 LYS N N 115.083 0.30 1 505 77 77 ASP H H 8.321 0.02 1 506 77 77 ASP HA H 4.812 0.02 1 507 77 77 ASP HB2 H 2.457 0.02 1 508 77 77 ASP HB3 H 2.457 0.02 1 509 77 77 ASP C C 177.847 0.30 1 510 77 77 ASP CA C 53.218 0.30 1 511 77 77 ASP CB C 40.363 0.30 1 512 77 77 ASP N N 117.938 0.30 1 513 78 78 GLY H H 10.506 0.02 1 514 78 78 GLY HA2 H 3.732 0.02 1 515 78 78 GLY HA3 H 3.732 0.02 1 516 78 78 GLY CA C 46.114 0.30 1 517 78 78 GLY N N 112.484 0.30 1 518 79 79 ARG H H 8.138 0.02 1 519 79 79 ARG HA H 5.313 0.02 1 520 79 79 ARG HB2 H 1.818 0.02 1 521 79 79 ARG HB3 H 1.818 0.02 1 522 79 79 ARG HG2 H 1.575 0.02 1 523 79 79 ARG HG3 H 1.575 0.02 1 524 79 79 ARG C C 174.896 0.30 1 525 79 79 ARG CA C 53.505 0.30 1 526 79 79 ARG CB C 34.206 0.30 1 527 79 79 ARG N N 118.514 0.30 1 528 80 80 ILE H H 9.819 0.02 1 529 80 80 ILE HA H 4.921 0.02 1 530 80 80 ILE HB H 1.834 0.02 1 531 80 80 ILE CA C 60.282 0.30 1 532 80 80 ILE CB C 39.319 0.30 1 533 80 80 ILE N N 125.830 0.30 1 534 81 81 GLU H H 8.679 0.02 1 535 81 81 GLU HA H 5.027 0.02 1 536 81 81 GLU HB2 H 2.470 0.02 1 537 81 81 GLU HB3 H 2.470 0.02 1 538 81 81 GLU C C 174.784 0.30 1 539 81 81 GLU CA C 54.682 0.30 1 540 81 81 GLU CB C 36.822 0.30 1 541 81 81 GLU N N 126.318 0.30 1 542 82 82 PHE H H 9.895 0.02 1 543 82 82 PHE HA H 3.302 0.02 1 544 82 82 PHE C C 176.773 0.30 1 545 82 82 PHE CA C 62.840 0.30 1 546 82 82 PHE CB C 38.553 0.30 1 547 82 82 PHE N N 124.021 0.30 1 548 83 83 SER H H 9.311 0.02 1 549 83 83 SER HA H 4.898 0.02 1 550 83 83 SER HB2 H 3.962 0.02 1 551 83 83 SER HB3 H 3.962 0.02 1 552 83 83 SER C C 176.588 0.30 1 553 83 83 SER CA C 61.816 0.30 1 554 83 83 SER N N 112.147 0.30 1 555 84 84 GLU H H 6.646 0.02 1 556 84 84 GLU HA H 4.119 0.02 1 557 84 84 GLU HB2 H 2.348 0.02 1 558 84 84 GLU HB3 H 2.348 0.02 1 559 84 84 GLU HG2 H 2.530 0.02 1 560 84 84 GLU HG3 H 2.530 0.02 1 561 84 84 GLU C C 178.937 0.30 1 562 84 84 GLU CA C 58.338 0.30 1 563 84 84 GLU CB C 30.669 0.30 1 564 84 84 GLU N N 120.277 0.30 1 565 85 85 PHE H H 8.266 0.02 1 566 85 85 PHE HA H 4.195 0.02 1 567 85 85 PHE HB2 H 3.045 0.02 1 568 85 85 PHE HB3 H 3.045 0.02 1 569 85 85 PHE C C 175.707 0.30 1 570 85 85 PHE CA C 61.745 0.30 1 571 85 85 PHE CB C 40.636 0.30 1 572 85 85 PHE N N 121.779 0.30 1 573 86 86 ILE H H 8.549 0.02 1 574 86 86 ILE HA H 3.566 0.02 1 575 86 86 ILE HB H 2.320 0.02 1 576 86 86 ILE C C 176.950 0.30 1 577 86 86 ILE CA C 61.170 0.30 1 578 86 86 ILE CB C 37.693 0.30 1 579 86 86 ILE N N 116.542 0.30 1 580 87 87 GLN H H 7.276 0.02 1 581 87 87 GLN HA H 3.983 0.02 1 582 87 87 GLN HB2 H 2.182 0.02 1 583 87 87 GLN HB3 H 2.182 0.02 1 584 87 87 GLN C C 177.519 0.30 1 585 87 87 GLN CA C 59.563 0.30 1 586 87 87 GLN CB C 29.215 0.30 1 587 87 87 GLN N N 121.725 0.30 1 588 88 88 ALA H H 7.164 0.02 1 589 88 88 ALA HA H 3.620 0.02 1 590 88 88 ALA HB H 0.472 0.02 1 591 88 88 ALA C C 180.229 0.30 1 592 88 88 ALA CA C 55.009 0.30 1 593 88 88 ALA CB C 16.323 0.30 1 594 88 88 ALA N N 121.382 0.30 1 595 89 89 LEU H H 7.680 0.02 1 596 89 89 LEU HA H 3.620 0.02 1 597 89 89 LEU HB2 H 1.108 0.02 1 598 89 89 LEU HB3 H 1.108 0.02 1 599 89 89 LEU C C 179.011 0.30 1 600 89 89 LEU CA C 57.478 0.30 1 601 89 89 LEU CB C 41.799 0.30 1 602 89 89 LEU N N 118.705 0.30 1 603 90 90 SER H H 7.964 0.02 1 604 90 90 SER HA H 3.659 0.02 1 605 90 90 SER C C 176.156 0.30 1 606 90 90 SER CA C 61.769 0.30 1 607 90 90 SER CB C 63.231 0.30 1 608 90 90 SER N N 113.814 0.30 1 609 91 91 VAL H H 7.563 0.02 1 610 91 91 VAL HA H 3.695 0.02 1 611 91 91 VAL HB H 1.789 0.02 1 612 91 91 VAL HG1 H 1.032 0.02 1 613 91 91 VAL HG2 H 1.032 0.02 1 614 91 91 VAL C C 177.554 0.30 1 615 91 91 VAL CA C 66.699 0.30 1 616 91 91 VAL CB C 32.108 0.30 1 617 91 91 VAL N N 117.312 0.30 1 618 92 92 THR H H 7.268 0.02 1 619 92 92 THR HA H 3.574 0.02 1 620 92 92 THR HB H 3.695 0.02 1 621 92 92 THR HG2 H 0.744 0.02 1 622 92 92 THR C C 176.167 0.30 1 623 92 92 THR CA C 65.147 0.30 1 624 92 92 THR CB C 69.559 0.30 1 625 92 92 THR N N 106.285 0.30 1 626 93 93 SER H H 7.846 0.02 1 627 93 93 SER HA H 4.020 0.02 1 628 93 93 SER HB2 H 3.689 0.02 1 629 93 93 SER HB3 H 3.689 0.02 1 630 93 93 SER C C 176.618 0.30 1 631 93 93 SER CA C 60.272 0.30 1 632 93 93 SER CB C 65.190 0.30 1 633 93 93 SER N N 113.789 0.30 1 634 94 94 ARG H H 7.853 0.02 1 635 94 94 ARG HA H 4.210 0.02 1 636 94 94 ARG HB2 H 1.940 0.02 1 637 94 94 ARG HB3 H 1.940 0.02 1 638 94 94 ARG HG2 H 1.546 0.02 1 639 94 94 ARG HG3 H 1.546 0.02 1 640 94 94 ARG C C 174.798 0.30 1 641 94 94 ARG CA C 56.321 0.30 1 642 94 94 ARG CB C 33.769 0.30 1 643 94 94 ARG N N 120.861 0.30 1 644 95 95 GLY H H 7.468 0.02 1 645 95 95 GLY HA2 H 4.013 0.02 1 646 95 95 GLY HA3 H 4.013 0.02 1 647 95 95 GLY C C 174.182 0.30 1 648 95 95 GLY CA C 45.912 0.30 1 649 95 95 GLY N N 106.605 0.30 1 650 96 96 THR H H 8.706 0.02 1 651 96 96 THR HA H 4.346 0.02 1 652 96 96 THR HB H 4.024 0.02 1 653 96 96 THR HG2 H 1.492 0.02 1 654 96 96 THR C C 175.140 0.30 1 655 96 96 THR CA C 61.564 0.30 1 656 96 96 THR CB C 71.030 0.30 1 657 96 96 THR N N 111.004 0.30 1 658 97 97 LEU H H 8.804 0.02 1 659 97 97 LEU HA H 4.876 0.02 1 660 97 97 LEU C C 178.606 0.30 1 661 97 97 LEU CA C 59.228 0.30 1 662 97 97 LEU CB C 41.230 0.30 1 663 97 97 LEU N N 122.172 0.30 1 664 98 98 ASP H H 8.212 0.02 1 665 98 98 ASP HA H 4.470 0.02 1 666 98 98 ASP HB2 H 2.698 0.02 2 667 98 98 ASP HB3 H 2.563 0.02 2 668 98 98 ASP C C 178.610 0.30 1 669 98 98 ASP CA C 58.216 0.30 1 670 98 98 ASP CB C 41.775 0.30 1 671 98 98 ASP N N 115.652 0.30 1 672 99 99 GLU H H 7.731 0.02 1 673 99 99 GLU HA H 4.119 0.02 1 674 99 99 GLU HB2 H 2.076 0.02 1 675 99 99 GLU HB3 H 2.076 0.02 1 676 99 99 GLU C C 180.092 0.30 1 677 99 99 GLU CA C 59.934 0.30 1 678 99 99 GLU CB C 30.075 0.30 1 679 99 99 GLU N N 118.873 0.30 1 680 100 100 LYS H H 8.849 0.02 1 681 100 100 LYS HA H 4.028 0.02 1 682 100 100 LYS HB2 H 2.061 0.02 1 683 100 100 LYS HB3 H 2.061 0.02 1 684 100 100 LYS HG2 H 1.562 0.02 1 685 100 100 LYS HG3 H 1.562 0.02 1 686 100 100 LYS C C 179.625 0.30 1 687 100 100 LYS CA C 61.123 0.30 1 688 100 100 LYS CB C 33.582 0.30 1 689 100 100 LYS N N 119.994 0.30 1 690 101 101 LEU H H 8.885 0.02 1 691 101 101 LEU HA H 4.422 0.02 1 692 101 101 LEU HB2 H 2.076 0.02 1 693 101 101 LEU HB3 H 2.076 0.02 1 694 101 101 LEU HD1 H 1.017 0.02 1 695 101 101 LEU HD2 H 1.017 0.02 1 696 101 101 LEU HG H 1.637 0.02 1 697 101 101 LEU C C 179.514 0.30 1 698 101 101 LEU CA C 58.775 0.30 1 699 101 101 LEU CB C 42.510 0.30 1 700 101 101 LEU N N 119.824 0.30 1 701 102 102 ARG H H 8.008 0.02 1 702 102 102 ARG HA H 4.872 0.02 1 703 102 102 ARG HB2 H 2.046 0.02 1 704 102 102 ARG HB3 H 2.046 0.02 1 705 102 102 ARG HG2 H 1.727 0.02 1 706 102 102 ARG HG3 H 1.727 0.02 1 707 102 102 ARG C C 178.908 0.30 1 708 102 102 ARG CA C 60.460 0.30 1 709 102 102 ARG CB C 30.129 0.30 1 710 102 102 ARG N N 118.747 0.30 1 711 103 103 TRP H H 7.907 0.02 1 712 103 103 TRP HA H 4.089 0.02 1 713 103 103 TRP HB2 H 3.332 0.02 1 714 103 103 TRP HB3 H 3.332 0.02 1 715 103 103 TRP C C 177.731 0.30 1 716 103 103 TRP CA C 62.525 0.30 1 717 103 103 TRP CB C 30.073 0.30 1 718 103 103 TRP N N 121.617 0.30 1 719 104 104 ALA H H 8.897 0.02 1 720 104 104 ALA HA H 4.013 0.02 1 721 104 104 ALA HB H 1.683 0.02 1 722 104 104 ALA C C 178.496 0.30 1 723 104 104 ALA CA C 55.316 0.30 1 724 104 104 ALA CB C 18.915 0.30 1 725 104 104 ALA N N 119.563 0.30 1 726 105 105 PHE H H 8.562 0.02 1 727 105 105 PHE HA H 4.280 0.02 1 728 105 105 PHE HB2 H 2.928 0.02 1 729 105 105 PHE HB3 H 2.928 0.02 1 730 105 105 PHE C C 175.849 0.30 1 731 105 105 PHE CA C 62.794 0.30 1 732 105 105 PHE CB C 39.721 0.30 1 733 105 105 PHE N N 118.362 0.30 1 734 106 106 LYS H H 7.115 0.02 1 735 106 106 LYS HA H 3.937 0.02 1 736 106 106 LYS HB2 H 1.652 0.02 1 737 106 106 LYS HB3 H 1.652 0.02 1 738 106 106 LYS C C 177.890 0.30 1 739 106 106 LYS CA C 58.891 0.30 1 740 106 106 LYS CB C 32.414 0.30 1 741 106 106 LYS N N 114.296 0.30 1 742 107 107 LEU H H 7.209 0.02 1 743 107 107 LEU HA H 3.726 0.02 1 744 107 107 LEU HB2 H 1.077 0.02 1 745 107 107 LEU HB3 H 1.077 0.02 1 746 107 107 LEU C C 176.260 0.30 1 747 107 107 LEU CA C 57.412 0.30 1 748 107 107 LEU CB C 41.179 0.30 1 749 107 107 LEU N N 118.723 0.30 1 750 108 108 TYR H H 7.345 0.02 1 751 108 108 TYR HA H 4.745 0.02 1 752 108 108 TYR HB2 H 2.897 0.02 1 753 108 108 TYR HB3 H 2.897 0.02 1 754 108 108 TYR C C 175.397 0.30 1 755 108 108 TYR CA C 60.221 0.30 1 756 108 108 TYR CB C 40.014 0.30 1 757 108 108 TYR N N 113.053 0.30 1 758 109 109 ASP H H 7.526 0.02 1 759 109 109 ASP HA H 4.489 0.02 1 760 109 109 ASP HB2 H 2.597 0.02 1 761 109 109 ASP HB3 H 2.597 0.02 1 762 109 109 ASP C C 177.761 0.30 1 763 109 109 ASP CA C 51.844 0.30 1 764 109 109 ASP CB C 38.291 0.30 1 765 109 109 ASP N N 114.472 0.30 1 766 110 110 LEU H H 7.473 0.02 1 767 110 110 LEU HA H 4.543 0.02 1 768 110 110 LEU HB2 H 1.713 0.02 1 769 110 110 LEU HB3 H 1.713 0.02 1 770 110 110 LEU HD1 H 1.032 0.02 1 771 110 110 LEU HD2 H 1.032 0.02 1 772 110 110 LEU HG H 1.531 0.02 1 773 110 110 LEU C C 179.257 0.30 1 774 110 110 LEU CA C 58.187 0.30 1 775 110 110 LEU CB C 43.115 0.30 1 776 110 110 LEU N N 124.712 0.30 1 777 111 111 ASP H H 8.166 0.02 1 778 111 111 ASP HA H 4.560 0.02 1 779 111 111 ASP HB2 H 2.668 0.02 1 780 111 111 ASP HB3 H 2.668 0.02 1 781 111 111 ASP C C 176.708 0.30 1 782 111 111 ASP CA C 52.948 0.30 1 783 111 111 ASP CB C 40.038 0.30 1 784 111 111 ASP N N 114.266 0.30 1 785 112 112 ASN H H 8.098 0.02 1 786 112 112 ASN HA H 4.477 0.02 1 787 112 112 ASN HB2 H 2.684 0.02 1 788 112 112 ASN HB3 H 2.684 0.02 1 789 112 112 ASN C C 174.896 0.30 1 790 112 112 ASN CA C 54.759 0.30 1 791 112 112 ASN CB C 38.510 0.30 1 792 112 112 ASN N N 116.986 0.30 1 793 113 113 ASP H H 8.654 0.02 1 794 113 113 ASP HA H 4.679 0.02 1 795 113 113 ASP HB2 H 3.196 0.02 2 796 113 113 ASP HB3 H 2.606 0.02 2 797 113 113 ASP C C 177.468 0.30 1 798 113 113 ASP CA C 53.786 0.30 1 799 113 113 ASP CB C 41.505 0.30 1 800 113 113 ASP N N 119.508 0.30 1 801 114 114 GLY H H 10.650 0.02 1 802 114 114 GLY HA2 H 3.487 0.02 1 803 114 114 GLY HA3 H 3.487 0.02 1 804 114 114 GLY C C 172.463 0.30 1 805 114 114 GLY CA C 45.313 0.30 1 806 114 114 GLY N N 113.163 0.30 1 807 115 115 TYR H H 8.232 0.02 1 808 115 115 TYR HA H 5.480 0.02 1 809 115 115 TYR HB2 H 3.080 0.02 1 810 115 115 TYR HB3 H 3.080 0.02 1 811 115 115 TYR C C 175.574 0.30 1 812 115 115 TYR CA C 55.849 0.30 1 813 115 115 TYR CB C 42.632 0.30 1 814 115 115 TYR N N 117.230 0.30 1 815 116 116 ILE H H 9.597 0.02 1 816 116 116 ILE HA H 4.891 0.02 1 817 116 116 ILE HB H 1.758 0.02 1 818 116 116 ILE HD1 H 0.124 0.02 1 819 116 116 ILE HG12 H 1.047 0.02 1 820 116 116 ILE HG13 H 1.047 0.02 1 821 116 116 ILE HG2 H 1.047 0.02 1 822 116 116 ILE C C 177.670 0.30 1 823 116 116 ILE CA C 60.874 0.30 1 824 116 116 ILE CB C 40.163 0.30 1 825 116 116 ILE N N 124.891 0.30 1 826 117 117 THR H H 9.471 0.02 1 827 117 117 THR HA H 4.951 0.02 1 828 117 117 THR HB H 4.043 0.02 1 829 117 117 THR HG2 H 1.456 0.02 1 830 117 117 THR C C 179.017 0.30 1 831 117 117 THR CA C 61.040 0.30 1 832 117 117 THR CB C 71.288 0.30 1 833 117 117 THR N N 119.590 0.30 1 834 118 118 ARG H H 8.174 0.02 1 835 118 118 ARG HA H 4.134 0.02 1 836 118 118 ARG HB2 H 1.531 0.02 1 837 118 118 ARG HB3 H 1.531 0.02 1 838 118 118 ARG HG2 H 1.183 0.02 1 839 118 118 ARG HG3 H 1.183 0.02 1 840 118 118 ARG C C 177.638 0.30 1 841 118 118 ARG CA C 60.838 0.30 1 842 118 118 ARG N N 121.252 0.30 1 843 119 119 ASN H H 8.284 0.02 1 844 119 119 ASN HA H 4.891 0.02 1 845 119 119 ASN HB2 H 2.818 0.02 1 846 119 119 ASN HB3 H 2.818 0.02 1 847 119 119 ASN HD21 H 1.467 0.02 1 848 119 119 ASN HD22 H 1.467 0.02 1 849 119 119 ASN C C 177.778 0.30 1 850 119 119 ASN CA C 56.456 0.30 1 851 119 119 ASN CB C 37.958 0.30 1 852 119 119 ASN N N 114.346 0.30 1 853 120 120 GLU H H 7.470 0.02 1 854 120 120 GLU HA H 4.119 0.02 1 855 120 120 GLU HB2 H 2.258 0.02 1 856 120 120 GLU HB3 H 2.258 0.02 1 857 120 120 GLU C C 177.485 0.30 1 858 120 120 GLU CA C 59.689 0.30 1 859 120 120 GLU CB C 29.353 0.30 1 860 120 120 GLU N N 121.092 0.30 1 861 121 121 MET H H 8.060 0.02 1 862 121 121 MET HA H 4.295 0.02 1 863 121 121 MET HB2 H 2.335 0.02 1 864 121 121 MET HB3 H 2.335 0.02 1 865 121 121 MET C C 177.971 0.30 1 866 121 121 MET CA C 59.396 0.30 1 867 121 121 MET CB C 32.987 0.30 1 868 121 121 MET N N 115.688 0.30 1 869 122 122 LEU H H 8.728 0.02 1 870 122 122 LEU HA H 3.998 0.02 1 871 122 122 LEU HB2 H 1.646 0.02 1 872 122 122 LEU HB3 H 1.646 0.02 1 873 122 122 LEU HD1 H 0.952 0.02 1 874 122 122 LEU HD2 H 0.952 0.02 1 875 122 122 LEU C C 177.666 0.30 1 876 122 122 LEU CA C 58.809 0.30 1 877 122 122 LEU CB C 69.100 0.30 1 878 122 122 LEU N N 118.614 0.30 1 879 123 123 ASP H H 7.609 0.02 1 880 123 123 ASP HA H 4.633 0.02 1 881 123 123 ASP HB2 H 2.939 0.02 2 882 123 123 ASP HB3 H 2.651 0.02 2 883 123 123 ASP C C 179.612 0.30 1 884 123 123 ASP CA C 58.237 0.30 1 885 123 123 ASP CB C 40.903 0.30 1 886 123 123 ASP N N 119.658 0.30 1 887 124 124 ILE H H 7.5480 0.02 1 888 124 124 ILE HA H 4.860 0.02 1 889 124 124 ILE HB H 1.743 0.02 1 890 124 124 ILE HG12 H 0.971 0.02 1 891 124 124 ILE HG13 H 0.971 0.02 1 892 124 124 ILE HG2 H 0.971 0.02 1 893 124 124 ILE CA C 62.710 0.30 1 894 124 124 ILE N N 118.136 0.30 1 895 125 125 VAL H H 9.060 0.02 1 896 125 125 VAL HA H 2.893 0.02 1 897 125 125 VAL HB H 2.061 0.02 1 898 125 125 VAL HG1 H 1.183 0.02 1 899 125 125 VAL HG2 H 1.183 0.02 1 900 125 125 VAL C C 178.248 0.30 1 901 125 125 VAL CA C 67.784 0.30 1 902 125 125 VAL CB C 31.553 0.30 1 903 125 125 VAL N N 120.583 0.30 1 904 126 126 ASP H H 9.161 0.02 1 905 126 126 ASP HA H 4.361 0.02 1 906 126 126 ASP HB2 H 2.939 0.02 1 907 126 126 ASP HB3 H 2.939 0.02 1 908 126 126 ASP C C 177.937 0.30 1 909 126 126 ASP CA C 58.505 0.30 1 910 126 126 ASP CB C 43.202 0.30 1 911 126 126 ASP N N 119.914 0.30 1 912 127 127 ALA H H 7.811 0.02 1 913 127 127 ALA HA H 4.164 0.02 1 914 127 127 ALA HB H 1.501 0.02 1 915 127 127 ALA C C 181.044 0.30 1 916 127 127 ALA CA C 55.825 0.30 1 917 127 127 ALA CB C 18.613 0.30 1 918 127 127 ALA N N 120.271 0.30 1 919 128 128 ILE H H 8.985 0.02 1 920 128 128 ILE HA H 3.831 0.02 1 921 128 128 ILE HB H 2.046 0.02 1 922 128 128 ILE C C 177.648 0.30 1 923 128 128 ILE CA C 66.666 0.30 1 924 128 128 ILE CB C 38.421 0.30 1 925 128 128 ILE N N 122.668 0.30 1 926 129 129 TYR H H 9.180 0.02 1 927 129 129 TYR HA H 4.376 0.02 1 928 129 129 TYR HB2 H 3.544 0.02 1 929 129 129 TYR HB3 H 3.544 0.02 1 930 129 129 TYR C C 180.189 0.30 1 931 129 129 TYR CA C 61.443 0.30 1 932 129 129 TYR CB C 36.824 0.30 1 933 129 129 TYR N N 122.299 0.30 1 934 130 130 GLN H H 8.566 0.02 1 935 130 130 GLN HA H 4.239 0.02 1 936 130 130 GLN HB2 H 1.977 0.02 1 937 130 130 GLN HB3 H 1.977 0.02 1 938 130 130 GLN HG2 H 2.324 0.02 1 939 130 130 GLN HG3 H 2.324 0.02 1 940 130 130 GLN C C 178.363 0.30 1 941 130 130 GLN CA C 59.337 0.30 1 942 130 130 GLN CB C 29.503 0.30 1 943 130 130 GLN N N 118.161 0.30 1 944 131 131 MET H H 7.754 0.02 1 945 131 131 MET HA H 4.195 0.02 1 946 131 131 MET HB2 H 1.910 0.02 1 947 131 131 MET HB3 H 1.910 0.02 1 948 131 131 MET HG2 H 1.471 0.02 1 949 131 131 MET HG3 H 1.471 0.02 1 950 131 131 MET C C 176.411 0.30 1 951 131 131 MET CA C 59.149 0.30 1 952 131 131 MET CB C 34.107 0.30 1 953 131 131 MET N N 121.003 0.30 1 954 132 132 VAL H H 8.311 0.02 1 955 132 132 VAL HA H 4.069 0.02 1 956 132 132 VAL HB H 2.251 0.02 1 957 132 132 VAL HG1 H 0.989 0.02 1 958 132 132 VAL HG2 H 0.989 0.02 1 959 132 132 VAL C C 178.149 0.30 1 960 132 132 VAL CA C 64.072 0.30 1 961 132 132 VAL CB C 32.707 0.30 1 962 132 132 VAL N N 113.323 0.30 1 963 133 133 GLY H H 7.868 0.02 1 964 133 133 GLY HA2 H 3.978 0.02 1 965 133 133 GLY HA3 H 3.978 0.02 1 966 133 133 GLY C C 173.971 0.30 1 967 133 133 GLY CA C 46.509 0.30 1 968 133 133 GLY N N 108.085 0.30 1 969 134 134 ASN H H 8.561 0.02 1 970 134 134 ASN HA H 4.827 0.02 1 971 134 134 ASN HB2 H 2.972 0.02 1 972 134 134 ASN HB3 H 2.972 0.02 1 973 134 134 ASN C C 176.329 0.30 1 974 134 134 ASN CA C 53.524 0.30 1 975 134 134 ASN CB C 38.554 0.30 1 976 134 134 ASN N N 118.889 0.30 1 977 135 135 THR H H 8.091 0.02 1 978 135 135 THR HA H 4.561 0.02 1 979 135 135 THR C C 174.653 0.30 1 980 135 135 THR CA C 63.430 0.30 1 981 135 135 THR CB C 69.932 0.30 1 982 135 135 THR N N 110.758 0.30 1 983 136 136 VAL H H 7.379 0.02 1 984 136 136 VAL HA H 4.316 0.02 1 985 136 136 VAL HB H 2.046 0.02 1 986 136 136 VAL HG1 H 0.941 0.02 1 987 136 136 VAL HG2 H 0.941 0.02 1 988 136 136 VAL C C 175.075 0.30 1 989 136 136 VAL CA C 61.441 0.30 1 990 136 136 VAL CB C 33.945 0.30 1 991 136 136 VAL N N 118.079 0.30 1 992 137 137 GLU H H 8.358 0.02 1 993 137 137 GLU HA H 4.391 0.02 1 994 137 137 GLU HG2 H 1.955 0.02 1 995 137 137 GLU HG3 H 2.273 0.02 2 996 137 137 GLU C C 175.955 0.30 1 997 137 137 GLU CA C 56.040 0.30 1 998 137 137 GLU CB C 30.068 0.30 1 999 137 137 GLU N N 123.557 0.30 1 1000 138 138 LEU H H 8.278 0.02 1 1001 138 138 LEU HA H 4.679 0.02 1 1002 138 138 LEU HB2 H 1.637 0.02 1 1003 138 138 LEU HB3 H 1.637 0.02 1 1004 138 138 LEU HD1 H 0.790 0.02 1 1005 138 138 LEU HD2 H 0.790 0.02 1 1006 138 138 LEU CA C 52.599 0.30 1 1007 138 138 LEU N N 126.130 0.30 1 1008 139 139 PRO C C 177.451 0.30 1 1009 139 139 PRO CA C 62.890 0.30 1 1010 139 139 PRO CB C 32.280 0.30 1 1011 140 140 GLU H H 8.816 0.02 1 1012 140 140 GLU HA H 4.058 0.02 1 1013 140 140 GLU HB2 H 2.137 0.02 1 1014 140 140 GLU HB3 H 2.137 0.02 1 1015 140 140 GLU C C 178.147 0.30 1 1016 140 140 GLU CA C 59.731 0.30 1 1017 140 140 GLU CB C 29.778 0.30 1 1018 140 140 GLU N N 124.612 0.30 1 1019 141 141 GLU H H 9.105 0.02 1 1020 141 141 GLU HA H 4.172 0.02 1 1021 141 141 GLU HB2 H 1.400 0.02 1 1022 141 141 GLU HB3 H 1.400 0.02 1 1023 141 141 GLU HG2 H 2.134 0.02 2 1024 141 141 GLU HG3 H 2.014 0.02 2 1025 141 141 GLU C C 176.285 0.30 1 1026 141 141 GLU CA C 58.409 0.30 1 1027 141 141 GLU CB C 29.414 0.30 1 1028 141 141 GLU N N 114.302 0.30 1 1029 142 142 GLU H H 7.966 0.02 1 1030 142 142 GLU HA H 4.245 0.02 1 1031 142 142 GLU HB2 H 1.843 0.02 2 1032 142 142 GLU HB3 H 1.879 0.02 2 1033 142 142 GLU HG2 H 2.190 0.02 2 1034 142 142 GLU HG3 H 2.229 0.02 2 1035 142 142 GLU C C 175.986 0.30 1 1036 142 142 GLU CA C 54.991 0.30 1 1037 142 142 GLU CB C 31.549 0.30 1 1038 142 142 GLU N N 115.434 0.30 1 1039 143 143 ASN H H 7.532 0.02 1 1040 143 143 ASN HA H 4.543 0.02 1 1041 143 143 ASN C C 174.786 0.30 1 1042 143 143 ASN CA C 54.847 0.30 1 1043 143 143 ASN CB C 37.421 0.30 1 1044 143 143 ASN N N 118.395 0.30 1 1045 144 144 THR H H 7.358 0.02 1 1046 144 144 THR HA H 5.009 0.02 1 1047 144 144 THR HB H 4.189 0.02 1 1048 144 144 THR CA C 58.533 0.30 1 1049 144 144 THR N N 108.691 0.30 1 1050 145 145 PRO C C 177.264 0.30 1 1051 145 145 PRO CA C 65.605 0.30 1 1052 145 145 PRO CB C 32.110 0.30 1 1053 146 146 GLU H H 8.766 0.02 1 1054 146 146 GLU HA H 3.809 0.02 1 1055 146 146 GLU HB2 H 1.557 0.02 1 1056 146 146 GLU HB3 H 1.557 0.02 1 1057 146 146 GLU HG2 H 1.947 0.02 1 1058 146 146 GLU HG3 H 1.947 0.02 1 1059 146 146 GLU C C 178.149 0.30 1 1060 146 146 GLU CA C 61.013 0.30 1 1061 146 146 GLU CB C 29.226 0.30 1 1062 146 146 GLU N N 116.112 0.30 1 1063 147 147 LYS H H 7.589 0.02 1 1064 147 147 LYS HA H 4.028 0.02 1 1065 147 147 LYS HB2 H 2.122 0.02 1 1066 147 147 LYS HB3 H 2.122 0.02 1 1067 147 147 LYS C C 179.973 0.30 1 1068 147 147 LYS CA C 59.974 0.30 1 1069 147 147 LYS CB C 33.844 0.30 1 1070 147 147 LYS N N 117.971 0.30 1 1071 148 148 ARG H H 7.822 0.02 1 1072 148 148 ARG HA H 4.210 0.02 1 1073 148 148 ARG HB2 H 2.152 0.02 1 1074 148 148 ARG HB3 H 2.152 0.02 1 1075 148 148 ARG HG2 H 1.834 0.02 1 1076 148 148 ARG HG3 H 1.834 0.02 1 1077 148 148 ARG C C 177.725 0.30 1 1078 148 148 ARG CA C 59.400 0.30 1 1079 148 148 ARG CB C 29.787 0.30 1 1080 148 148 ARG N N 119.071 0.30 1 1081 149 149 VAL H H 8.618 0.02 1 1082 149 149 VAL HA H 3.772 0.02 1 1083 149 149 VAL HB H 2.173 0.02 1 1084 149 149 VAL HG1 H 1.042 0.02 1 1085 149 149 VAL HG2 H 1.042 0.02 1 1086 149 149 VAL C C 177.483 0.30 1 1087 149 149 VAL CA C 67.874 0.30 1 1088 149 149 VAL CB C 31.528 0.30 1 1089 149 149 VAL N N 118.476 0.30 1 1090 150 150 ASP H H 8.449 0.02 1 1091 150 150 ASP HA H 4.568 0.02 1 1092 150 150 ASP HB2 H 2.882 0.02 1 1093 150 150 ASP HB3 H 2.882 0.02 1 1094 150 150 ASP C C 179.642 0.30 1 1095 150 150 ASP CA C 58.311 0.30 1 1096 150 150 ASP CB C 40.232 0.30 1 1097 150 150 ASP N N 119.873 0.30 1 1098 151 151 ARG H H 7.816 0.02 1 1099 151 151 ARG C C 178.984 0.30 1 1100 151 151 ARG CA C 59.967 0.30 1 1101 151 151 ARG CB C 30.069 0.30 1 1102 151 151 ARG N N 120.555 0.30 1 1103 152 152 ILE H H 8.423 0.02 1 1104 152 152 ILE HA H 3.885 0.02 1 1105 152 152 ILE HB H 1.910 0.02 1 1106 152 152 ILE HD1 H 0.892 0.02 1 1107 152 152 ILE C C 178.639 0.30 1 1108 152 152 ILE CA C 65.692 0.30 1 1109 152 152 ILE CB C 38.151 0.30 1 1110 152 152 ILE N N 120.451 0.30 1 1111 153 153 PHE H H 9.197 0.02 1 1112 153 153 PHE HA H 4.391 0.02 1 1113 153 153 PHE HB2 H 3.317 0.02 1 1114 153 153 PHE HB3 H 3.317 0.02 1 1115 153 153 PHE C C 178.336 0.30 1 1116 153 153 PHE CA C 64.082 0.30 1 1117 153 153 PHE CB C 38.720 0.30 1 1118 153 153 PHE N N 120.167 0.30 1 1119 154 154 ALA H H 8.132 0.02 1 1120 154 154 ALA HA H 4.225 0.02 1 1121 154 154 ALA HB H 1.637 0.02 1 1122 154 154 ALA C C 179.970 0.30 1 1123 154 154 ALA CA C 55.431 0.30 1 1124 154 154 ALA CB C 18.307 0.30 1 1125 154 154 ALA N N 120.577 0.30 1 1126 155 155 MET H H 7.581 0.02 1 1127 155 155 MET HA H 4.399 0.02 1 1128 155 155 MET HB2 H 2.131 0.02 2 1129 155 155 MET HB3 H 2.041 0.02 2 1130 155 155 MET HG2 H 2.296 0.02 1 1131 155 155 MET HG3 H 2.296 0.02 1 1132 155 155 MET C C 177.959 0.30 1 1133 155 155 MET CA C 57.900 0.30 1 1134 155 155 MET CB C 34.295 0.30 1 1135 155 155 MET N N 113.921 0.30 1 1136 156 156 MET H H 8.319 0.02 1 1137 156 156 MET HA H 4.569 0.02 1 1138 156 156 MET HB2 H 1.785 0.02 2 1139 156 156 MET HB3 H 1.861 0.02 2 1140 156 156 MET HG2 H 2.236 0.02 1 1141 156 156 MET HG3 H 2.236 0.02 1 1142 156 156 MET C C 177.036 0.30 1 1143 156 156 MET CA C 57.675 0.30 1 1144 156 156 MET CB C 34.997 0.30 1 1145 156 156 MET N N 113.610 0.30 1 1146 157 157 ASP H H 8.450 0.02 1 1147 157 157 ASP HA H 4.661 0.02 1 1148 157 157 ASP HB2 H 2.369 0.02 1 1149 157 157 ASP HB3 H 2.369 0.02 1 1150 157 157 ASP C C 177.624 0.30 1 1151 157 157 ASP CA C 53.230 0.30 1 1152 157 157 ASP CB C 39.434 0.30 1 1153 157 157 ASP N N 118.859 0.30 1 1154 158 158 LYS H H 7.833 0.02 1 1155 158 158 LYS HA H 4.104 0.02 1 1156 158 158 LYS HB2 H 2.000 0.02 1 1157 158 158 LYS HB3 H 2.000 0.02 1 1158 158 158 LYS HG2 H 1.652 0.02 1 1159 158 158 LYS HG3 H 1.652 0.02 1 1160 158 158 LYS C C 177.337 0.30 1 1161 158 158 LYS CA C 58.832 0.30 1 1162 158 158 LYS CB C 32.749 0.30 1 1163 158 158 LYS N N 127.127 0.30 1 1164 159 159 ASN H H 7.938 0.02 1 1165 159 159 ASN HA H 4.861 0.02 1 1166 159 159 ASN HB2 H 2.908 0.02 1 1167 159 159 ASN HB3 H 2.908 0.02 1 1168 159 159 ASN HD21 H 2.052 0.02 1 1169 159 159 ASN HD22 H 2.052 0.02 1 1170 159 159 ASN C C 174.171 0.30 1 1171 159 159 ASN CA C 51.943 0.30 1 1172 159 159 ASN CB C 37.027 0.30 1 1173 159 159 ASN N N 113.007 0.30 1 1174 160 160 ALA H H 7.808 0.02 1 1175 160 160 ALA HA H 4.164 0.02 1 1176 160 160 ALA HB H 1.501 0.02 1 1177 160 160 ALA C C 176.070 0.30 1 1178 160 160 ALA CA C 53.636 0.30 1 1179 160 160 ALA CB C 17.356 0.30 1 1180 160 160 ALA N N 120.680 0.30 1 1181 161 161 ASP H H 8.261 0.02 1 1182 161 161 ASP HA H 4.857 0.02 1 1183 161 161 ASP HB2 H 2.517 0.02 1 1184 161 161 ASP HB3 H 2.517 0.02 1 1185 161 161 ASP C C 178.192 0.30 1 1186 161 161 ASP CA C 53.233 0.30 1 1187 161 161 ASP CB C 40.975 0.30 1 1188 161 161 ASP N N 116.548 0.30 1 1189 162 162 GLY H H 10.514 0.02 1 1190 162 162 GLY HA2 H 4.223 0.02 1 1191 162 162 GLY HA3 H 4.223 0.02 1 1192 162 162 GLY C C 173.447 0.30 1 1193 162 162 GLY CA C 46.215 0.30 1 1194 162 162 GLY N N 112.492 0.30 1 1195 163 163 LYS H H 8.079 0.02 1 1196 163 163 LYS HA H 5.389 0.02 1 1197 163 163 LYS HB2 H 1.758 0.02 1 1198 163 163 LYS HB3 H 1.758 0.02 1 1199 163 163 LYS C C 177.418 0.30 1 1200 163 163 LYS CA C 54.693 0.30 1 1201 163 163 LYS CB C 32.682 0.30 1 1202 163 163 LYS N N 117.460 0.30 1 1203 164 164 LEU H H 9.934 0.02 1 1204 164 164 LEU HA H 4.876 0.02 1 1205 164 164 LEU HB2 H 1.577 0.02 1 1206 164 164 LEU HB3 H 1.577 0.02 1 1207 164 164 LEU C C 178.119 0.30 1 1208 164 164 LEU CA C 53.260 0.30 1 1209 164 164 LEU CB C 43.558 0.30 1 1210 164 164 LEU N N 124.025 0.30 1 1211 165 165 THR H H 8.814 0.02 1 1212 165 165 THR HA H 5.900 0.02 1 1213 165 165 THR HB H 4.853 0.02 1 1214 165 165 THR HG2 H 1.622 0.02 1 1215 165 165 THR C C 175.472 0.30 1 1216 165 165 THR CA C 60.376 0.30 1 1217 165 165 THR CB C 72.011 0.30 1 1218 165 165 THR N N 113.516 0.30 1 1219 166 166 LEU H H 8.949 0.02 1 1220 166 166 LEU HA H 4.406 0.02 1 1221 166 166 LEU HB2 H 1.425 0.02 1 1222 166 166 LEU HB3 H 1.425 0.02 1 1223 166 166 LEU C C 178.334 0.30 1 1224 166 166 LEU CA C 58.910 0.30 1 1225 166 166 LEU CB C 40.380 0.30 1 1226 166 166 LEU N N 123.284 0.30 1 1227 167 167 GLN H H 8.132 0.02 1 1228 167 167 GLN HA H 4.189 0.02 1 1229 167 167 GLN HB2 H 2.001 0.02 1 1230 167 167 GLN HB3 H 2.001 0.02 1 1231 167 167 GLN C C 179.159 0.30 1 1232 167 167 GLN CA C 60.259 0.30 1 1233 167 167 GLN CB C 28.024 0.30 1 1234 167 167 GLN N N 117.477 0.30 1 1235 168 168 GLU H H 7.988 0.02 1 1236 168 168 GLU HA H 4.204 0.02 1 1237 168 168 GLU HB2 H 2.062 0.02 1 1238 168 168 GLU HB3 H 2.062 0.02 1 1239 168 168 GLU HG2 H 2.365 0.02 1 1240 168 168 GLU HG3 H 2.365 0.02 1 1241 168 168 GLU C C 180.581 0.30 1 1242 168 168 GLU CA C 59.399 0.30 1 1243 168 168 GLU CB C 30.720 0.30 1 1244 168 168 GLU N N 118.946 0.30 1 1245 169 169 PHE H H 8.936 0.02 1 1246 169 169 PHE HA H 4.876 0.02 1 1247 169 169 PHE HB2 H 3.589 0.02 1 1248 169 169 PHE HB3 H 3.589 0.02 1 1249 169 169 PHE C C 177.298 0.30 1 1250 169 169 PHE CA C 61.464 0.30 1 1251 169 169 PHE CB C 41.229 0.30 1 1252 169 169 PHE N N 122.579 0.30 1 1253 170 170 GLN H H 9.491 0.02 1 1254 170 170 GLN HA H 3.589 0.02 1 1255 170 170 GLN HB2 H 2.152 0.02 1 1256 170 170 GLN HB3 H 2.152 0.02 1 1257 170 170 GLN HG2 H 2.318 0.02 1 1258 170 170 GLN HG3 H 2.318 0.02 1 1259 170 170 GLN C C 179.027 0.30 1 1260 170 170 GLN CA C 59.985 0.30 1 1261 170 170 GLN CB C 28.982 0.30 1 1262 170 170 GLN N N 119.808 0.30 1 1263 171 171 GLU H H 8.298 0.02 1 1264 171 171 GLU HA H 4.082 0.02 1 1265 171 171 GLU HB2 H 1.864 0.02 1 1266 171 171 GLU HB3 H 1.864 0.02 1 1267 171 171 GLU HG2 H 2.198 0.02 1 1268 171 171 GLU HG3 H 2.198 0.02 1 1269 171 171 GLU C C 180.165 0.30 1 1270 171 171 GLU CA C 59.452 0.30 1 1271 171 171 GLU CB C 29.780 0.30 1 1272 171 171 GLU N N 118.547 0.30 1 1273 172 172 GLY H H 8.412 0.02 1 1274 172 172 GLY HA2 H 4.146 0.02 1 1275 172 172 GLY HA3 H 4.146 0.02 1 1276 172 172 GLY C C 176.018 0.30 1 1277 172 172 GLY CA C 46.596 0.30 1 1278 172 172 GLY N N 107.319 0.30 1 1279 173 173 SER H H 7.914 0.02 1 1280 173 173 SER HA H 4.113 0.02 1 1281 173 173 SER HB2 H 3.611 0.02 1 1282 173 173 SER HB3 H 3.611 0.02 1 1283 173 173 SER C C 174.948 0.30 1 1284 173 173 SER CA C 61.506 0.30 1 1285 173 173 SER CB C 63.484 0.30 1 1286 173 173 SER N N 116.742 0.30 1 1287 174 174 LYS H H 7.193 0.02 1 1288 174 174 LYS HA H 4.058 0.02 1 1289 174 174 LYS HB2 H 1.940 0.02 1 1290 174 174 LYS HB3 H 1.940 0.02 1 1291 174 174 LYS C C 177.639 0.30 1 1292 174 174 LYS CA C 58.780 0.30 1 1293 174 174 LYS CB C 32.422 0.30 1 1294 174 174 LYS N N 119.237 0.30 1 1295 175 175 ALA H H 7.273 0.02 1 1296 175 175 ALA HA H 4.376 0.02 1 1297 175 175 ALA HB H 1.562 0.02 1 1298 175 175 ALA C C 177.864 0.30 1 1299 175 175 ALA CA C 53.287 0.30 1 1300 175 175 ALA CB C 19.520 0.30 1 1301 175 175 ALA N N 119.816 0.30 1 1302 176 176 ASP H H 7.576 0.02 1 1303 176 176 ASP HA H 5.030 0.02 1 1304 176 176 ASP HB2 H 2.281 0.02 2 1305 176 176 ASP HB3 H 2.762 0.02 2 1306 176 176 ASP CA C 51.310 0.30 1 1307 176 176 ASP N N 114.162 0.30 1 1308 177 177 PRO C C 176.642 0.30 1 1309 177 177 PRO CA C 64.113 0.30 1 1310 177 177 PRO CB C 32.362 0.30 1 1311 178 178 SER H H 8.24500 0.02 1 1312 178 178 SER HA H 4.861 0.02 1 1313 178 178 SER HB2 H 4.050 0.02 2 1314 178 178 SER HB3 H 4.140 0.02 2 1315 178 178 SER CA C 61.824 0.30 1 1316 178 178 SER CB C 62.980 0.30 1 1317 178 178 SER N N 115.896 0.30 1 1318 179 179 ILE H H 7.444 0.02 1 1319 179 179 ILE HA H 4.104 0.02 1 1320 179 179 ILE HB H 1.910 0.02 1 1321 179 179 ILE HG12 H 1.456 0.02 2 1322 179 179 ILE HG13 H 1.456 0.02 2 1323 179 179 ILE C C 176.859 0.30 1 1324 179 179 ILE CA C 63.182 0.30 1 1325 179 179 ILE CB C 38.432 0.30 1 1326 179 179 ILE N N 120.633 0.30 1 1327 180 180 VAL H H 7.480 0.02 1 1328 180 180 VAL HA H 4.346 0.02 1 1329 180 180 VAL HB H 2.379 0.02 1 1330 180 180 VAL C C 176.639 0.30 1 1331 180 180 VAL CA C 63.992 0.30 1 1332 180 180 VAL CB C 33.331 0.30 1 1333 180 180 VAL N N 116.333 0.30 1 1334 181 181 GLN H H 7.838 0.02 1 1335 181 181 GLN HA H 4.301 0.02 1 1336 181 181 GLN HB2 H 1.940 0.02 1 1337 181 181 GLN HB3 H 1.940 0.02 1 1338 181 181 GLN C C 176.153 0.30 1 1339 181 181 GLN CA C 57.398 0.30 1 1340 181 181 GLN CB C 29.236 0.30 1 1341 181 181 GLN N N 121.567 0.30 1 1342 182 182 ALA H H 7.925 0.02 1 1343 182 182 ALA HA H 4.709 0.02 1 1344 182 182 ALA HB H 2.106 0.02 1 1345 182 182 ALA C C 177.416 0.30 1 1346 182 182 ALA CA C 53.867 0.30 1 1347 182 182 ALA CB C 18.675 0.30 1 1348 182 182 ALA N N 120.618 0.30 1 1349 183 183 LEU H H 7.635 0.02 1 1350 183 183 LEU HA H 4.891 0.02 1 1351 183 183 LEU HB2 H 1.902 0.02 1 1352 183 183 LEU HB3 H 1.902 0.02 1 1353 183 183 LEU HD1 H 1.196 0.02 1 1354 183 183 LEU HD2 H 1.196 0.02 1 1355 183 183 LEU HG H 2.022 0.02 1 1356 183 183 LEU C C 176.688 0.30 1 1357 183 183 LEU CA C 56.601 0.30 1 1358 183 183 LEU CB C 37.980 0.30 1 1359 183 183 LEU N N 115.148 0.30 1 1360 184 184 SER H H 7.826 0.02 1 1361 184 184 SER HA H 4.846 0.02 1 1362 184 184 SER HB2 H 4.020 0.02 1 1363 184 184 SER HB3 H 4.020 0.02 1 1364 184 184 SER C C 173.361 0.30 1 1365 184 184 SER CA C 58.582 0.30 1 1366 184 184 SER CB C 64.359 0.30 1 1367 184 184 SER N N 113.257 0.30 1 1368 185 185 LEU H H 8.155 0.02 1 1369 185 185 LEU HA H 4.558 0.02 1 1370 185 185 LEU HB2 H 2.833 0.02 1 1371 185 185 LEU HB3 H 2.833 0.02 1 1372 185 185 LEU C C 177.381 0.30 1 1373 185 185 LEU CA C 57.811 0.30 1 1374 185 185 LEU CB C 40.695 0.30 1 1375 185 185 LEU N N 125.751 0.30 1 1376 186 186 TYR H H 7.367 0.02 1 1377 186 186 TYR HA H 4.104 0.02 1 1378 186 186 TYR HB2 H 2.863 0.02 1 1379 186 186 TYR HB3 H 2.863 0.02 1 1380 186 186 TYR C C 175.535 0.30 1 1381 186 186 TYR CA C 58.367 0.30 1 1382 186 186 TYR CB C 40.290 0.30 1 1383 186 186 TYR N N 115.460 0.30 1 1384 187 187 ASP H H 7.796 0.02 1 1385 187 187 ASP HA H 4.210 0.02 1 1386 187 187 ASP HB2 H 1.259 0.02 1 1387 187 187 ASP HB3 H 1.259 0.02 1 1388 187 187 ASP C C 176.684 0.30 1 1389 187 187 ASP CA C 55.609 0.30 1 1390 187 187 ASP CB C 41.322 0.30 1 1391 187 187 ASP N N 120.207 0.30 1 1392 188 188 GLY H H 8.102 0.02 1 1393 188 188 GLY HA2 H 4.868 0.02 1 1394 188 188 GLY HA3 H 4.868 0.02 1 1395 188 188 GLY C C 174.016 0.30 1 1396 188 188 GLY CA C 45.747 0.30 1 1397 188 188 GLY N N 109.007 0.30 1 1398 189 189 LEU H H 8.000 0.02 1 1399 189 189 LEU HA H 4.406 0.02 1 1400 189 189 LEU HB2 H 1.743 0.02 1 1401 189 189 LEU HB3 H 1.743 0.02 1 1402 189 189 LEU HD1 H 0.881 0.02 1 1403 189 189 LEU HD2 H 0.881 0.02 1 1404 189 189 LEU C C 176.087 0.30 1 1405 189 189 LEU CA C 55.691 0.30 1 1406 189 189 LEU CB C 42.918 0.30 1 1407 189 189 LEU N N 121.254 0.30 1 1408 190 190 VAL H H 7.484 0.02 1 1409 190 190 VAL HA H 4.134 0.02 1 1410 190 190 VAL HB H 2.106 0.02 1 1411 190 190 VAL HG1 H 0.896 0.02 1 1412 190 190 VAL HG2 H 0.896 0.02 1 1413 190 190 VAL CA C 63.561 0.30 1 1414 190 190 VAL N N 122.671 0.30 1 stop_ save_