data_6942 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Myristoylated neuronal calcium sensor-1 ; _BMRB_accession_number 6942 _BMRB_flat_file_name bmr6942.str _Entry_type original _Submission_date 2006-01-18 _Accession_date 2006-01-18 _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 Mukherjee Sulakshana . . 2 Chary Kandala V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 898 "13C chemical shifts" 654 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-08-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations_Myristoylated_NCS-1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N chemical shift assignments of neuronal calcium sensor-1, a multi-functional calcium-binding protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16804767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mukherjee Sulakshana . . 2 Muralidhar Dasari . . 3 Atreya Hanudatta S. . 4 Szyperski Thomas . . 5 Jeromin Andreas . . 6 Sharma Yogendra . . 7 Chary Kandala V.R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 48 _Page_last 48 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'myristoylated NCS-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'myristoylated NCS-1' $myristoylated_NCS-1 'CALCIUM (II) ION, 1' $CA 'CALCIUM (II) ION, 2' $CA 'CALCIUM (II) ION, 3' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_myristoylated_NCS-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'myristoylated neuronal calcium sensor-1 protein' _Molecular_mass . _Mol_thiol_state 'all free' _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 2015-01-28 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 16334 Nonmyristoylated_Neuronal_Calcium_Sensor1 100.00 190 100.00 100.00 7.21e-136 BMRB 16726 "myristoylated NCS1" 100.00 190 100.00 100.00 7.21e-136 BMRB 4378 rfrq 100.00 190 100.00 100.00 7.21e-136 PDB 1G8I "Crystal Structure Of Human Frequenin (Neuronal Calcium Sensor 1)" 100.00 190 100.00 100.00 7.21e-136 PDB 2LCP "Nmr Structure Of Calcium Loaded, Un-Myristoylated Human Ncs-1" 100.00 190 100.00 100.00 7.21e-136 PDB 2YOU "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 7.21e-136 PDB 2YOV "Neuronal Calcium Sensor (ncs-1)from Rattus Norvegicus" 100.00 190 100.00 100.00 7.21e-136 PDB 4GUK "New Crystal Form Structure Of Human Ncs1" 100.00 190 100.00 100.00 7.21e-136 PDB 4OV2 "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" 93.16 179 100.00 100.00 6.05e-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 7.21e-136 DBJ BAC37557 "unnamed protein product [Mus musculus]" 90.00 171 99.42 100.00 1.20e-120 DBJ BAG73169 "frequenin homolog [synthetic construct]" 100.00 190 100.00 100.00 7.21e-136 EMBL CAA57678 "frequenin-like protein [Rattus norvegicus]" 100.00 190 100.00 100.00 7.21e-136 EMBL CAA58867 "frequenin-like ubiquitous protein [Homo sapiens]" 100.00 190 100.00 100.00 7.21e-136 EMBL CAG05167 "unnamed protein product [Tetraodon nigroviridis]" 100.00 190 97.89 99.47 4.72e-133 EMBL CAH90617 "hypothetical protein [Pongo abelii]" 100.00 190 99.47 99.47 1.32e-134 EMBL CAJ81731 "frequenin homolog (Drosophila) [Xenopus (Silurana) tropicalis]" 100.00 190 99.47 100.00 2.77e-135 GB AAA85633 "mouse neuronal calcium sensor homologue [Gallus gallus]" 100.00 190 100.00 100.00 7.21e-136 GB AAA88510 "neuronal calcium sensor [Rattus norvegicus]" 100.00 190 100.00 100.00 7.21e-136 GB AAC59690 "frequenin [Xenopus laevis]" 100.00 190 98.95 99.47 1.29e-134 GB AAD01642 "neuronal calcium sensor-1 [Mus musculus]" 100.00 190 100.00 100.00 7.21e-136 GB AAF01804 "frequenin [Homo sapiens]" 100.00 190 98.95 98.95 9.16e-134 REF NP_001018350 "neuronal calcium sensor 1 [Danio rerio]" 100.00 190 97.89 100.00 2.89e-133 REF NP_001035637 "neuronal calcium sensor 1 [Bos taurus]" 100.00 190 98.95 99.47 2.28e-134 REF NP_001084088 "neuronal calcium sensor 1 [Xenopus laevis]" 100.00 190 98.95 99.47 1.29e-134 REF NP_001085136 "uncharacterized protein LOC432213 [Xenopus laevis]" 100.00 190 98.95 100.00 1.24e-134 REF NP_001122298 "neuronal calcium sensor 1 isoform 2 [Homo sapiens]" 88.42 172 100.00 100.00 5.09e-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 7.21e-136 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 7.21e-136 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 7.21e-136 SP Q2V8Y7 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog [Bos taurus]" 100.00 190 98.95 99.47 2.28e-134 SP Q5RC90 "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog [Pongo abelii]" 100.00 190 99.47 99.47 1.32e-134 TPG DAA24173 "TPA: frequenin homolog [Bos taurus]" 88.42 168 99.40 99.40 8.48e-118 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $myristoylated_NCS-1 Rat 10116 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 $myristoylated_NCS-1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_myr-NCS-1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Isotopic_labeling $myristoylated_NCS-1 2 mM 1 '[U-13C; U-15N]' 'Tris buffer' 50 mM . . KCl 100 mM . . DTT 1 mM . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $myr-NCS-1 save_ save_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $myr-NCS-1 save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $myr-NCS-1 save_ save_1H15N_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESY-HSQC _Sample_label $myr-NCS-1 save_ save_HCCH_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_COSY _Sample_label $myr-NCS-1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $myr-NCS-1 save_ save_1H15N_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSY-HSQC _Sample_label $myr-NCS-1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 1 mM pH 7.2 0.05 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citations_Myristoylated_NCS-1 $citations_Myristoylated_NCS-1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citations_Myristoylated_NCS-1 $citations_Myristoylated_NCS-1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citations_Myristoylated_NCS-1 $citations_Myristoylated_NCS-1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC CBCANH CBCACONH 1H15N_NOESY-HSQC HCCH_COSY HNCO 1H15N_TOCSY-HSQC stop_ loop_ _Sample_label $myr-NCS-1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'myristoylated NCS-1' _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 8 8 LEU H H 8.46 0.05 1 2 8 8 LEU HA H 4.04 0.05 1 3 8 8 LEU HB2 H 1.79 0.05 2 4 8 8 LEU HB3 H 1.7 0.05 2 5 8 8 LEU HG H 1.38 0.05 1 6 8 8 LEU HD1 H 0.95 0.05 2 7 8 8 LEU HD2 H 0.95 0.05 2 8 8 8 LEU C C 177.16 0.15 1 9 8 8 LEU CA C 54.23 0.15 1 10 8 8 LEU CB C 43.08 0.15 1 11 8 8 LEU CG C 26.69 0.15 1 12 8 8 LEU CD1 C 23.83 0.15 1 13 8 8 LEU CD2 C 23.16 0.15 1 14 8 8 LEU N N 124.33 0.15 1 15 9 9 LYS H H 8.4 0.05 1 16 9 9 LYS HA H 4.45 0.05 1 17 9 9 LYS HB2 H 2.13 0.05 2 18 9 9 LYS HB3 H 2.14 0.05 2 19 9 9 LYS HG2 H 1.74 0.05 2 20 9 9 LYS HG3 H 1.67 0.05 2 21 9 9 LYS HD2 H 1.69 0.05 1 22 9 9 LYS HD3 H 1.69 0.05 1 23 9 9 LYS HE2 H 2.87 0.05 1 24 9 9 LYS HE3 H 2.87 0.05 1 25 9 9 LYS CA C 55.04 0.15 1 26 9 9 LYS CB C 31.93 0.15 1 27 9 9 LYS CG C 20.94 0.15 1 28 9 9 LYS CD C 26.21 0.15 1 29 9 9 LYS CE C 43.2 0.15 1 30 9 9 LYS N N 124.49 0.15 1 31 10 10 PRO C C 178.75 0.15 1 32 10 10 PRO CA C 65.65 0.15 1 33 11 11 GLU H H 9.95 0.05 1 34 11 11 GLU HA H 4.17 0.05 1 35 11 11 GLU HB2 H 2 0.05 2 36 11 11 GLU HB3 H 2.02 0.05 2 37 11 11 GLU HG2 H 2.37 0.05 2 38 11 11 GLU HG3 H 2.36 0.05 2 39 11 11 GLU C C 179.2 0.15 1 40 11 11 GLU CA C 59.66 0.15 1 41 11 11 GLU CB C 28.36 0.15 1 42 11 11 GLU CG C 36.37 0.15 1 43 11 11 GLU N N 117.24 0.15 1 44 12 12 VAL H H 7.4 0.05 1 45 12 12 VAL HA H 3.91 0.05 1 46 12 12 VAL HB H 2.2 0.05 1 47 12 12 VAL HG1 H 1.04 0.05 2 48 12 12 VAL HG2 H 1.05 0.05 2 49 12 12 VAL C C 177.73 0.15 1 50 12 12 VAL CA C 65.1 0.15 1 51 12 12 VAL CB C 31.93 0.15 1 52 12 12 VAL CG1 C 20.17 0.15 1 53 12 12 VAL CG2 C 20.2 0.15 1 54 12 12 VAL N N 122.34 0.15 1 55 13 13 VAL H H 7.73 0.05 1 56 13 13 VAL HA H 4.17 0.05 1 57 13 13 VAL HB H 2.05 0.05 1 58 13 13 VAL HG1 H 0.89 0.05 2 59 13 13 VAL HG2 H 0.99 0.05 2 60 13 13 VAL C C 178.17 0.15 1 61 13 13 VAL CA C 67.28 0.15 1 62 13 13 VAL CB C 31.93 0.15 1 63 13 13 VAL CG1 C 20.91 0.15 1 64 13 13 VAL CG2 C 20.91 0.15 1 65 13 13 VAL N N 120.13 0.15 1 66 14 14 GLU H H 8.3 0.05 1 67 14 14 GLU HA H 4.01 0.05 1 68 14 14 GLU HB2 H 2.04 0.05 2 69 14 14 GLU HB3 H 2.09 0.05 2 70 14 14 GLU HG2 H 2.35 0.05 2 71 14 14 GLU HG3 H 2.37 0.05 2 72 14 14 GLU C C 178.71 0.15 1 73 14 14 GLU CA C 59.66 0.15 1 74 14 14 GLU CB C 29.48 0.15 1 75 14 14 GLU CG C 35.95 0.15 1 76 14 14 GLU N N 119.16 0.15 1 77 15 15 GLU H H 7.47 0.05 1 78 15 15 GLU HA H 3.93 0.05 1 79 15 15 GLU HB2 H 2.01 0.05 2 80 15 15 GLU HB3 H 2.07 0.05 2 81 15 15 GLU HG2 H 2.3 0.05 2 82 15 15 GLU HG3 H 2.2 0.05 2 83 15 15 GLU C C 178.86 0.15 1 84 15 15 GLU CA C 59.39 0.15 1 85 15 15 GLU CB C 29.75 0.15 1 86 15 15 GLU CG C 36.15 0.15 1 87 15 15 GLU N N 119.58 0.15 1 88 16 16 LEU H H 8.43 0.05 1 89 16 16 LEU HA H 4.05 0.05 1 90 16 16 LEU HB2 H 1.72 0.05 2 91 16 16 LEU HB3 H 1.65 0.05 2 92 16 16 LEU HG H 1.23 0.05 1 93 16 16 LEU HD1 H 0.86 0.05 2 94 16 16 LEU C C 180.32 0.15 1 95 16 16 LEU CA C 57.76 0.15 1 96 16 16 LEU CB C 41.99 0.15 1 97 16 16 LEU CG C 26.87 0.15 1 98 16 16 LEU CD1 C 23.73 0.15 1 99 16 16 LEU CD2 C 23.42 0.15 1 100 16 16 LEU N N 117.54 0.15 1 101 17 17 THR H H 8.62 0.05 1 102 17 17 THR HA H 4.16 0.05 1 103 17 17 THR HB H 4.35 0.05 1 104 17 17 THR HG2 H 1.29 0.05 1 105 17 17 THR C C 179.11 0.15 1 106 17 17 THR CA C 65.1 0.15 1 107 17 17 THR CB C 69.18 0.15 1 108 17 17 THR CG2 C 21.84 0.15 1 109 17 17 THR N N 114.61 0.15 1 110 18 18 ARG H H 7.5 0.05 1 111 18 18 ARG HA H 4.23 0.05 1 112 18 18 ARG HB2 H 1.97 0.05 2 113 18 18 ARG HB3 H 1.99 0.05 2 114 18 18 ARG HG2 H 1.75 0.05 2 115 18 18 ARG HG3 H 1.74 0.05 2 116 18 18 ARG HD2 H 3.24 0.05 2 117 18 18 ARG HD3 H 3.13 0.05 2 118 18 18 ARG C C 178.28 0.15 1 119 18 18 ARG CA C 58.3 0.15 1 120 18 18 ARG CB C 30.84 0.15 1 121 18 18 ARG CD C 43.44 0.15 1 122 18 18 ARG N N 119.51 0.15 1 123 19 19 LYS H H 7.59 0.05 1 124 19 19 LYS HA H 4.3 0.05 1 125 19 19 LYS HB2 H 1.91 0.05 2 126 19 19 LYS HB3 H 1.93 0.05 2 127 19 19 LYS HG2 H 1.59 0.05 2 128 19 19 LYS HG3 H 1.75 0.05 2 129 19 19 LYS HD2 H 1.61 0.05 1 130 19 19 LYS HD3 H 1.61 0.05 1 131 19 19 LYS HE2 H 2.93 0.05 1 132 19 19 LYS HE3 H 2.93 0.05 1 133 19 19 LYS C C 175.67 0.15 1 134 19 19 LYS CA C 56.67 0.15 1 135 19 19 LYS CB C 32.84 0.15 1 136 19 19 LYS CG C 24.93 0.15 1 137 19 19 LYS CD C 29.31 0.15 1 138 19 19 LYS CE C 42.01 0.15 1 139 19 19 LYS N N 115.83 0.15 1 140 20 20 THR H H 7.39 0.05 1 141 20 20 THR HA H 4.9 0.05 1 142 20 20 THR HB H 4.07 0.05 1 143 20 20 THR HG2 H 1.18 0.05 1 144 20 20 THR C C 173.13 0.15 1 145 20 20 THR CA C 60.21 0.15 1 146 20 20 THR CB C 69.64 0.15 1 147 20 20 THR CG2 C 20.03 0.15 1 148 20 20 THR N N 108.84 0.15 1 149 21 21 TYR H H 7.67 0.05 1 150 21 21 TYR HA H 4.58 0.05 1 151 21 21 TYR HB2 H 2.91 0.05 1 152 21 21 TYR HB3 H 2.91 0.05 1 153 21 21 TYR C C 175.93 0.15 1 154 21 21 TYR CA C 57.49 0.15 1 155 21 21 TYR CB C 39 0.15 1 156 21 21 TYR N N 114.46 0.15 1 157 22 22 PHE H H 7.74 0.05 1 158 22 22 PHE HA H 5.12 0.05 1 159 22 22 PHE HB2 H 2.8 0.05 2 160 22 22 PHE HB3 H 2.77 0.05 2 161 22 22 PHE C C 176.18 0.15 1 162 22 22 PHE CA C 57.49 0.15 1 163 22 22 PHE CB C 41.45 0.15 1 164 22 22 PHE N N 119.37 0.15 1 165 23 23 THR H H 9.44 0.05 1 166 23 23 THR HA H 4.59 0.05 1 167 23 23 THR HB H 4.41 0.05 1 168 23 23 THR HG2 H 1.42 0.05 1 169 23 23 THR C C 175.58 0.15 1 170 23 23 THR CA C 60.48 0.15 1 171 23 23 THR CB C 69.64 0.15 1 172 23 23 THR CG2 C 19.36 0.15 1 173 23 23 THR N N 112.29 0.15 1 174 24 24 GLU H H 9.23 0.05 1 175 24 24 GLU HA H 4.53 0.05 1 176 24 24 GLU HB2 H 2.12 0.05 2 177 24 24 GLU HB3 H 2.04 0.05 2 178 24 24 GLU HG2 H 2.35 0.05 2 179 24 24 GLU HG3 H 2.36 0.05 2 180 24 24 GLU C C 178.7 0.15 1 181 24 24 GLU CA C 60.48 0.15 1 182 24 24 GLU CB C 29.21 0.15 1 183 24 24 GLU CG C 34.2 0.15 1 184 24 24 GLU N N 121 0.15 1 185 25 25 LYS H H 8.14 0.05 1 186 25 25 LYS HA H 4.26 0.05 1 187 25 25 LYS HB2 H 1.85 0.05 2 188 25 25 LYS HB3 H 1.9 0.05 2 189 25 25 LYS HG2 H 1.43 0.05 2 190 25 25 LYS HG3 H 1.44 0.05 2 191 25 25 LYS HD2 H 1.61 0.05 1 192 25 25 LYS HD3 H 1.61 0.05 1 193 25 25 LYS HE2 H 2.93 0.05 1 194 25 25 LYS HE3 H 2.93 0.05 1 195 25 25 LYS C C 179.72 0.15 1 196 25 25 LYS CA C 59.66 0.15 1 197 25 25 LYS CB C 32.74 0.15 1 198 25 25 LYS CG C 23.95 0.15 1 199 25 25 LYS CD C 28.91 0.15 1 200 25 25 LYS CE C 41.94 0.15 1 201 25 25 LYS N N 117.74 0.15 1 202 26 26 GLU H H 7.68 0.05 1 203 26 26 GLU HA H 4.03 0.05 1 204 26 26 GLU HB2 H 2.01 0.05 2 205 26 26 GLU HB3 H 1.95 0.05 2 206 26 26 GLU HG2 H 2.32 0.05 2 207 26 26 GLU HG3 H 2.53 0.05 2 208 26 26 GLU C C 177.68 0.15 1 209 26 26 GLU CA C 59.12 0.15 1 210 26 26 GLU CB C 30.3 0.15 1 211 26 26 GLU CG C 34.26 0.15 1 212 26 26 GLU N N 119.45 0.15 1 213 27 27 VAL H H 9 0.05 1 214 27 27 VAL HA H 3.77 0.05 1 215 27 27 VAL HB H 2.3 0.05 1 216 27 27 VAL HG1 H 1.03 0.05 2 217 27 27 VAL HG2 H 1.04 0.05 2 218 27 27 VAL C C 177.98 0.15 1 219 27 27 VAL CA C 67.82 0.15 1 220 27 27 VAL CB C 31.66 0.15 1 221 27 27 VAL CG1 C 20.68 0.15 1 222 27 27 VAL CG2 C 20.67 0.15 1 223 27 27 VAL N N 119.82 0.15 1 224 28 28 GLN H H 8.01 0.05 1 225 28 28 GLN HA H 4.2 0.05 1 226 28 28 GLN HB2 H 2.21 0.05 2 227 28 28 GLN HB3 H 2.07 0.05 2 228 28 28 GLN HG2 H 2.63 0.05 2 229 28 28 GLN HG3 H 2.38 0.05 2 230 28 28 GLN C C 176.48 0.15 1 231 28 28 GLN CA C 59.12 0.15 1 232 28 28 GLN CB C 28.67 0.15 1 233 28 28 GLN CG C 33.71 0.15 1 234 28 28 GLN N N 116.22 0.15 1 235 29 29 GLN H H 8.18 0.05 1 236 29 29 GLN HA H 4.03 0.05 1 237 29 29 GLN HB2 H 1.94 0.05 1 238 29 29 GLN HB3 H 1.94 0.05 1 239 29 29 GLN HG2 H 2.27 0.05 2 240 29 29 GLN HG3 H 2.15 0.05 2 241 29 29 GLN C C 179.63 0.15 1 242 29 29 GLN CA C 59.12 0.15 1 243 29 29 GLN CB C 28.66 0.15 1 244 29 29 GLN CG C 33.65 0.15 1 245 29 29 GLN N N 121.01 0.15 1 246 30 30 TRP H H 8.8 0.05 1 247 30 30 TRP HA H 4.64 0.05 1 248 30 30 TRP HB2 H 3.44 0.05 2 249 30 30 TRP HB3 H 3.37 0.05 2 250 30 30 TRP HE1 H 10.22 0.05 1 251 30 30 TRP C C 179.06 0.15 1 252 30 30 TRP CA C 60.75 0.15 1 253 30 30 TRP CB C 30.3 0.15 1 254 30 30 TRP N N 120.89 0.15 1 255 30 30 TRP NE1 N 129.17 0.15 1 256 31 31 TYR H H 8.75 0.05 1 257 31 31 TYR HA H 4.04 0.05 1 258 31 31 TYR HB2 H 2.86 0.05 2 259 31 31 TYR HB3 H 2.53 0.05 2 260 31 31 TYR C C 176.15 0.15 1 261 31 31 TYR CA C 62.11 0.15 1 262 31 31 TYR CB C 37.91 0.15 1 263 31 31 TYR N N 121.22 0.15 1 264 32 32 LYS H H 7.81 0.05 1 265 32 32 LYS HA H 3.77 0.05 1 266 32 32 LYS HB2 H 1.94 0.05 2 267 32 32 LYS HB3 H 1.91 0.05 2 268 32 32 LYS HG2 H 1.69 0.05 2 269 32 32 LYS HG3 H 1.66 0.05 2 270 32 32 LYS HD2 H 1.68 0.05 1 271 32 32 LYS HD3 H 1.68 0.05 1 272 32 32 LYS HE2 H 2.87 0.05 1 273 32 32 LYS HE3 H 2.87 0.05 1 274 32 32 LYS C C 179.65 0.15 1 275 32 32 LYS CA C 59.66 0.15 1 276 32 32 LYS CB C 32.47 0.15 1 277 32 32 LYS CG C 24.6 0.15 1 278 32 32 LYS CD C 26.52 0.15 1 279 32 32 LYS CE C 42.68 0.15 1 280 32 32 LYS N N 117.37 0.15 1 281 33 33 GLY H H 7.65 0.05 1 282 33 33 GLY HA2 H 3.85 0.05 1 283 33 33 GLY HA3 H 3.85 0.05 1 284 33 33 GLY C C 175 0.15 1 285 33 33 GLY CA C 47.16 0.15 1 286 33 33 GLY N N 104.44 0.15 1 287 34 34 PHE H H 8.62 0.05 1 288 34 34 PHE HA H 4.09 0.05 1 289 34 34 PHE HB2 H 3.14 0.05 2 290 34 34 PHE HB3 H 3.13 0.05 2 291 34 34 PHE C C 176.64 0.15 1 292 34 34 PHE CA C 61.02 0.15 1 293 34 34 PHE CB C 39.95 0.15 1 294 34 34 PHE N N 124.48 0.15 1 295 35 35 ILE H H 8.3 0.05 1 296 35 35 ILE HA H 3.86 0.05 1 297 35 35 ILE HB H 1.92 0.05 1 298 35 35 ILE HG12 H 1.06 0.05 2 299 35 35 ILE HG13 H 1.01 0.05 2 300 35 35 ILE HG2 H 0.76 0.05 1 301 35 35 ILE HD1 H 0.63 0.05 1 302 35 35 ILE C C 178.2 0.15 1 303 35 35 ILE CA C 59.66 0.15 1 304 35 35 ILE CB C 38.18 0.15 1 305 35 35 ILE CG1 C 27.9 0.15 1 306 35 35 ILE CG2 C 17.11 0.15 1 307 35 35 ILE CD1 C 13.27 0.15 1 308 35 35 ILE N N 115.74 0.15 1 309 36 36 LYS H H 7.13 0.05 1 310 36 36 LYS HA H 3.91 0.05 1 311 36 36 LYS HB2 H 1.88 0.05 1 312 36 36 LYS HB3 H 1.88 0.05 1 313 36 36 LYS HG2 H 1.38 0.05 1 314 36 36 LYS HG3 H 1.38 0.05 1 315 36 36 LYS C C 177.58 0.15 1 316 36 36 LYS CA C 59.12 0.15 1 317 36 36 LYS CB C 32.2 0.15 1 318 36 36 LYS CG C 21.98 0.15 1 319 36 36 LYS CD C 26.61 0.15 1 320 36 36 LYS CE C 42.47 0.15 1 321 36 36 LYS N N 122.04 0.15 1 322 37 37 ASP H H 7.25 0.05 1 323 37 37 ASP HA H 4.65 0.05 1 324 37 37 ASP HB2 H 2.65 0.05 2 325 37 37 ASP HB3 H 2.44 0.05 2 326 37 37 ASP C C 176.21 0.15 1 327 37 37 ASP CA C 55.31 0.15 1 328 37 37 ASP CB C 41.72 0.15 1 329 37 37 ASP N N 116.15 0.15 1 330 38 38 CYS H H 7.97 0.05 1 331 38 38 CYS HA H 4.61 0.05 1 332 38 38 CYS HB2 H 2.56 0.05 2 333 38 38 CYS HB3 H 2.57 0.05 2 334 38 38 CYS HG H 1.88 0.05 1 335 38 38 CYS CA C 55.59 0.15 1 336 38 38 CYS CB C 26.22 0.15 1 337 38 38 CYS N N 120.32 0.15 1 338 39 39 PRO C C 178.2 0.15 1 339 39 39 PRO CA C 64.83 0.15 1 340 40 40 SER H H 8.27 0.05 1 341 40 40 SER HA H 4.4 0.05 1 342 40 40 SER HB2 H 4.06 0.05 2 343 40 40 SER HB3 H 3.92 0.05 2 344 40 40 SER C C 176.37 0.15 1 345 40 40 SER CA C 59.12 0.15 1 346 40 40 SER N N 111.16 0.15 1 347 41 41 GLY H H 8.57 0.15 1 348 41 41 GLY HA2 H 3.71 0.15 1 349 41 41 GLY HA3 H 3.71 0.15 1 350 41 41 GLY C C 172.49 0.15 1 351 41 41 GLY CA C 45.25 0.15 1 352 41 41 GLY N N 110.38 0.15 1 353 42 42 GLN H H 7.58 0.05 1 354 42 42 GLN HA H 4.87 0.05 1 355 42 42 GLN HB2 H 1.97 0.05 2 356 42 42 GLN HB3 H 1.91 0.05 2 357 42 42 GLN HG2 H 2.18 0.05 1 358 42 42 GLN HG3 H 2.18 0.05 1 359 42 42 GLN C C 173.42 0.15 1 360 42 42 GLN CA C 53.95 0.15 1 361 42 42 GLN CB C 30.84 0.15 1 362 42 42 GLN CG C 36.59 0.15 1 363 42 42 GLN N N 117.4 0.15 1 364 43 43 LEU H H 8.93 0.05 1 365 43 43 LEU HA H 4.63 0.05 1 366 43 43 LEU HB2 H 1.76 0.05 2 367 43 43 LEU HB3 H 1.78 0.05 2 368 43 43 LEU HG H 1.72 0.05 1 369 43 43 LEU HD1 H 0.99 0.05 2 370 43 43 LEU HD2 H 0.99 0.05 2 371 43 43 LEU C C 176.44 0.15 1 372 43 43 LEU CA C 55.31 0.15 1 373 43 43 LEU CB C 44.71 0.15 1 374 43 43 LEU CG C 26.71 0.15 1 375 43 43 LEU CD1 C 23.47 0.15 1 376 43 43 LEU CD2 C 24.65 0.15 1 377 43 43 LEU N N 126.57 0.15 1 378 44 44 ASP H H 8.26 0.05 1 379 44 44 ASP HA H 5.06 0.05 1 380 44 44 ASP HB2 H 2.7 0.05 2 381 44 44 ASP HB3 H 3.27 0.05 2 382 44 44 ASP C C 175.63 0.15 1 383 44 44 ASP CA C 51.78 0.15 1 384 44 44 ASP CB C 41.99 0.15 1 385 44 44 ASP N N 124.31 0.15 1 386 45 45 ALA H H 8.37 0.05 1 387 45 45 ALA HA H 3.87 0.05 1 388 45 45 ALA HB H 0.78 0.05 1 389 45 45 ALA C C 180 0.15 1 390 45 45 ALA CA C 56.13 0.15 1 391 45 45 ALA CB C 17.52 0.15 1 392 45 45 ALA N N 122.35 0.15 1 393 46 46 ALA H H 8.04 0.05 1 394 46 46 ALA HA H 4.04 0.05 1 395 46 46 ALA HB H 1.4 0.05 1 396 46 46 ALA C C 181.27 0.15 1 397 46 46 ALA CA C 55.04 0.15 1 398 46 46 ALA CB C 18.33 0.15 1 399 46 46 ALA N N 120.29 0.15 1 400 47 47 GLY H H 8.65 0.05 1 401 47 47 GLY HA2 H 3.88 0.08 1 402 47 47 GLY HA3 H 3.88 0.08 1 403 47 47 GLY C C 176.6 0.15 1 404 47 47 GLY CA C 47.16 0.15 1 405 47 47 GLY N N 109.01 0.15 1 406 48 48 PHE H H 8.87 0.05 1 407 48 48 PHE HA H 4.44 0.05 1 408 48 48 PHE HB2 H 3.39 0.05 2 409 48 48 PHE HB3 H 3.27 0.05 2 410 48 48 PHE C C 177.37 0.15 1 411 48 48 PHE CA C 61.57 0.15 1 412 48 48 PHE CB C 40.9 0.15 1 413 48 48 PHE N N 124.88 0.15 1 414 49 49 GLN H H 8.5 0.05 1 415 49 49 GLN HA H 3.78 0.05 1 416 49 49 GLN HB2 H 2.32 0.05 2 417 49 49 GLN HB3 H 2.12 0.05 2 418 49 49 GLN HG2 H 2.54 0.05 2 419 49 49 GLN HG3 H 2.53 0.05 2 420 49 49 GLN CA C 59.66 0.15 1 421 49 49 GLN CB C 27.67 0.15 1 422 49 49 GLN CG C 33.88 0.15 1 423 49 49 GLN N N 117.54 0.15 1 424 50 50 LYS H H 10.21 0.05 1 425 50 50 LYS HA H 3.93 0.05 1 426 50 50 LYS HB2 H 1.9 0.05 2 427 50 50 LYS HB3 H 1.86 0.05 2 428 50 50 LYS HG2 H 1.45 0.05 2 429 50 50 LYS HG3 H 1.46 0.05 2 430 50 50 LYS HD2 H 1.71 0.05 1 431 50 50 LYS HD3 H 1.71 0.05 1 432 50 50 LYS HE2 H 2.93 0.05 1 433 50 50 LYS HE3 H 2.93 0.05 1 434 50 50 LYS C C 175.76 0.15 1 435 50 50 LYS CA C 59.66 0.15 1 436 50 50 LYS CB C 32.74 0.15 1 437 50 50 LYS CG C 24.19 0.15 1 438 50 50 LYS CD C 28.98 0.15 1 439 50 50 LYS CE C 41.91 0.15 1 440 50 50 LYS N N 129.97 0.15 1 441 51 51 ILE H H 7.5 0.05 1 442 51 51 ILE HA H 3.68 0.05 1 443 51 51 ILE HB H 1.93 0.05 1 444 51 51 ILE HG12 H 1.4 0.05 2 445 51 51 ILE HG13 H 1.41 0.05 2 446 51 51 ILE HG2 H 0.91 0.05 1 447 51 51 ILE HD1 H 0.72 0.05 1 448 51 51 ILE CA C 64.83 0.15 1 449 51 51 ILE CB C 38.18 0.15 1 450 51 51 ILE N N 119.74 0.15 1 451 53 53 LYS H H 8.16 0.05 1 452 53 53 LYS HA H 4.15 0.05 1 453 53 53 LYS C C 177.76 0.15 1 454 53 53 LYS CA C 58.03 0.15 1 455 53 53 LYS CB C 32.47 0.15 1 456 53 53 LYS N N 117.72 0.15 1 457 54 54 GLN H H 7.41 0.05 1 458 54 54 GLN HA H 3.89 0.05 1 459 54 54 GLN HB2 H 2.08 0.05 2 460 54 54 GLN HB3 H 1.97 0.05 2 461 54 54 GLN HG2 H 2.22 0.05 2 462 54 54 GLN HG3 H 2.24 0.05 2 463 54 54 GLN C C 177.49 0.15 1 464 54 54 GLN CA C 58.03 0.15 1 465 54 54 GLN CB C 28.67 0.15 1 466 54 54 GLN CG C 33.71 0.15 1 467 54 54 GLN N N 116.04 0.15 1 468 55 55 PHE H H 7.26 0.05 1 469 55 55 PHE HA H 4.22 0.05 1 470 55 55 PHE HB2 H 2.68 0.05 2 471 55 55 PHE HB3 H 2.69 0.05 2 472 55 55 PHE C C 175.26 0.15 1 473 55 55 PHE CA C 58.58 0.15 1 474 55 55 PHE CB C 40.09 0.15 1 475 55 55 PHE N N 116.37 0.15 1 476 56 56 PHE H H 7.86 0.05 1 477 56 56 PHE HA H 4.93 0.05 1 478 56 56 PHE HB2 H 2.82 0.05 2 479 56 56 PHE HB3 H 2.84 0.05 2 480 56 56 PHE CA C 56.13 0.15 1 481 56 56 PHE CB C 39.81 0.15 1 482 56 56 PHE N N 116.96 0.15 1 483 57 57 PRO C C 178.26 0.15 1 484 57 57 PRO CA C 64.01 0.15 1 485 58 58 PHE H H 8.37 0.05 1 486 58 58 PHE HA H 4.88 0.05 1 487 58 58 PHE HB2 H 3.01 0.05 1 488 58 58 PHE HB3 H 3.01 0.05 1 489 58 58 PHE C C 175.74 0.15 1 490 58 58 PHE CA C 57.49 0.15 1 491 58 58 PHE CB C 39.27 0.15 1 492 58 58 PHE N N 117.02 0.15 1 493 59 59 GLY H H 7.57 0.05 1 494 59 59 GLY HA2 H 4 0.05 1 495 59 59 GLY HA3 H 4 0.05 1 496 59 59 GLY C C 172.83 0.15 1 497 59 59 GLY CA C 44.44 0.15 1 498 59 59 GLY N N 109.4 0.15 1 499 60 60 ASP H H 8.05 0.05 1 500 60 60 ASP HA H 5.42 0.05 1 501 60 60 ASP HB2 H 2.96 0.05 2 502 60 60 ASP HB3 H 2.62 0.05 2 503 60 60 ASP CA C 50.15 0.15 1 504 60 60 ASP N N 118.4 0.15 1 505 61 61 PRO C C 174.94 0.15 1 506 61 61 PRO CA C 62.93 0.15 1 507 62 62 THR H H 8.1 0.05 1 508 62 62 THR HA H 4.37 0.05 1 509 62 62 THR HB H 4.08 0.05 1 510 62 62 THR HG2 H 1.09 0.05 1 511 62 62 THR C C 176.37 0.15 1 512 62 62 THR CA C 63.2 0.15 1 513 62 62 THR CB C 68.14 0.15 1 514 62 62 THR CG2 C 21.11 0.15 1 515 62 62 THR N N 116.87 0.15 1 516 63 63 LYS H H 8.57 0.05 1 517 63 63 LYS HA H 3.76 0.05 1 518 63 63 LYS HB2 H 1.72 0.05 2 519 63 63 LYS HB3 H 1.91 0.05 2 520 63 63 LYS HG2 H 1.36 0.05 1 521 63 63 LYS HG3 H 1.36 0.05 1 522 63 63 LYS CA C 59.94 0.15 1 523 63 63 LYS CB C 32.47 0.15 1 524 63 63 LYS N N 122 0.15 1 525 64 64 PHE H H 9.13 0.05 1 526 64 64 PHE HA H 4.77 0.05 1 527 64 64 PHE HB2 H 2.89 0.05 2 528 64 64 PHE HB3 H 2.86 0.05 2 529 64 64 PHE C C 176.6 0.15 1 530 64 64 PHE CA C 62.66 0.15 1 531 64 64 PHE CB C 39.81 0.15 1 532 64 64 PHE N N 120.24 0.15 1 533 65 65 ALA H H 8.98 0.05 1 534 65 65 ALA HA H 3.51 0.05 1 535 65 65 ALA HB H 1.24 0.05 1 536 65 65 ALA C C 179.34 0.15 1 537 65 65 ALA CA C 54.77 0.15 1 538 65 65 ALA CB C 18.88 0.15 1 539 65 65 ALA N N 117.95 0.15 1 540 66 66 THR H H 7.52 0.05 1 541 66 66 THR HA H 3.91 0.05 1 542 66 66 THR HB H 4.03 0.05 1 543 66 66 THR HG2 H 1.03 0.05 1 544 66 66 THR C C 175.94 0.15 1 545 66 66 THR CA C 66.73 0.15 1 546 66 66 THR CB C 68.09 0.15 1 547 66 66 THR CG2 C 21.16 0.15 1 548 66 66 THR N N 113.61 0.15 1 549 67 67 PHE H H 7.32 0.05 1 550 67 67 PHE HA H 4.52 0.05 1 551 67 67 PHE HB2 H 2.87 0.05 2 552 67 67 PHE HB3 H 2.77 0.05 2 553 67 67 PHE C C 179.23 0.15 1 554 67 67 PHE CA C 59.66 0.15 1 555 67 67 PHE CB C 38.18 0.15 1 556 67 67 PHE N N 120.22 0.15 1 557 68 68 VAL H H 8.26 0.05 1 558 68 68 VAL HA H 3.49 0.05 1 559 68 68 VAL HB H 2.05 0.05 1 560 68 68 VAL HG1 H 0.61 0.05 2 561 68 68 VAL HG2 H 0.61 0.05 2 562 68 68 VAL C C 177.65 0.15 1 563 68 68 VAL CA C 66.19 0.15 1 564 68 68 VAL CB C 32.47 0.15 1 565 68 68 VAL CG1 C 20.74 0.15 1 566 68 68 VAL CG2 C 20.74 0.15 1 567 68 68 VAL N N 119.63 0.15 1 568 69 69 PHE H H 8.65 0.05 1 569 69 69 PHE HA H 3.81 0.05 1 570 69 69 PHE HB2 H 3.16 0.05 2 571 69 69 PHE HB3 H 2.96 0.05 2 572 69 69 PHE C C 176.37 0.15 1 573 69 69 PHE CA C 61.84 0.15 1 574 69 69 PHE CB C 39.27 0.15 1 575 69 69 PHE N N 122.97 0.15 1 576 70 70 ASN H H 7.37 0.05 1 577 70 70 ASN HA H 4.41 0.05 1 578 70 70 ASN HB2 H 2.94 0.05 2 579 70 70 ASN HB3 H 2.89 0.05 2 580 70 70 ASN C C 176.22 0.15 1 581 70 70 ASN CA C 55.59 0.15 1 582 70 70 ASN CB C 38.73 0.15 1 583 70 70 ASN N N 112.28 0.15 1 584 71 71 VAL H H 7.38 0.05 1 585 71 71 VAL HA H 3.69 0.05 1 586 71 71 VAL HB H 1.85 0.05 1 587 71 71 VAL HG1 H 0.28 0.05 2 588 71 71 VAL HG2 H 0.63 0.05 2 589 71 71 VAL CA C 64.29 0.15 1 590 71 71 VAL CB C 31.93 0.15 1 591 71 71 VAL CG1 C 22.11 0.15 1 592 71 71 VAL CG2 C 18.5 0.15 1 593 71 71 VAL N N 117.05 0.15 1 594 72 72 PHE H H 8.05 0.05 1 595 72 72 PHE HA H 5.08 0.05 1 596 72 72 PHE HB2 H 3.27 0.05 2 597 72 72 PHE HB3 H 3.3 0.05 2 598 72 72 PHE C C 177.57 0.15 1 599 72 72 PHE CA C 60.21 0.15 1 600 72 72 PHE CB C 40.09 0.15 1 601 72 72 PHE N N 119.94 0.15 1 602 73 73 ASP H H 7.74 0.05 1 603 73 73 ASP HA H 4.4 0.05 1 604 73 73 ASP HB2 H 2.9 0.05 2 605 73 73 ASP HB3 H 2.65 0.05 2 606 73 73 ASP C C 176.4 0.15 1 607 73 73 ASP CA C 52.59 0.15 1 608 73 73 ASP CB C 38.18 0.15 1 609 73 73 ASP N N 116.72 0.15 1 610 74 74 GLU H H 7.76 0.05 1 611 74 74 GLU HA H 3.94 0.05 1 612 74 74 GLU HB2 H 2.08 0.05 2 613 74 74 GLU HB3 H 2.09 0.05 2 614 74 74 GLU HG2 H 2.36 0.05 2 615 74 74 GLU HG3 H 2.57 0.05 2 616 74 74 GLU C C 177.25 0.15 1 617 74 74 GLU CA C 59.66 0.15 1 618 74 74 GLU CB C 31.11 0.15 1 619 74 74 GLU CG C 35.79 0.15 1 620 74 74 GLU N N 128.82 0.15 1 621 75 75 ASN H H 7.93 0.05 1 622 75 75 ASN HA H 4.68 0.05 1 623 75 75 ASN HB2 H 2.86 0.05 2 624 75 75 ASN HB3 H 2.84 0.05 2 625 75 75 ASN C C 174.86 0.15 1 626 75 75 ASN CA C 51.78 0.15 1 627 75 75 ASN CB C 37.1 0.15 1 628 75 75 ASN N N 111.97 0.15 1 629 76 76 LYS H H 7.79 0.05 1 630 76 76 LYS HA H 4.01 0.05 1 631 76 76 LYS HB2 H 1.88 0.05 2 632 76 76 LYS HB3 H 1.84 0.05 2 633 76 76 LYS HG2 H 1.39 0.05 1 634 76 76 LYS HG3 H 1.39 0.05 1 635 76 76 LYS HD2 H 1.6 0.05 1 636 76 76 LYS HD3 H 1.6 0.05 1 637 76 76 LYS HE2 H 2.93 0.05 1 638 76 76 LYS HE3 H 2.93 0.05 1 639 76 76 LYS C C 176.03 0.15 1 640 76 76 LYS CA C 56.4 0.15 1 641 76 76 LYS CB C 28.94 0.15 1 642 76 76 LYS CG C 25.5 0.15 1 643 76 76 LYS CD C 29.32 0.15 1 644 76 76 LYS CE C 41.96 0.15 1 645 76 76 LYS N N 115.16 0.15 1 646 77 77 ASP H H 8.34 0.05 1 647 77 77 ASP HA H 4.71 0.05 1 648 77 77 ASP HB2 H 2.41 0.05 2 649 77 77 ASP HB3 H 2.43 0.05 2 650 77 77 ASP C C 176.03 0.15 1 651 77 77 ASP CA C 52.87 0.15 1 652 77 77 ASP CB C 40.63 0.15 1 653 77 77 ASP N N 117.95 0.15 1 654 78 78 GLY H H 10.53 0.05 1 655 78 78 GLY HA2 H 4.3 0.05 2 656 78 78 GLY HA3 H 3.76 0.05 2 657 78 78 GLY C C 174.19 0.15 1 658 78 78 GLY CA C 46.07 0.15 1 659 78 78 GLY N N 112.52 0.15 1 660 79 79 ARG H H 8.15 0.05 1 661 79 79 ARG HA H 5.24 0.05 1 662 79 79 ARG HB2 H 1.72 0.05 1 663 79 79 ARG HB3 H 1.72 0.05 1 664 79 79 ARG HG2 H 1.55 0.05 2 665 79 79 ARG HG3 H 1.46 0.05 2 666 79 79 ARG HD2 H 3.75 0.05 1 667 79 79 ARG HD3 H 3.75 0.05 1 668 79 79 ARG C C 174.89 0.15 1 669 79 79 ARG CA C 53.41 0.15 1 670 79 79 ARG CB C 34.1 0.15 1 671 79 79 ARG CG C 24.7 0.15 1 672 79 79 ARG N N 118.49 0.15 1 673 80 80 ILE H H 9.84 0.05 1 674 80 80 ILE HA H 4.89 0.05 1 675 80 80 ILE HB H 1.96 0.05 1 676 80 80 ILE HG12 H 1.23 0.05 1 677 80 80 ILE HG13 H 1.23 0.05 1 678 80 80 ILE HG2 H 0.02 0.05 1 679 80 80 ILE HD1 H 0.04 0.05 1 680 80 80 ILE C C 175.75 0.15 1 681 80 80 ILE CA C 59.94 0.15 1 682 80 80 ILE CB C 33.04 0.15 1 683 80 80 ILE N N 125.94 0.15 1 684 81 81 GLU H H 8.69 0.05 1 685 81 81 GLU HA H 5.35 0.05 1 686 81 81 GLU HB2 H 2.02 0.05 2 687 81 81 GLU HB3 H 2.03 0.05 2 688 81 81 GLU HG2 H 2.38 0.05 2 689 81 81 GLU HG3 H 2.44 0.05 2 690 81 81 GLU C C 177.39 0.15 1 691 81 81 GLU CA C 56.4 0.15 1 692 81 81 GLU CB C 30.84 0.15 1 693 81 81 GLU CG C 36.44 0.15 1 694 81 81 GLU N N 126.31 0.15 1 695 82 82 PHE H H 9.91 0.05 1 696 82 82 PHE HA H 3.93 0.05 1 697 82 82 PHE HB2 H 2.91 0.05 2 698 82 82 PHE HB3 H 2.93 0.05 2 699 82 82 PHE C C 176.74 0.15 1 700 82 82 PHE CA C 62.66 0.15 1 701 82 82 PHE CB C 38.18 0.15 1 702 82 82 PHE N N 124.02 0.15 1 703 83 83 SER H H 9.31 0.05 1 704 83 83 SER HA H 4.75 0.05 1 705 83 83 SER HB2 H 3.89 0.05 2 706 83 83 SER HB3 H 3.84 0.05 2 707 83 83 SER C C 176.55 0.15 1 708 83 83 SER CA C 61.57 0.15 1 709 83 83 SER N N 112.19 0.15 1 710 84 84 GLU H H 6.66 0.05 1 711 84 84 GLU HA H 4.08 0.05 1 712 84 84 GLU HB2 H 2.4 0.05 1 713 84 84 GLU HB3 H 2.4 0.05 1 714 84 84 GLU HG2 H 2.57 0.05 2 715 84 84 GLU HG3 H 2.58 0.05 2 716 84 84 GLU C C 178.84 0.15 1 717 84 84 GLU CA C 58.3 0.15 1 718 84 84 GLU CB C 30.3 0.15 1 719 84 84 GLU CG C 36.14 0.15 1 720 84 84 GLU N N 120.34 0.15 1 721 85 85 PHE H H 8.28 0.05 1 722 85 85 PHE HA H 4.37 0.05 1 723 85 85 PHE HB2 H 2.92 0.05 2 724 85 85 PHE HB3 H 2.89 0.05 2 725 85 85 PHE C C 175.72 0.15 1 726 85 85 PHE CA C 62.11 0.15 1 727 85 85 PHE CB C 33.29 0.15 1 728 85 85 PHE N N 121.8 0.15 1 729 86 86 ILE H H 8.55 0.05 1 730 86 86 ILE HA H 3.44 0.05 1 731 86 86 ILE HB H 2.2 0.05 1 732 86 86 ILE HG12 H 0.97 0.05 2 733 86 86 ILE HG13 H 0.9 0.05 2 734 86 86 ILE HG2 H 0.69 0.05 1 735 86 86 ILE HD1 H 0.46 0.05 1 736 86 86 ILE C C 177 0.15 1 737 86 86 ILE CA C 61.02 0.15 1 738 86 86 ILE N N 116.61 0.15 1 739 87 87 GLN H H 7.31 0.05 1 740 87 87 GLN HA H 3.89 0.05 1 741 87 87 GLN HB2 H 2.06 0.05 2 742 87 87 GLN HB3 H 2.04 0.05 2 743 87 87 GLN HG2 H 2.33 0.05 2 744 87 87 GLN HG3 H 2.35 0.05 2 745 87 87 GLN C C 177.52 0.15 1 746 87 87 GLN CA C 59.39 0.15 1 747 87 87 GLN CB C 29.21 0.15 1 748 87 87 GLN CG C 32.25 0.15 1 749 87 87 GLN N N 121.8 0.15 1 750 88 88 ALA H H 7.18 0.05 1 751 88 88 ALA HA H 3.55 0.05 1 752 88 88 ALA HB H 0.98 0.05 1 753 88 88 ALA C C 178.62 0.15 1 754 88 88 ALA CA C 54.77 0.15 1 755 88 88 ALA CB C 16.43 0.15 1 756 88 88 ALA N N 121.39 0.15 1 757 89 89 LEU H H 7.72 0.05 1 758 89 89 LEU HA H 3.96 0.05 1 759 89 89 LEU HB2 H 1.63 0.05 2 760 89 89 LEU HB3 H 1.59 0.05 2 761 89 89 LEU HG H 1 0.05 1 762 89 89 LEU HD1 H 0.42 0.05 2 763 89 89 LEU HD2 H 0.42 0.05 2 764 89 89 LEU C C 179 0.15 1 765 89 89 LEU CA C 57.49 0.15 1 766 89 89 LEU CB C 41.72 0.15 1 767 89 89 LEU N N 118.96 0.15 1 768 90 90 SER H H 7.99 0.05 1 769 90 90 SER HA H 4.16 0.05 1 770 90 90 SER HB2 H 3.84 0.05 2 771 90 90 SER HB3 H 3.76 0.05 2 772 90 90 SER CA C 61.3 0.15 1 773 90 90 SER CB C 62.66 0.15 1 774 90 90 SER N N 113.99 0.15 1 775 91 91 VAL H H 7.59 0.05 1 776 91 91 VAL HA H 3.53 0.05 1 777 91 91 VAL HB H 1.73 0.05 1 778 91 91 VAL HG1 H 0.96 0.05 2 779 91 91 VAL HG2 H 0.58 0.05 2 780 91 91 VAL C C 177.54 0.15 1 781 91 91 VAL CA C 59.66 0.15 1 782 91 91 VAL CB C 33.56 0.15 1 783 91 91 VAL N N 117.41 0.15 1 784 92 92 THR H H 7.28 0.05 1 785 92 92 THR HA H 3.63 0.05 1 786 92 92 THR HB H 3.91 0.05 1 787 92 92 THR HG2 H 0.96 0.05 1 788 92 92 THR C C 176.09 0.15 1 789 92 92 THR CA C 65.1 0.15 1 790 92 92 THR CB C 69.64 0.15 1 791 92 92 THR CG2 C 20.76 0.15 1 792 92 92 THR N N 106.35 0.15 1 793 93 93 SER H H 7.87 0.05 1 794 93 93 SER HA H 4.19 0.05 1 795 93 93 SER HB2 H 3.86 0.05 2 796 93 93 SER HB3 H 3.9 0.05 2 797 93 93 SER C C 176.61 0.15 1 798 93 93 SER CA C 59.94 0.15 1 799 93 93 SER CB C 65.1 0.15 1 800 93 93 SER N N 113.85 0.15 1 801 94 94 ARG H H 7.87 0.05 1 802 94 94 ARG HA H 4.14 0.05 1 803 94 94 ARG HB2 H 1.78 0.05 1 804 94 94 ARG HB3 H 1.78 0.05 1 805 94 94 ARG HG2 H 1.53 0.05 2 806 94 94 ARG HG3 H 1.46 0.05 2 807 94 94 ARG HD2 H 3.26 0.05 1 808 94 94 ARG HD3 H 3.26 0.05 1 809 94 94 ARG C C 174.89 0.15 1 810 94 94 ARG CA C 55.86 0.15 1 811 94 94 ARG CB C 30.94 0.15 1 812 94 94 ARG CG C 26.98 0.15 1 813 94 94 ARG CD C 43.26 0.15 1 814 94 94 ARG N N 120.84 0.15 1 815 95 95 GLY H H 7.49 0.05 1 816 95 95 GLY HA2 H 3.89 0.05 2 817 95 95 GLY HA3 H 4.22 0.05 2 818 95 95 GLY C C 174.21 0.15 1 819 95 95 GLY CA C 45.8 0.15 1 820 95 95 GLY N N 106.66 0.15 1 821 96 96 THR H H 8.72 0.05 1 822 96 96 THR HA H 4.29 0.05 1 823 96 96 THR HB H 4.23 0.05 1 824 96 96 THR HG2 H 1.35 0.05 1 825 96 96 THR C C 175.21 0.15 1 826 96 96 THR CA C 61.3 0.15 1 827 96 96 THR CB C 70.81 0.15 1 828 96 96 THR CG2 C 22.16 0.15 1 829 96 96 THR N N 111.12 0.15 1 830 97 97 LEU H H 8.82 0.05 1 831 97 97 LEU HA H 4.04 0.05 1 832 97 97 LEU HB2 H 1.73 0.05 2 833 97 97 LEU HB3 H 1.67 0.05 2 834 97 97 LEU HG H 1.36 0.05 1 835 97 97 LEU HD1 H 0.94 0.05 2 836 97 97 LEU HD2 H 0.94 0.05 2 837 97 97 LEU C C 178.59 0.15 1 838 97 97 LEU CA C 59.12 0.15 1 839 97 97 LEU CB C 41.17 0.15 1 840 97 97 LEU CG C 26.7 0.15 1 841 97 97 LEU CD1 C 23.42 0.15 2 842 97 97 LEU CD2 C 23.53 0.15 2 843 97 97 LEU N N 122.2 0.15 1 844 98 98 ASP H H 8.22 0.05 1 845 98 98 ASP HA H 4.34 0.05 1 846 98 98 ASP HB2 H 2.54 0.05 2 847 98 98 ASP HB3 H 2.56 0.05 2 848 98 98 ASP C C 180.14 0.15 1 849 98 98 ASP CA C 58.03 0.15 1 850 98 98 ASP CB C 41.45 0.15 1 851 98 98 ASP N N 115.66 0.15 1 852 99 99 GLU H H 7.7 0.05 1 853 99 99 GLU HA H 4.04 0.05 1 854 99 99 GLU C C 179.96 0.15 1 855 99 99 GLU CA C 59.39 0.15 1 856 99 99 GLU CB C 30.3 0.15 1 857 99 99 GLU CG C 34.41 0.15 1 858 99 99 GLU N N 118.72 0.15 1 859 100 100 LYS H H 8.85 0.05 1 860 100 100 LYS HA H 3.88 0.05 1 861 100 100 LYS HB2 H 1.92 0.05 2 862 100 100 LYS HB3 H 1.96 0.05 2 863 100 100 LYS HG2 H 1.46 0.05 2 864 100 100 LYS HG3 H 1.57 0.05 2 865 100 100 LYS HD2 H 1.61 0.05 1 866 100 100 LYS HD3 H 1.61 0.05 1 867 100 100 LYS HE2 H 2.87 0.05 2 868 100 100 LYS HE3 H 2.88 0.05 2 869 100 100 LYS C C 179.71 0.15 1 870 100 100 LYS CA C 60.75 0.15 1 871 100 100 LYS CB C 33.56 0.15 1 872 100 100 LYS CG C 20.63 0.15 1 873 100 100 LYS CD C 27.63 0.15 1 874 100 100 LYS CE C 43.2 0.15 1 875 100 100 LYS N N 120.04 0.15 1 876 101 101 LEU H H 8.9 0.05 1 877 101 101 LEU HA H 4.31 0.05 1 878 101 101 LEU HB2 H 2.17 0.05 2 879 101 101 LEU HB3 H 1.91 0.05 2 880 101 101 LEU HG H 1.54 0.05 1 881 101 101 LEU HD1 H 0.93 0.05 2 882 101 101 LEU HD2 H 0.93 0.05 2 883 101 101 LEU C C 172.83 0.15 1 884 101 101 LEU CA C 58.3 0.15 1 885 101 101 LEU CB C 42.53 0.15 1 886 101 101 LEU CG C 26.7 0.15 1 887 101 101 LEU CD1 C 24.96 0.15 2 888 101 101 LEU CD2 C 23.48 0.15 2 889 101 101 LEU N N 119.82 0.15 1 890 102 102 ARG H H 8.02 0.05 1 891 102 102 ARG HA H 4.47 0.05 1 892 102 102 ARG HB2 H 1.91 0.05 2 893 102 102 ARG HB3 H 1.9 0.05 2 894 102 102 ARG HG2 H 1.55 0.05 2 895 102 102 ARG HG3 H 1.56 0.05 2 896 102 102 ARG HD2 H 3.13 0.05 1 897 102 102 ARG HD3 H 3.13 0.05 1 898 102 102 ARG C C 178.85 0.15 1 899 102 102 ARG CA C 59.94 0.15 1 900 102 102 ARG CB C 30.47 0.15 1 901 102 102 ARG CG C 26.7 0.15 1 902 102 102 ARG CD C 43.33 0.15 1 903 102 102 ARG N N 118.74 0.15 1 904 103 103 TRP H H 7.92 0.05 1 905 103 103 TRP HA H 4.02 0.05 1 906 103 103 TRP HB2 H 3.38 0.05 2 907 103 103 TRP HB3 H 3.18 0.05 2 908 103 103 TRP HE1 H 9.96 0.05 1 909 103 103 TRP C C 177.72 0.15 1 910 103 103 TRP CA C 62.11 0.15 1 911 103 103 TRP CB C 30.03 0.15 1 912 103 103 TRP N N 121.65 0.15 1 913 103 103 TRP NE1 N 128.03 0.15 1 914 104 104 ALA H H 8.92 0.05 1 915 104 104 ALA HA H 4 0.05 1 916 104 104 ALA HB H 1.43 0.05 1 917 104 104 ALA C C 178.47 0.15 1 918 104 104 ALA CA C 55.12 0.15 1 919 104 104 ALA CB C 18.88 0.15 1 920 104 104 ALA N N 119.67 0.15 1 921 105 105 PHE H H 8.56 0.05 1 922 105 105 PHE HA H 4.26 0.05 1 923 105 105 PHE HB2 H 2.78 0.05 1 924 105 105 PHE HB3 H 2.76 0.05 1 925 105 105 PHE C C 175.84 0.15 1 926 105 105 PHE CA C 62.38 0.15 1 927 105 105 PHE CB C 39.54 0.15 1 928 105 105 PHE N N 118.31 0.15 1 929 106 106 LYS H H 7.14 0.05 1 930 106 106 LYS HA H 3.86 0.05 1 931 106 106 LYS HB2 H 1.79 0.05 2 932 106 106 LYS HB3 H 1.81 0.05 2 933 106 106 LYS HG2 H 1.61 0.05 2 934 106 106 LYS HG3 H 1.6 0.05 2 935 106 106 LYS HD2 H 1.67 0.05 2 936 106 106 LYS HD3 H 1.66 0.05 2 937 106 106 LYS HE2 H 3.13 0.05 1 938 106 106 LYS HE3 H 3.13 0.05 1 939 106 106 LYS C C 177.84 0.15 1 940 106 106 LYS CA C 58.58 0.15 1 941 106 106 LYS CB C 32.47 0.15 1 942 106 106 LYS CG C 24.83 0.15 1 943 106 106 LYS CD C 29.3 0.15 1 944 106 106 LYS CE C 41.97 0.15 1 945 106 106 LYS N N 114.34 0.15 1 946 107 107 LEU H H 7.24 0.05 1 947 107 107 LEU HA H 3.59 0.05 1 948 107 107 LEU HB2 H 1.58 0.05 2 949 107 107 LEU HB3 H 1.59 0.05 2 950 107 107 LEU HG H 1.49 0.05 1 951 107 107 LEU HD1 H 0.7 0.05 2 952 107 107 LEU HD2 H 0.7 0.05 2 953 107 107 LEU C C 176.21 0.15 1 954 107 107 LEU CA C 56.95 0.15 1 955 107 107 LEU CB C 41.17 0.15 1 956 107 107 LEU CG C 29.28 0.15 1 957 107 107 LEU CD1 C 24.93 0.15 1 958 107 107 LEU CD2 C 24.93 0.15 1 959 107 107 LEU N N 118.91 0.15 1 960 108 108 TYR H H 7.32 0.05 1 961 108 108 TYR HA H 4.77 0.05 1 962 108 108 TYR HB2 H 2.98 0.05 2 963 108 108 TYR HB3 H 2.96 0.05 2 964 108 108 TYR C C 175.37 0.15 1 965 108 108 TYR CA C 59.66 0.15 1 966 108 108 TYR CB C 39.81 0.15 1 967 108 108 TYR N N 113.04 0.15 1 968 109 109 ASP H H 7.53 0.05 1 969 109 109 ASP HA H 4.43 0.05 1 970 109 109 ASP HB2 H 2.48 0.05 2 971 109 109 ASP HB3 H 2.49 0.05 2 972 109 109 ASP C C 177.71 0.15 1 973 109 109 ASP CA C 51.78 0.15 1 974 109 109 ASP CB C 38.18 0.15 1 975 109 109 ASP N N 114.47 0.15 1 976 110 110 LEU H H 7.48 0.05 1 977 110 110 LEU HA H 3.93 0.05 1 978 110 110 LEU HB2 H 1.76 0.05 2 979 110 110 LEU HB3 H 1.59 0.05 2 980 110 110 LEU HG H 1.4 0.05 1 981 110 110 LEU HD1 H 0.79 0.05 2 982 110 110 LEU HD2 H 0.79 0.05 2 983 110 110 LEU C C 179.19 0.15 1 984 110 110 LEU CA C 58.03 0.15 1 985 110 110 LEU CB C 43.08 0.15 1 986 110 110 LEU CG C 27.02 0.15 1 987 110 110 LEU CD1 C 25.11 0.15 1 988 110 110 LEU CD2 C 23.48 0.15 1 989 110 110 LEU N N 124.96 0.15 1 990 111 111 ASP H H 8.19 0.05 1 991 111 111 ASP HA H 4.56 0.05 1 992 111 111 ASP HB2 H 3.1 0.05 2 993 111 111 ASP HB3 H 2.54 0.05 2 994 111 111 ASP C C 176.72 0.15 1 995 111 111 ASP CA C 52.59 0.15 1 996 111 111 ASP CB C 39.81 0.15 1 997 111 111 ASP N N 114.38 0.15 1 998 112 112 ASN H H 8.11 0.05 1 999 112 112 ASN HA H 4.35 0.05 1 1000 112 112 ASN HB2 H 2.56 0.05 2 1001 112 112 ASN HB3 H 2.52 0.05 2 1002 112 112 ASN C C 174.88 0.15 1 1003 112 112 ASN CA C 54.5 0.15 1 1004 112 112 ASN CB C 38.45 0.15 1 1005 112 112 ASN N N 117.13 0.15 1 1006 113 113 ASP H H 8.67 0.05 1 1007 113 113 ASP HA H 4.59 0.05 1 1008 113 113 ASP HB2 H 3.15 0.05 2 1009 113 113 ASP HB3 H 2.57 0.05 2 1010 113 113 ASP C C 177.44 0.15 1 1011 113 113 ASP CA C 53.68 0.15 1 1012 113 113 ASP CB C 41.45 0.15 1 1013 113 113 ASP N N 119.55 0.15 1 1014 114 114 GLY H H 10.65 0.05 1 1015 114 114 GLY HA2 H 4.05 0.05 2 1016 114 114 GLY HA3 H 3.41 0.05 2 1017 114 114 GLY C C 172.49 0.15 1 1018 114 114 GLY CA C 44.98 0.15 1 1019 114 114 GLY N N 113.16 0.15 1 1020 115 115 TYR H H 8.25 0.05 1 1021 115 115 TYR HA H 5.41 0.05 1 1022 115 115 TYR HB2 H 2.51 0.05 2 1023 115 115 TYR HB3 H 2.95 0.05 2 1024 115 115 TYR C C 175.6 0.15 1 1025 115 115 TYR CA C 55.59 0.15 1 1026 115 115 TYR CB C 42.26 0.15 1 1027 115 115 TYR N N 117.27 0.15 1 1028 116 116 ILE H H 9.61 0.05 1 1029 116 116 ILE HA H 4.82 0.05 1 1030 116 116 ILE HB H 1.62 0.05 1 1031 116 116 ILE HG12 H 0.97 0.05 1 1032 116 116 ILE HG13 H 0.97 0.05 1 1033 116 116 ILE HD1 H -0.01 0.05 9 1034 116 116 ILE C C 177.3 0.15 1 1035 116 116 ILE CA C 60.48 0.15 1 1036 116 116 ILE N N 124.95 0.15 1 1037 117 117 THR H H 9.49 0.05 1 1038 117 117 THR HA H 5 0.05 1 1039 117 117 THR HB H 4.17 0.05 1 1040 117 117 THR HG2 H 1.33 0.05 1 1041 117 117 THR C C 175.95 0.15 1 1042 117 117 THR CA C 60.75 0.15 1 1043 117 117 THR CB C 71.08 0.15 1 1044 117 117 THR CG2 C 21.37 0.15 1 1045 117 117 THR N N 119.65 0.15 1 1046 118 118 ARG H H 8.22 0.05 1 1047 118 118 ARG HA H 4.06 0.05 1 1048 118 118 ARG HB2 H 1.63 0.05 1 1049 118 118 ARG HB3 H 1.63 0.05 1 1050 118 118 ARG HG2 H 1.22 0.05 2 1051 118 118 ARG HG3 H 1.21 0.05 2 1052 118 118 ARG C C 177.6 0.15 1 1053 118 118 ARG CA C 60.48 0.15 1 1054 118 118 ARG N N 121.28 0.15 1 1055 119 119 ASN H H 8.29 0.05 1 1056 119 119 ASN HA H 4.31 0.05 1 1057 119 119 ASN HB2 H 2.75 0.05 2 1058 119 119 ASN HB3 H 2.66 0.05 2 1059 119 119 ASN C C 177.73 0.15 1 1060 119 119 ASN CA C 56.4 0.15 1 1061 119 119 ASN CB C 37.91 0.15 1 1062 119 119 ASN N N 114.35 0.15 1 1063 120 120 GLU H H 7.48 0.05 1 1064 120 120 GLU HA H 4.03 0.05 1 1065 120 120 GLU HB2 H 2.05 0.05 2 1066 120 120 GLU HB3 H 2.06 0.05 2 1067 120 120 GLU HG2 H 2.51 0.05 2 1068 120 120 GLU HG3 H 2.5 0.05 2 1069 120 120 GLU C C 177.42 0.15 1 1070 120 120 GLU CA C 59.39 0.15 1 1071 120 120 GLU CB C 29.21 0.15 1 1072 120 120 GLU CG C 36.2 0.15 1 1073 120 120 GLU N N 121.07 0.15 1 1074 121 121 MET H H 8.07 0.05 1 1075 121 121 MET HA H 4.3 0.05 1 1076 121 121 MET HB2 H 2.09 0.05 2 1077 121 121 MET HB3 H 2.11 0.05 2 1078 121 121 MET HG2 H 2.28 0.05 2 1079 121 121 MET HG3 H 2.27 0.05 2 1080 121 121 MET C C 177.92 0.15 1 1081 121 121 MET CA C 59.12 0.15 1 1082 121 121 MET CB C 32.74 0.15 1 1083 121 121 MET N N 115.74 0.15 1 1084 122 122 LEU H H 8.74 0.05 1 1085 122 122 LEU HA H 3.87 0.05 1 1086 122 122 LEU HB2 H 1.76 0.05 2 1087 122 122 LEU HB3 H 1.63 0.05 2 1088 122 122 LEU HG H 1.58 0.05 1 1089 122 122 LEU HD1 H 0.9 0.05 2 1090 122 122 LEU HD2 H 0.9 0.05 2 1091 122 122 LEU C C 177.66 0.15 1 1092 122 122 LEU CA C 58.58 0.15 1 1093 122 122 LEU CB C 41.99 0.15 1 1094 122 122 LEU CG C 26.95 0.15 1 1095 122 122 LEU CD1 C 25.01 0.15 2 1096 122 122 LEU N N 118.66 0.15 1 1097 123 123 ASP H H 7.62 0.05 1 1098 123 123 ASP HA H 4.59 0.05 1 1099 123 123 ASP HB2 H 2.54 0.05 2 1100 123 123 ASP HB3 H 2.84 0.05 2 1101 123 123 ASP C C 179.6 0.15 1 1102 123 123 ASP CA C 58.03 0.15 1 1103 123 123 ASP CB C 40.63 0.15 1 1104 123 123 ASP N N 119.69 0.15 1 1105 124 124 ILE H H 7.57 0.05 1 1106 124 124 ILE HA H 4.48 0.05 1 1107 124 124 ILE HB H 1.73 0.05 1 1108 124 124 ILE HG12 H 1.27 0.05 2 1109 124 124 ILE HG2 H 0.66 0.05 1 1110 124 124 ILE HD1 H 0.64 0.05 1 1111 124 124 ILE C C 178 0.15 1 1112 124 124 ILE CA C 62.66 0.15 1 1113 124 124 ILE CB C 35.46 0.15 1 1114 124 124 ILE N N 118.2 0.15 1 1115 125 125 VAL H H 9.07 0.05 1 1116 125 125 VAL HA H 3.62 0.05 1 1117 125 125 VAL HB H 1.92 0.05 1 1118 125 125 VAL HG1 H 0.76 0.05 2 1119 125 125 VAL HG2 H 1.11 0.05 2 1120 125 125 VAL C C 178.21 0.15 1 1121 125 125 VAL CA C 67.55 0.15 1 1122 125 125 VAL CG1 C 19.99 0.15 1 1123 125 125 VAL CG2 C 20.52 0.15 1 1124 125 125 VAL N N 120.61 0.15 1 1125 126 126 ASP H H 9.17 0.05 1 1126 126 126 ASP HA H 4.3 0.05 1 1127 126 126 ASP HB2 H 2.8 0.05 2 1128 126 126 ASP HB3 H 2.81 0.05 2 1129 126 126 ASP C C 177.92 0.15 1 1130 126 126 ASP CA C 58.3 0.15 1 1131 126 126 ASP CB C 43.08 0.15 1 1132 126 126 ASP N N 119.97 0.15 1 1133 127 127 ALA H H 7.82 0.05 1 1134 127 127 ALA HA H 4.26 0.05 1 1135 127 127 ALA HB H 1.38 0.05 1 1136 127 127 ALA C C 181 0.15 1 1137 127 127 ALA CA C 55.59 0.15 1 1138 127 127 ALA CB C 18.61 0.15 1 1139 127 127 ALA N N 120.27 0.15 1 1140 128 128 ILE H H 8.98 0.05 1 1141 128 128 ILE HA H 4.16 0.05 1 1142 128 128 ILE HB H 1.94 0.05 1 1143 128 128 ILE HG12 H 1.28 0.05 1 1144 128 128 ILE HG13 H 1.28 0.05 1 1145 128 128 ILE HG2 H 0.79 0.05 1 1146 128 128 ILE HD1 H 0.81 0.05 1 1147 128 128 ILE C C 177.42 0.15 1 1148 128 128 ILE CA C 66.19 0.15 1 1149 128 128 ILE CB C 38.58 0.15 1 1150 128 128 ILE CG1 C 26.77 0.15 1 1151 128 128 ILE CG2 C 17.3 0.15 1 1152 128 128 ILE CD1 C 12.93 0.15 1 1153 128 128 ILE N N 122.58 0.15 1 1154 129 129 TYR H H 9.19 0.05 1 1155 129 129 TYR HA H 4.23 0.05 1 1156 129 129 TYR HB2 H 3.42 0.05 2 1157 129 129 TYR HB3 H 3.05 0.05 2 1158 129 129 TYR C C 180.09 0.15 1 1159 129 129 TYR CA C 61.02 0.15 1 1160 129 129 TYR CB C 36.55 0.15 1 1161 129 129 TYR N N 122.31 0.15 1 1162 130 130 GLN H H 8.58 0.05 1 1163 130 130 GLN HA H 4.18 0.05 1 1164 130 130 GLN HB2 H 1.98 0.05 2 1165 130 130 GLN HB3 H 1.92 0.05 2 1166 130 130 GLN HG2 H 2.42 0.05 2 1167 130 130 GLN HG3 H 2.57 0.05 2 1168 130 130 GLN C C 178.31 0.15 1 1169 130 130 GLN CA C 59.12 0.15 1 1170 130 130 GLN CB C 29.48 0.15 1 1171 130 130 GLN CG C 32.45 0.15 1 1172 130 130 GLN N N 118.28 0.15 1 1173 131 131 MET H H 7.77 0.05 1 1174 131 131 MET HA H 4.21 0.05 1 1175 131 131 MET HB2 H 1.99 0.05 1 1176 131 131 MET HB3 H 1.99 0.05 1 1177 131 131 MET HG2 H 2.21 0.05 2 1178 131 131 MET HG3 H 2.22 0.05 2 1179 131 131 MET C C 176.38 0.15 1 1180 131 131 MET CA C 59.12 0.15 1 1181 131 131 MET CB C 34.92 0.15 1 1182 131 131 MET N N 120.98 0.15 1 1183 132 132 VAL H H 8.31 0.05 1 1184 132 132 VAL HA H 3.99 0.05 1 1185 132 132 VAL HB H 2.07 0.05 1 1186 132 132 VAL HG1 H 0.83 0.05 2 1187 132 132 VAL HG2 H 0.84 0.05 2 1188 132 132 VAL C C 178.08 0.15 1 1189 132 132 VAL CA C 63.74 0.15 1 1190 132 132 VAL CB C 32.86 0.15 1 1191 132 132 VAL CG1 C 21.15 0.15 2 1192 132 132 VAL CG2 C 21.25 0.15 2 1193 132 132 VAL N N 113.38 0.15 1 1194 133 133 GLY H H 7.89 0.05 1 1195 133 133 GLY HA2 H 3.85 0.05 2 1196 133 133 GLY HA3 H 4.03 0.05 2 1197 133 133 GLY C C 173.97 0.15 1 1198 133 133 GLY CA C 46.34 0.15 1 1199 133 133 GLY N N 108.19 0.15 1 1200 134 134 ASN H H 8.57 0.05 1 1201 134 134 ASN HA H 4.91 0.05 1 1202 134 134 ASN HB2 H 2.88 0.05 2 1203 134 134 ASN HB3 H 2.89 0.05 2 1204 134 134 ASN C C 176.32 0.15 1 1205 134 134 ASN CA C 53.14 0.15 1 1206 134 134 ASN CB C 38.45 0.15 1 1207 134 134 ASN N N 118.97 0.15 1 1208 135 135 THR H H 8.11 0.05 1 1209 135 135 THR HA H 4.22 0.05 1 1210 135 135 THR HB H 4.31 0.05 1 1211 135 135 THR HG2 H 1.23 0.05 1 1212 135 135 THR C C 174.64 0.15 1 1213 135 135 THR CA C 63.2 0.15 1 1214 135 135 THR CB C 69.72 0.15 1 1215 135 135 THR CG2 C 21.96 0.15 1 1216 135 135 THR N N 110.81 0.15 1 1217 136 136 VAL H H 7.4 0.05 1 1218 136 136 VAL HA H 4.24 0.05 1 1219 136 136 VAL HB H 1.95 0.05 1 1220 136 136 VAL HG1 H 0.83 0.05 2 1221 136 136 VAL HG2 H 0.82 0.05 2 1222 136 136 VAL C C 175.03 0.15 1 1223 136 136 VAL CA C 61.02 0.15 1 1224 136 136 VAL CB C 33.83 0.15 1 1225 136 136 VAL CG1 C 20.55 0.15 2 1226 136 136 VAL CG2 C 20.52 0.15 2 1227 136 136 VAL N N 118.14 0.15 1 1228 137 137 GLU H H 8.36 0.05 1 1229 137 137 GLU HA H 4.29 0.05 1 1230 137 137 GLU HB2 H 1.85 0.05 2 1231 137 137 GLU HB3 H 1.97 0.05 2 1232 137 137 GLU HG2 H 2.21 0.05 1 1233 137 137 GLU HG3 H 2.21 0.05 1 1234 137 137 GLU C C 175.93 0.15 1 1235 137 137 GLU CA C 55.86 0.15 1 1236 137 137 GLU CB C 30.03 0.15 1 1237 137 137 GLU CG C 36.01 0.15 1 1238 137 137 GLU N N 123.6 0.15 1 1239 138 138 LEU H H 8.26 0.05 1 1240 138 138 LEU HA H 4.56 0.05 1 1241 138 138 LEU HB2 H 1.52 0.05 2 1242 138 138 LEU HB3 H 1.15 0.05 2 1243 138 138 LEU HG H 1.51 0.05 1 1244 138 138 LEU HD1 H 0.66 0.05 2 1245 138 138 LEU HD2 H 0.66 0.05 2 1246 138 138 LEU CA C 52.32 0.15 1 1247 138 138 LEU CB C 42.26 0.15 1 1248 138 138 LEU CG C 29.19 0.15 1 1249 138 138 LEU CD1 C 25.4 0.15 1 1250 138 138 LEU CD2 C 25.4 0.15 1 1251 138 138 LEU N N 126.14 0.15 1 1252 139 139 PRO HA H 4.45 0.05 1 1253 139 139 PRO C C 177.95 0.15 1 1254 139 139 PRO CA C 62.66 0.15 1 1255 139 139 PRO CB C 32.2 0.15 1 1256 140 140 GLU H H 8.81 0.05 1 1257 140 140 GLU HA H 3.92 0.05 1 1258 140 140 GLU HB2 H 1.96 0.05 2 1259 140 140 GLU HB3 H 2.06 0.05 2 1260 140 140 GLU HG2 H 2.35 0.05 2 1261 140 140 GLU HG3 H 2.26 0.05 2 1262 140 140 GLU C C 178.13 0.15 1 1263 140 140 GLU CA C 59.66 0.15 1 1264 140 140 GLU CB C 29.75 0.15 1 1265 140 140 GLU CG C 33.94 0.15 1 1266 140 140 GLU N N 124.54 0.15 1 1267 141 141 GLU H H 9.12 0.05 1 1268 141 141 GLU HA H 4.16 0.05 1 1269 141 141 GLU HB2 H 1.99 0.05 2 1270 141 141 GLU HB3 H 2.08 0.05 2 1271 141 141 GLU HG2 H 2.36 0.05 2 1272 141 141 GLU HG3 H 2.33 0.05 2 1273 141 141 GLU C C 176.28 0.15 1 1274 141 141 GLU CA C 58.3 0.15 1 1275 141 141 GLU CB C 29.48 0.15 1 1276 141 141 GLU CG C 33.77 0.15 1 1277 141 141 GLU N N 114.42 0.15 1 1278 142 142 GLU H H 7.99 0.05 1 1279 142 142 GLU HA H 4.55 0.05 1 1280 142 142 GLU HB2 H 1.76 0.05 2 1281 142 142 GLU HB3 H 1.84 0.05 2 1282 142 142 GLU HG2 H 2.26 0.05 2 1283 142 142 GLU HG3 H 2.27 0.05 2 1284 142 142 GLU C C 175.98 0.15 1 1285 142 142 GLU CA C 54.77 0.15 1 1286 142 142 GLU CB C 31.39 0.15 1 1287 142 142 GLU CG C 36.92 0.15 1 1288 142 142 GLU N N 115.54 0.15 1 1289 143 143 ASN H H 7.56 0.05 1 1290 143 143 ASN HA H 4.48 0.05 1 1291 143 143 ASN HB2 H 2.91 0.05 2 1292 143 143 ASN HB3 H 2.89 0.05 2 1293 143 143 ASN C C 174.73 0.15 1 1294 143 143 ASN CA C 54.5 0.15 1 1295 143 143 ASN CB C 37.37 0.15 1 1296 143 143 ASN N N 118.49 0.15 1 1297 144 144 THR H H 7.39 0.05 1 1298 144 144 THR HA H 4.59 0.05 1 1299 144 144 THR HB H 4.5 0.05 1 1300 144 144 THR HG2 H 1.27 0.05 1 1301 144 144 THR CA C 58.3 0.15 1 1302 144 144 THR CB C 70 0.15 1 1303 144 144 THR CG2 C 18.36 0.15 1 1304 144 144 THR N N 108.84 0.15 1 1305 145 145 PRO C C 177.25 0.15 1 1306 145 145 PRO CA C 65.37 0.15 1 1307 145 145 PRO CB C 32.2 0.15 1 1308 146 146 GLU H H 8.79 0.05 1 1309 146 146 GLU HA H 3.69 0.05 1 1310 146 146 GLU HB2 H 2.19 0.05 2 1311 146 146 GLU HB3 H 2.2 0.05 2 1312 146 146 GLU HG2 H 2.34 0.05 1 1313 146 146 GLU HG3 H 2.34 0.05 1 1314 146 146 GLU C C 178.09 0.15 1 1315 146 146 GLU CA C 60.75 0.15 1 1316 146 146 GLU CB C 29.21 0.15 1 1317 146 146 GLU CG C 35.83 0.15 1 1318 146 146 GLU N N 116.13 0.15 1 1319 147 147 LYS H H 7.59 0.05 1 1320 147 147 LYS HA H 4.14 0.05 1 1321 147 147 LYS HB2 H 1.92 0.05 2 1322 147 147 LYS HB3 H 1.9 0.05 2 1323 147 147 LYS HG2 H 1.49 0.05 2 1324 147 147 LYS HG3 H 1.5 0.05 2 1325 147 147 LYS HD2 H 1.72 0.05 1 1326 147 147 LYS HD3 H 1.72 0.05 1 1327 147 147 LYS HE2 H 2.93 0.05 1 1328 147 147 LYS HE3 H 2.93 0.05 1 1329 147 147 LYS C C 179.91 0.15 1 1330 147 147 LYS CA C 54.5 0.15 1 1331 147 147 LYS CB C 33.56 0.15 1 1332 147 147 LYS CG C 24.07 0.15 1 1333 147 147 LYS CD C 29.2 0.15 1 1334 147 147 LYS N N 117.92 0.15 1 1335 148 148 ARG H H 7.84 0.05 1 1336 148 148 ARG HA H 4.08 0.05 1 1337 148 148 ARG HB2 H 2.09 0.05 2 1338 148 148 ARG HB3 H 2.07 0.05 2 1339 148 148 ARG HG2 H 1.71 0.05 2 1340 148 148 ARG HG3 H 1.72 0.05 2 1341 148 148 ARG HD2 H 3.13 0.05 1 1342 148 148 ARG HD3 H 3.13 0.05 1 1343 148 148 ARG C C 177.74 0.15 1 1344 148 148 ARG CA C 59.12 0.15 1 1345 148 148 ARG CB C 29.75 0.15 1 1346 148 148 ARG CG C 24.87 0.15 1 1347 148 148 ARG CD C 43.09 0.15 1 1348 148 148 ARG N N 119.1 0.15 1 1349 149 149 VAL H H 8.63 0.05 1 1350 149 149 VAL HA H 3.65 0.05 1 1351 149 149 VAL HB H 2.09 0.05 1 1352 149 149 VAL HG1 H 0.79 0.05 2 1353 149 149 VAL HG2 H 0.98 0.05 2 1354 149 149 VAL C C 179.96 0.15 1 1355 149 149 VAL CA C 67.28 0.15 1 1356 149 149 VAL CB C 31.66 0.15 1 1357 149 149 VAL CG1 C 20.4 0.15 2 1358 149 149 VAL CG2 C 21.29 0.15 2 1359 149 149 VAL N N 118.5 0.15 1 1360 150 150 ASP H H 8.46 0.05 1 1361 150 150 ASP HA H 4.49 0.05 1 1362 150 150 ASP HB2 H 2.83 0.05 2 1363 150 150 ASP HB3 H 2.66 0.05 2 1364 150 150 ASP CA C 58.03 0.15 1 1365 150 150 ASP CB C 40.36 0.15 1 1366 150 150 ASP N N 119.94 0.15 1 1367 151 151 ARG H H 7.8 0.15 1 1368 151 151 ARG C C 178.93 0.15 1 1369 151 151 ARG CA C 59.66 0.15 1 1370 151 151 ARG CB C 30.03 0.15 1 1371 152 152 ILE H H 8.43 0.05 1 1372 152 152 ILE HA H 3.73 0.05 1 1373 152 152 ILE HB H 1.8 0.05 1 1374 152 152 ILE HG12 H 1.13 0.05 2 1375 152 152 ILE HD1 H 0.77 0.05 1 1376 152 152 ILE C C 178.63 0.15 1 1377 152 152 ILE CA C 65.37 0.15 1 1378 152 152 ILE CB C 38.18 0.15 1 1379 152 152 ILE N N 120.48 0.15 1 1380 153 153 PHE H H 9.2 0.05 1 1381 153 153 PHE HA H 4.49 0.05 1 1382 153 153 PHE HB2 H 3.27 0.05 2 1383 153 153 PHE HB3 H 3.11 0.05 2 1384 153 153 PHE C C 178.32 0.15 1 1385 153 153 PHE CA C 63.74 0.15 1 1386 153 153 PHE CB C 38.45 0.15 1 1387 153 153 PHE N N 120.18 0.15 1 1388 154 154 ALA H H 8.14 0.05 1 1389 154 154 ALA HA H 4.17 0.05 1 1390 154 154 ALA HB H 1.56 0.05 1 1391 154 154 ALA C C 179.9 0.15 1 1392 154 154 ALA CA C 55.31 0.15 1 1393 154 154 ALA CB C 18.33 0.15 1 1394 154 154 ALA N N 120.65 0.15 1 1395 155 155 MET H H 7.6 0.05 1 1396 155 155 MET HA H 4.31 0.05 1 1397 155 155 MET HB2 H 2.19 0.05 2 1398 155 155 MET HB3 H 2.09 0.05 2 1399 155 155 MET HG2 H 2.37 0.05 2 1400 155 155 MET HG3 H 2.38 0.05 2 1401 155 155 MET C C 177.91 0.15 1 1402 155 155 MET CA C 57.49 0.15 1 1403 155 155 MET CB C 34.1 0.15 1 1404 155 155 MET CG C 28.11 0.15 1 1405 155 155 MET N N 113.91 0.15 1 1406 156 156 MET H H 8.33 0.05 1 1407 156 156 MET HA H 4.5 0.05 1 1408 156 156 MET HB2 H 1.83 0.05 2 1409 156 156 MET HB3 H 1.76 0.05 2 1410 156 156 MET HG2 H 2.22 0.05 1 1411 156 156 MET HG3 H 2.22 0.05 1 1412 156 156 MET C C 176.96 0.15 1 1413 156 156 MET CA C 57.49 0.15 1 1414 156 156 MET CB C 34.65 0.15 1 1415 156 156 MET N N 113.46 0.15 1 1416 157 157 ASP H H 8.46 0.05 1 1417 157 157 ASP HA H 4.62 0.05 1 1418 157 157 ASP HB2 H 2.27 0.05 2 1419 157 157 ASP HB3 H 3.28 0.05 2 1420 157 157 ASP C C 177.6 0.15 1 1421 157 157 ASP CA C 53.14 0.15 1 1422 157 157 ASP CB C 39.27 0.15 1 1423 157 157 ASP N N 118.89 0.15 1 1424 158 158 LYS H H 7.85 0.05 1 1425 158 158 LYS HA H 4.06 0.05 1 1426 158 158 LYS HB2 H 1.93 0.05 2 1427 158 158 LYS HB3 H 1.94 0.05 2 1428 158 158 LYS HG2 H 1.49 0.05 2 1429 158 158 LYS HG3 H 1.7 0.05 2 1430 158 158 LYS C C 177.31 0.15 1 1431 158 158 LYS CA C 58.58 0.15 1 1432 158 158 LYS CB C 32.74 0.15 1 1433 158 158 LYS CG C 23.92 0.15 1 1434 158 158 LYS N N 127.06 0.15 1 1435 159 159 ASN H H 7.96 0.05 1 1436 159 159 ASN HA H 4.84 0.05 1 1437 159 159 ASN HB2 H 3.28 0.05 2 1438 159 159 ASN HB3 H 2.76 0.05 2 1439 159 159 ASN C C 174.17 0.15 1 1440 159 159 ASN CA C 51.78 0.15 1 1441 159 159 ASN CB C 36.82 0.15 1 1442 159 159 ASN N N 113.06 0.15 1 1443 160 160 ALA H H 7.81 0.05 1 1444 160 160 ALA HA H 4.03 0.05 1 1445 160 160 ALA HB H 1.38 0.05 1 1446 160 160 ALA C C 176.03 0.15 1 1447 160 160 ALA CA C 53.41 0.15 1 1448 160 160 ALA CB C 16.97 0.15 1 1449 160 160 ALA N N 120.28 0.15 1 1450 161 161 ASP H H 8.28 0.05 1 1451 161 161 ASP HA H 5.46 0.05 1 1452 161 161 ASP HB2 H 2.41 0.05 2 1453 161 161 ASP HB3 H 2.99 0.05 2 1454 161 161 ASP C C 177.42 0.15 1 1455 161 161 ASP CA C 53.14 0.15 1 1456 161 161 ASP CB C 40.9 0.15 1 1457 161 161 ASP N N 116.59 0.15 1 1458 162 162 GLY H H 10.53 0.05 1 1459 162 162 GLY HA2 H 4.12 0.05 1 1460 162 162 GLY HA3 H 4.12 0.05 1 1461 162 162 GLY C C 173.43 0.15 1 1462 162 162 GLY CA C 46.07 0.15 1 1463 162 162 GLY N N 112.52 0.15 1 1464 163 163 LYS H H 8.1 0.05 1 1465 163 163 LYS HA H 5.35 0.05 1 1466 163 163 LYS HB2 H 1.54 0.05 2 1467 163 163 LYS HB3 H 1.55 0.05 2 1468 163 163 LYS HG2 H 1.05 0.05 2 1469 163 163 LYS HG3 H 1.04 0.05 2 1470 163 163 LYS C C 174.82 0.15 1 1471 163 163 LYS CA C 54.23 0.15 1 1472 163 163 LYS CB C 36.82 0.15 1 1473 163 163 LYS CG C 23.78 0.15 1 1474 163 163 LYS N N 117.49 0.15 1 1475 164 164 LEU H H 9.92 0.05 1 1476 164 164 LEU HA H 5.02 0.05 1 1477 164 164 LEU HB2 H 1.6 0.05 2 1478 164 164 LEU HB3 H 1.61 0.05 2 1479 164 164 LEU HG H 1.33 0.05 1 1480 164 164 LEU C C 178.09 0.15 1 1481 164 164 LEU CA C 52.87 0.15 1 1482 164 164 LEU CB C 43.35 0.15 1 1483 164 164 LEU N N 124.08 0.15 1 1484 165 165 THR H H 8.83 0.05 1 1485 165 165 THR HA H 5.8 0.05 1 1486 165 165 THR HB H 4.36 0.05 1 1487 165 165 THR HG2 H 1.52 0.05 1 1488 165 165 THR C C 175.47 0.15 1 1489 165 165 THR CA C 59.94 0.15 1 1490 165 165 THR CB C 71.63 0.15 1 1491 165 165 THR CG2 C 23.16 0.15 1 1492 165 165 THR N N 113.55 0.15 1 1493 166 166 LEU H H 8.96 0.05 1 1494 166 166 LEU HA H 3.45 0.05 1 1495 166 166 LEU HB2 H 1.52 0.05 2 1496 166 166 LEU HB3 H 1.53 0.05 2 1497 166 166 LEU HG H 1.26 0.05 1 1498 166 166 LEU HD1 H 0.37 0.05 2 1499 166 166 LEU HD2 H 0.59 0.05 2 1500 166 166 LEU C C 178.27 0.15 1 1501 166 166 LEU CA C 58.58 0.15 1 1502 166 166 LEU CB C 40.36 0.15 1 1503 166 166 LEU CG C 29.24 0.15 1 1504 166 166 LEU CD1 C 23.56 0.15 2 1505 166 166 LEU CD2 C 24.73 0.15 2 1506 166 166 LEU N N 123.3 0.15 1 1507 167 167 GLN H H 8.14 0.05 1 1508 167 167 GLN HA H 4.13 0.05 1 1509 167 167 GLN HB2 H 2.09 0.05 2 1510 167 167 GLN HB3 H 1.95 0.05 2 1511 167 167 GLN HG2 H 2.4 0.05 2 1512 167 167 GLN HG3 H 2.14 0.05 2 1513 167 167 GLN C C 179.1 0.15 1 1514 167 167 GLN CA C 54.23 0.15 1 1515 167 167 GLN CB C 28.12 0.15 1 1516 167 167 GLN CG C 33.78 0.15 1 1517 167 167 GLN N N 117.5 0.15 1 1518 168 168 GLU H H 8 0.05 1 1519 168 168 GLU HA H 4.17 0.05 1 1520 168 168 GLU HB2 H 1.95 0.05 2 1521 168 168 GLU HB3 H 1.93 0.05 2 1522 168 168 GLU HG2 H 2.28 0.05 2 1523 168 168 GLU HG3 H 2.29 0.05 2 1524 168 168 GLU C C 180.49 0.15 1 1525 168 168 GLU CA C 58.85 0.15 1 1526 168 168 GLU CB C 30.3 0.15 1 1527 168 168 GLU CG C 36.2 0.15 1 1528 168 168 GLU N N 119 0.15 1 1529 169 169 PHE H H 8.96 0.05 1 1530 169 169 PHE HA H 4.15 0.05 1 1531 169 169 PHE HB2 H 3.13 0.05 2 1532 169 169 PHE HB3 H 3.43 0.05 2 1533 169 169 PHE C C 177.62 0.15 1 1534 169 169 PHE CA C 61.02 0.15 1 1535 169 169 PHE CB C 41.17 0.15 1 1536 169 169 PHE N N 122.58 0.15 1 1537 170 170 GLN H H 9.49 0.05 1 1538 170 170 GLN HA H 3.84 0.05 1 1539 170 170 GLN HB2 H 2.06 0.05 2 1540 170 170 GLN HB3 H 2.08 0.05 2 1541 170 170 GLN HG2 H 2.33 0.05 2 1542 170 170 GLN HG3 H 2.32 0.05 2 1543 170 170 GLN C C 178.91 0.15 1 1544 170 170 GLN CA C 59.66 0.15 1 1545 170 170 GLN CB C 28.94 0.15 1 1546 170 170 GLN CG C 33.68 0.15 1 1547 170 170 GLN N N 119.8 0.15 1 1548 171 171 GLU H H 8.31 0.05 1 1549 171 171 GLU HA H 3.99 0.05 1 1550 171 171 GLU HB2 H 2.05 0.05 2 1551 171 171 GLU HB3 H 2.06 0.05 2 1552 171 171 GLU HG2 H 2.32 0.05 2 1553 171 171 GLU HG3 H 2.34 0.05 2 1554 171 171 GLU C C 180.13 0.15 1 1555 171 171 GLU CA C 59.39 0.15 1 1556 171 171 GLU CB C 29.75 0.15 1 1557 171 171 GLU CG C 36.08 0.15 1 1558 171 171 GLU N N 118.61 0.15 1 1559 172 172 GLY H H 8.43 0.05 1 1560 172 172 GLY HA2 H 4.03 0.05 1 1561 172 172 GLY HA3 H 4.03 0.05 1 1562 172 172 GLY C C 175.25 0.15 1 1563 172 172 GLY CA C 46.61 0.15 1 1564 172 172 GLY N N 107.37 0.15 1 1565 173 173 SER H H 7.93 0.05 1 1566 173 173 SER HA H 4.34 0.05 1 1567 173 173 SER HB2 H 4.03 0.05 2 1568 173 173 SER HB3 H 3.99 0.05 2 1569 173 173 SER C C 174.93 0.15 1 1570 173 173 SER CA C 61.3 0.15 1 1571 173 173 SER CB C 62.93 0.15 1 1572 173 173 SER N N 116.75 0.15 1 1573 174 174 LYS H H 7.2 0.05 1 1574 174 174 LYS HA H 4.01 0.05 1 1575 174 174 LYS HB2 H 1.83 0.05 2 1576 174 174 LYS HB3 H 1.81 0.05 2 1577 174 174 LYS HG2 H 1.42 0.05 2 1578 174 174 LYS HG3 H 1.43 0.05 2 1579 174 174 LYS C C 177.58 0.15 1 1580 174 174 LYS CA C 58.58 0.15 1 1581 174 174 LYS CB C 32.47 0.15 1 1582 174 174 LYS CG C 23.84 0.15 1 1583 174 174 LYS N N 119.25 0.15 1 1584 175 175 ALA H H 7.3 0.05 1 1585 175 175 ALA HA H 4.32 0.05 1 1586 175 175 ALA HB H 1.49 0.05 1 1587 175 175 ALA C C 177.82 0.15 1 1588 175 175 ALA CA C 53.14 0.15 1 1589 175 175 ALA CB C 19.42 0.15 1 1590 175 175 ALA N N 119.9 0.15 1 1591 176 176 ASP H H 7.58 0.05 1 1592 176 176 ASP HA H 4.93 0.05 1 1593 176 176 ASP HB2 H 2.75 0.05 2 1594 176 176 ASP HB3 H 2.73 0.05 2 1595 176 176 ASP CA C 51.23 0.15 1 1596 176 176 ASP CB C 41.17 0.15 1 1597 176 176 ASP N N 114.24 0.15 1 1598 177 177 PRO C C 178.42 0.15 1 1599 177 177 PRO CA C 63.74 0.15 1 1600 177 177 PRO CB C 32.2 0.15 1 1601 178 178 SER H H 8.28 0.05 1 1602 178 178 SER HA H 4.81 0.05 1 1603 178 178 SER HB2 H 3.97 0.05 2 1604 178 178 SER HB3 H 4 0.05 2 1605 178 178 SER C C 176.58 0.15 1 1606 178 178 SER CA C 61.57 0.15 1 1607 178 178 SER CB C 63.8 0.15 1 1608 178 178 SER N N 115.95 0.15 1 1609 179 179 ILE H H 7.46 0.05 1 1610 179 179 ILE HA H 4.07 0.05 1 1611 179 179 ILE HB H 1.86 0.05 1 1612 179 179 ILE HG12 H 1.33 0.05 2 1613 179 179 ILE HG13 H 0.78 0.05 2 1614 179 179 ILE HD1 H 0.73 0.05 1 1615 179 179 ILE C C 176.84 0.15 1 1616 179 179 ILE CA C 62.93 0.15 1 1617 179 179 ILE CB C 37.91 0.15 1 1618 179 179 ILE N N 120.65 0.15 1 1619 180 180 VAL H H 7.51 0.05 1 1620 180 180 VAL HA H 4.18 0.05 1 1621 180 180 VAL HB H 2.26 0.05 1 1622 180 180 VAL HG1 H 0.96 0.05 2 1623 180 180 VAL HG2 H 0.95 0.05 2 1624 180 180 VAL C C 176.73 0.15 1 1625 180 180 VAL CA C 62.93 0.15 1 1626 180 180 VAL CB C 32.65 0.15 1 1627 180 180 VAL CG1 C 20.02 0.15 2 1628 180 180 VAL CG2 C 20.44 0.15 2 1629 180 180 VAL N N 116.65 0.15 1 1630 181 181 GLN H H 7.89 0.05 1 1631 181 181 GLN HA H 4.23 0.05 1 1632 181 181 GLN HB2 H 2.09 0.05 2 1633 181 181 GLN HB3 H 2.1 0.05 2 1634 181 181 GLN HG2 H 2.48 0.05 2 1635 181 181 GLN HG3 H 2.28 0.05 2 1636 181 181 GLN C C 176.62 0.15 1 1637 181 181 GLN CA C 57.49 0.15 1 1638 181 181 GLN CB C 30.07 0.15 1 1639 181 181 GLN CG C 33.62 0.15 1 1640 181 181 GLN N N 121.58 0.15 1 1641 182 182 ALA H H 7.92 0.05 1 1642 182 182 ALA HA H 4.36 0.05 1 1643 182 182 ALA HB H 1.44 0.05 1 1644 182 182 ALA C C 177.31 0.15 1 1645 182 182 ALA CA C 53.68 0.15 1 1646 182 182 ALA CB C 18.88 0.15 1 1647 182 182 ALA N N 120.59 0.15 1 1648 183 183 LEU H H 7.63 0.05 1 1649 183 183 LEU HA H 4.5 0.05 1 1650 183 183 LEU HB2 H 1.49 0.05 2 1651 183 183 LEU HB3 H 1.43 0.05 2 1652 183 183 LEU HG H 1.85 0.05 1 1653 183 183 LEU HD1 H 1.05 0.05 2 1654 183 183 LEU HD2 H 1.05 0.05 2 1655 183 183 LEU C C 176.54 0.15 1 1656 183 183 LEU CA C 55.59 0.15 1 1657 183 183 LEU CB C 42.26 0.15 1 1658 183 183 LEU CG C 28.73 0.15 1 1659 183 183 LEU CD1 C 25.55 0.15 2 1660 183 183 LEU CD2 C 25.89 0.15 2 1661 183 183 LEU N N 115.04 0.15 1 1662 184 184 SER H H 7.82 0.05 1 1663 184 184 SER HA H 4.8 0.05 1 1664 184 184 SER HB2 H 4.08 0.05 2 1665 184 184 SER HB3 H 4.13 0.05 2 1666 184 184 SER C C 173.05 0.15 1 1667 184 184 SER CA C 58.03 0.15 1 1668 184 184 SER CB C 63.74 0.15 1 1669 184 184 SER N N 113.27 0.15 1 1670 185 185 LEU H H 8.1 0.05 1 1671 185 185 LEU HA H 4.54 0.05 1 1672 185 185 LEU HB2 H 1.58 0.05 2 1673 185 185 LEU HB3 H 1.54 0.05 2 1674 185 185 LEU HG H 1.34 0.05 1 1675 185 185 LEU HD1 H 0.53 0.05 2 1676 185 185 LEU HD2 H 0.53 0.05 2 1677 185 185 LEU CA C 54.77 0.15 1 1678 185 185 LEU CB C 40.36 0.15 1 1679 185 185 LEU CG C 26.75 0.15 1 1680 185 185 LEU CD1 C 23.52 0.15 2 1681 185 185 LEU CD2 C 24.4 0.15 2 1682 185 185 LEU N N 125.96 0.15 1 1683 186 186 TYR H H 7.4 0.05 1 1684 186 186 TYR HA H 4.13 0.05 1 1685 186 186 TYR HB2 H 2.68 0.05 1 1686 186 186 TYR HB3 H 2.68 0.05 1 1687 186 186 TYR C C 175.46 0.15 1 1688 186 186 TYR CA C 58.03 0.15 1 1689 186 186 TYR CB C 43.08 39.16 1 1690 186 186 TYR N N 115.66 0.15 1 1691 187 187 ASP H H 7.81 0.05 1 1692 187 187 ASP HA H 4.54 0.05 1 1693 187 187 ASP HB2 H 2.67 0.05 2 1694 187 187 ASP HB3 H 2.82 0.05 2 1695 187 187 ASP C C 176.7 0.15 1 1696 187 187 ASP CA C 55.04 0.15 1 1697 187 187 ASP CB C 41.17 0.15 1 1698 187 187 ASP N N 120.3 0.15 1 1699 188 188 GLY H H 8.1 0.05 1 1700 188 188 GLY HA2 H 3.85 0.05 2 1701 188 188 GLY HA3 H 4.54 0.05 2 1702 188 188 GLY C C 174.05 0.05 1 1703 188 188 GLY CA C 45.52 0.15 1 1704 188 188 GLY N N 108.94 0.15 1 1705 189 189 LEU H H 8 0.05 1 1706 189 189 LEU HA H 4.36 0.05 1 1707 189 189 LEU HB2 H 1.68 0.05 2 1708 189 189 LEU HB3 H 1.6 0.05 2 1709 189 189 LEU HG H 1.56 0.05 1 1710 189 189 LEU HD1 H 0.8 0.05 2 1711 189 189 LEU HD2 H 0.81 0.05 2 1712 189 189 LEU C C 179.11 0.15 1 1713 189 189 LEU CA C 55.59 0.15 1 1714 189 189 LEU CB C 42.81 0.15 1 1715 189 189 LEU CG C 29.24 0.15 1 1716 189 189 LEU CD1 C 25.17 0.15 1 1717 189 189 LEU CD2 C 25.17 0.15 1 1718 189 189 LEU N N 121.21 0.15 1 1719 190 190 VAL H H 7.49 0.05 1 1720 190 190 VAL HA H 4.09 0.05 1 1721 190 190 VAL HB H 2.02 0.05 1 1722 190 190 VAL HG1 H 0.82 0.05 2 1723 190 190 VAL HG2 H 0.82 0.05 2 1724 190 190 VAL CA C 63.2 0.15 1 1725 190 190 VAL CB C 33.83 0.15 1 1726 190 190 VAL CG1 C 20.25 0.15 1 1727 190 190 VAL CG2 C 20.25 0.15 1 1728 190 190 VAL N N 122.44 0.15 1 stop_ save_