data_19589 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the RhoGAP domain from the Rgd1 protein of Saccharomyces cerevisiae ; _BMRB_accession_number 19589 _BMRB_flat_file_name bmr19589.str _Entry_type original _Submission_date 2013-10-29 _Accession_date 2013-10-29 _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 Martinez Denis . . 2 Prouzet-mauleon Valerie . . 3 Hugues Michel . . 4 Claveres Annie . . 5 Doignon Francois . . 6 Odaert Benoit . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1167 "13C chemical shifts" 853 "15N chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-29 update BMRB 'update entry citation' 2014-11-10 original author 'original release' stop_ _Original_release_date 2013-10-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Assignment of 1H, 13C and 15N resonances and secondary structure of the Rgd1-RhoGAP domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29280056 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez Denis . . 2 Prouzet-Mauleon Valerie . . 3 Hugues Michel . . 4 Doignon Francois . . 5 Odaert Benoit . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 12 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 129 _Page_last 132 _Year 2018 _Details . loop_ _Keyword 'NMR assignment' Rgd1p 'RhoGAP domain' Yeast stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RhoGAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RhoGAP $Rgd1p-RhoGAP_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rgd1p-RhoGAP_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rgd1p-RhoGAP_domain _Molecular_mass 25692 _Mol_thiol_state 'all free' loop_ _Biological_function 'GTPase activating protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 226 _Mol_residue_sequence ; MISHIQTNNNMPPGVQKNFK TFGVPLESLIEFEQDMVPAI VRQCIYVIDKFGLDQEGIYR KSANVLDVSKLKEEIDKDPA NISMILPSKPHSDSDIYLVG SLLKTFFASLPDSVLPKALS SEIKVCLQIEDPTTRKNFMH GLIYNLPDAQYWTLRALVFH LKRVLAHEAQNRMNLRALCI IWGPTIAPANPDDANDVNFQ IMAMEVLLEVSDQAFEPELE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 SER 4 HIS 5 ILE 6 GLN 7 THR 8 ASN 9 ASN 10 ASN 11 MET 12 PRO 13 PRO 14 GLY 15 VAL 16 GLN 17 LYS 18 ASN 19 PHE 20 LYS 21 THR 22 PHE 23 GLY 24 VAL 25 PRO 26 LEU 27 GLU 28 SER 29 LEU 30 ILE 31 GLU 32 PHE 33 GLU 34 GLN 35 ASP 36 MET 37 VAL 38 PRO 39 ALA 40 ILE 41 VAL 42 ARG 43 GLN 44 CYS 45 ILE 46 TYR 47 VAL 48 ILE 49 ASP 50 LYS 51 PHE 52 GLY 53 LEU 54 ASP 55 GLN 56 GLU 57 GLY 58 ILE 59 TYR 60 ARG 61 LYS 62 SER 63 ALA 64 ASN 65 VAL 66 LEU 67 ASP 68 VAL 69 SER 70 LYS 71 LEU 72 LYS 73 GLU 74 GLU 75 ILE 76 ASP 77 LYS 78 ASP 79 PRO 80 ALA 81 ASN 82 ILE 83 SER 84 MET 85 ILE 86 LEU 87 PRO 88 SER 89 LYS 90 PRO 91 HIS 92 SER 93 ASP 94 SER 95 ASP 96 ILE 97 TYR 98 LEU 99 VAL 100 GLY 101 SER 102 LEU 103 LEU 104 LYS 105 THR 106 PHE 107 PHE 108 ALA 109 SER 110 LEU 111 PRO 112 ASP 113 SER 114 VAL 115 LEU 116 PRO 117 LYS 118 ALA 119 LEU 120 SER 121 SER 122 GLU 123 ILE 124 LYS 125 VAL 126 CYS 127 LEU 128 GLN 129 ILE 130 GLU 131 ASP 132 PRO 133 THR 134 THR 135 ARG 136 LYS 137 ASN 138 PHE 139 MET 140 HIS 141 GLY 142 LEU 143 ILE 144 TYR 145 ASN 146 LEU 147 PRO 148 ASP 149 ALA 150 GLN 151 TYR 152 TRP 153 THR 154 LEU 155 ARG 156 ALA 157 LEU 158 VAL 159 PHE 160 HIS 161 LEU 162 LYS 163 ARG 164 VAL 165 LEU 166 ALA 167 HIS 168 GLU 169 ALA 170 GLN 171 ASN 172 ARG 173 MET 174 ASN 175 LEU 176 ARG 177 ALA 178 LEU 179 CYS 180 ILE 181 ILE 182 TRP 183 GLY 184 PRO 185 THR 186 ILE 187 ALA 188 PRO 189 ALA 190 ASN 191 PRO 192 ASP 193 ASP 194 ALA 195 ASN 196 ASP 197 VAL 198 ASN 199 PHE 200 GLN 201 ILE 202 MET 203 ALA 204 MET 205 GLU 206 VAL 207 LEU 208 LEU 209 GLU 210 VAL 211 SER 212 ASP 213 GLN 214 ALA 215 PHE 216 GLU 217 PRO 218 GLU 219 LEU 220 GLU 221 HIS 222 HIS 223 HIS 224 HIS 225 HIS 226 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 SP P38339 RGD1_YEAST . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rgd1p-RhoGAP_domain "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Rgd1p-RhoGAP_domain 'recombinant technology' . Escherichia coli BL21(DE3) pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 20mM Tris pH 7.3 2 mM DTT 0.1 mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rgd1p-RhoGAP_domain 400 uM '[U-13C; U-15N]' Tris 20 mM 'natural abundance' DTT 2 mM 'natural abundance' NaN3 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 20mM d11-Tris pH7.3 5 mM DTT 0.1 mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rgd1p-RhoGAP_domain 400 uM '[U-13C; U-15N]' $Rgd1p-RhoGAP_domain 300 uM '[U-13C; U-15N]' d11-Tris 20 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 0.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 20mM Tris 5 mM DTT 1 mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rgd1p-RhoGAP_domain 250 uM [U-15N] Tris 20 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 20mM Tris pH 7.3 5 mM DTT 1 mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rgd1p-RhoGAP_domain 700 uM '[U-13C; U-15N]' Tris 20 mM 'natural abundance' DTT 5 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 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' 20 . mM pH 7.35 0.05 pH pressure 1 . atm temperature 313 . 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 TSP C 13 'methyl protons' ppm 0 internal direct . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-COSY' '3D HCCH-TOCSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RhoGAP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET CA C 56.500 0.100 1 2 1 1 MET CB C 31.094 0.100 1 3 2 2 ILE H H 8.000 0.005 1 4 2 2 ILE HA H 4.446 0.0050 1 5 2 2 ILE C C 175.414 0.500 1 6 2 2 ILE CA C 62.147 0.100 1 7 2 2 ILE CB C 33.000 0.100 1 8 2 2 ILE N N 122.707 0.200 1 9 3 3 SER H H 7.907 0.005 1 10 3 3 SER HA H 4.268 0.005 1 11 3 3 SER HB2 H 3.847 0.005 2 12 3 3 SER HB3 H 3.847 0.005 2 13 3 3 SER C C 178.547 0.500 1 14 3 3 SER CA C 60.225 0.100 1 15 3 3 SER CB C 65.151 0.100 1 16 3 3 SER N N 124.811 0.200 1 17 4 4 HIS HA H 4.673 0.005 1 18 4 4 HIS HB2 H 3.111 0.005 2 19 4 4 HIS HB3 H 3.111 0.005 2 20 4 4 HIS CA C 56.418 0.100 1 21 4 4 HIS CB C 30.633 0.100 1 22 5 5 ILE H H 7.939 0.005 1 23 5 5 ILE HA H 4.147 0.005 1 24 5 5 ILE HB H 1.806 0.005 1 25 5 5 ILE HG12 H 1.107 0.005 2 26 5 5 ILE HG13 H 1.380 0.005 2 27 5 5 ILE HG2 H 0.864 0.005 1 28 5 5 ILE HD1 H 0.849 0.005 1 29 5 5 ILE C C 175.799 0.500 1 30 5 5 ILE CA C 61.051 0.100 1 31 5 5 ILE CB C 38.877 0.100 1 32 5 5 ILE CG1 C 27.271 0.100 1 33 5 5 ILE CG2 C 17.573 0.100 1 34 5 5 ILE CD1 C 12.915 0.100 1 35 5 5 ILE N N 122.163 0.200 1 36 6 6 GLN H H 8.417 0.005 1 37 6 6 GLN HA H 4.448 0.005 1 38 6 6 GLN HB2 H 2.083 0.005 2 39 6 6 GLN HB3 H 2.083 0.005 2 40 6 6 GLN HE21 H 6.237 0.005 1 41 6 6 GLN HE22 H 6.616 0.005 1 42 6 6 GLN C C 175.808 0.500 1 43 6 6 GLN CA C 55.894 0.100 1 44 6 6 GLN CB C 29.733 0.100 1 45 6 6 GLN CG C 36.434 0.100 1 46 6 6 GLN N N 124.733 0.200 1 47 6 6 GLN NE2 N 108.851 0.200 1 48 7 7 THR H H 8.171 0.005 1 49 7 7 THR HA H 4.355 0.005 1 50 7 7 THR HB H 4.233 0.005 1 51 7 7 THR HG2 H 1.206 0.005 1 52 7 7 THR C C 173.538 0.500 1 53 7 7 THR CA C 61.852 0.100 1 54 7 7 THR CB C 69.898 0.100 1 55 7 7 THR CG2 C 21.519 0.100 1 56 7 7 THR N N 116.232 0.200 1 57 8 8 ASN H H 8.043 0.005 1 58 8 8 ASN HA H 4.424 0.005 1 59 8 8 ASN HB2 H 2.563 0.005 2 60 8 8 ASN HB3 H 2.696 0.005 2 61 8 8 ASN C C 175.579 0.500 1 62 8 8 ASN CA C 55.131 0.100 1 63 8 8 ASN CB C 41.024 0.100 1 64 8 8 ASN N N 126.174 0.200 1 65 9 9 ASN H H 8.292 0.005 1 66 9 9 ASN HA H 4.790 0.005 1 67 9 9 ASN HB2 H 2.807 0.005 2 68 9 9 ASN HB3 H 2.978 0.005 2 69 9 9 ASN C C 173.884 0.500 1 70 9 9 ASN CA C 53.267 0.100 1 71 9 9 ASN CB C 39.574 0.100 1 72 9 9 ASN N N 123.856 0.200 1 73 10 10 ASN H H 8.006 0.005 1 74 10 10 ASN HA H 4.512 0.005 1 75 10 10 ASN HB2 H 2.748 0.005 2 76 10 10 ASN HB3 H 2.802 0.005 2 77 10 10 ASN C C 179.216 0.500 1 78 10 10 ASN CA C 54.929 0.100 1 79 10 10 ASN CB C 40.840 0.100 1 80 10 10 ASN N N 124.405 0.200 1 81 11 11 MET H H 8.334 0.005 1 82 11 11 MET HA H 4.798 0.005 1 83 11 11 MET HB2 H 1.976 0.005 2 84 11 11 MET HB3 H 2.031 0.005 2 85 11 11 MET HG2 H 2.616 0.005 2 86 11 11 MET HG3 H 2.638 0.005 1 87 11 11 MET C C 175.255 0.500 1 88 11 11 MET CA C 53.369 0.100 1 89 11 11 MET CB C 39.262 0.100 1 90 11 11 MET CG C 32.123 0.100 1 91 11 11 MET N N 123.954 0.200 1 92 13 13 PRO HA H 4.426 0.005 1 93 13 13 PRO HB2 H 2.308 0.005 2 94 13 13 PRO HB3 H 2.084 0.005 2 95 13 13 PRO HG2 H 2.054 0.005 2 96 13 13 PRO HG3 H 2.054 0.005 2 97 13 13 PRO HD2 H 3.675 0.005 2 98 13 13 PRO HD3 H 3.840 0.005 2 99 13 13 PRO C C 177.741 0.500 1 100 13 13 PRO CA C 63.387 0.100 1 101 13 13 PRO CB C 32.135 0.100 1 102 13 13 PRO CG C 27.504 0.100 1 103 13 13 PRO CD C 50.636 0.100 1 104 14 14 GLY H H 8.335 0.005 1 105 14 14 GLY HA2 H 3.948 0.005 1 106 14 14 GLY HA3 H 4.650 0.005 1 107 14 14 GLY C C 174.213 0.500 1 108 14 14 GLY CA C 45.393 0.100 1 109 14 14 GLY N N 108.792 0.200 1 110 15 15 VAL H H 7.736 0.005 1 111 15 15 VAL HA H 4.121 0.005 1 112 15 15 VAL HB H 2.076 0.005 1 113 15 15 VAL C C 176.067 0.500 1 114 15 15 VAL CA C 62.190 0.100 1 115 15 15 VAL CB C 32.362 0.100 1 116 15 15 VAL CG2 C 21.094 0.100 2 117 15 15 VAL N N 118.996 0.200 1 118 16 16 GLN H H 8.363 0.005 1 119 16 16 GLN HA H 4.580 0.005 1 120 16 16 GLN HE21 H 6.803 0.005 1 121 16 16 GLN HE22 H 7.462 0.005 1 122 16 16 GLN C C 175.708 0.500 1 123 16 16 GLN CA C 55.747 0.100 1 124 16 16 GLN CB C 29.701 0.100 1 125 16 16 GLN CG C 33.912 0.100 1 126 16 16 GLN N N 123.986 0.200 1 127 16 16 GLN NE2 N 112.092 0.200 1 128 17 17 LYS H H 8.260 0.005 1 129 17 17 LYS HA H 4.372 0.005 1 130 17 17 LYS HB2 H 1.729 0.005 2 131 17 17 LYS HB3 H 1.729 0.005 2 132 17 17 LYS HG2 H 1.451 0.005 2 133 17 17 LYS HG3 H 1.451 0.005 2 134 17 17 LYS HD2 H 1.666 0.005 2 135 17 17 LYS HD3 H 1.666 0.005 2 136 17 17 LYS HE2 H 2.980 0.005 2 137 17 17 LYS HE3 H 2.980 0.005 2 138 17 17 LYS HZ H 7.048 0.005 1 139 17 17 LYS C C 175.772 0.500 1 140 17 17 LYS CA C 56.084 0.100 1 141 17 17 LYS CB C 33.283 0.100 1 142 17 17 LYS CG C 25.084 0.100 1 143 17 17 LYS CD C 29.282 0.100 1 144 17 17 LYS CE C 41.978 0.100 1 145 17 17 LYS N N 122.199 0.200 1 146 17 17 LYS NZ N 30.092 0.200 1 147 18 18 ASN H H 8.334 0.005 1 148 18 18 ASN HA H 4.702 0.005 1 149 18 18 ASN HB2 H 2.770 0.005 2 150 18 18 ASN HB3 H 2.778 0.005 2 151 18 18 ASN HD21 H 6.858 0.005 1 152 18 18 ASN HD22 H 7.545 0.005 1 153 18 18 ASN C C 174.306 0.500 1 154 18 18 ASN CA C 53.282 0.100 1 155 18 18 ASN CB C 39.202 0.100 1 156 18 18 ASN N N 119.789 0.200 1 157 18 18 ASN ND2 N 112.526 0.200 1 158 19 19 PHE H H 7.958 0.005 1 159 19 19 PHE HA H 4.599 0.005 1 160 19 19 PHE HB2 H 3.058 0.005 2 161 19 19 PHE HB3 H 3.058 0.005 2 162 19 19 PHE HD1 H 7.201 0.005 3 163 19 19 PHE HD2 H 7.201 0.005 3 164 19 19 PHE CA C 57.730 0.100 1 165 19 19 PHE CB C 40.462 0.100 1 166 19 19 PHE N N 121.483 0.200 1 167 20 20 LYS H H 7.768 0.005 1 168 20 20 LYS HA H 4.605 0.005 1 169 20 20 LYS HB2 H 1.905 0.005 2 170 20 20 LYS HB3 H 1.905 0.005 2 171 20 20 LYS HG2 H 1.477 0.005 2 172 20 20 LYS HG3 H 1.477 0.005 2 173 20 20 LYS HD2 H 1.693 0.005 2 174 20 20 LYS HD3 H 1.693 0.005 2 175 20 20 LYS HE2 H 3.001 0.005 2 176 20 20 LYS HE3 H 3.001 0.005 2 177 20 20 LYS C C 174.586 0.500 1 178 20 20 LYS CA C 56.309 0.100 1 179 20 20 LYS CB C 34.022 0.100 1 180 20 20 LYS N N 122.695 0.200 1 181 21 21 THR H H 8.680 0.005 1 182 21 21 THR HA H 4.472 0.005 1 183 21 21 THR HB H 4.093 0.005 1 184 21 21 THR HG2 H 0.803 0.005 1 185 21 21 THR C C 173.857 0.500 1 186 21 21 THR CA C 65.434 0.100 1 187 21 21 THR CB C 70.417 0.100 1 188 21 21 THR CG2 C 21.424 0.100 1 189 21 21 THR N N 117.852 0.200 1 190 22 22 PHE H H 9.625 0.005 1 191 22 22 PHE HA H 4.023 0.005 1 192 22 22 PHE HB2 H 3.518 0.005 2 193 22 22 PHE HB3 H 3.297 0.005 2 194 22 22 PHE HD1 H 7.492 0.005 3 195 22 22 PHE HD2 H 7.492 0.005 3 196 22 22 PHE C C 177.906 0.500 1 197 22 22 PHE CA C 58.360 0.100 1 198 22 22 PHE CB C 40.250 0.100 1 199 22 22 PHE CD1 C 133.593 0.100 3 200 22 22 PHE CD2 C 133.593 0.100 3 201 22 22 PHE N N 120.798 0.200 1 202 23 23 GLY H H 8.663 0.005 1 203 23 23 GLY HA2 H 4.111 0.005 1 204 23 23 GLY HA3 H 4.132 0.005 1 205 23 23 GLY C C 174.413 0.500 1 206 23 23 GLY CA C 46.047 0.100 1 207 23 23 GLY N N 109.246 0.200 1 208 24 24 VAL H H 8.062 0.005 1 209 24 24 VAL HA H 4.711 0.005 1 210 24 24 VAL HB H 2.043 0.005 1 211 24 24 VAL HG1 H 0.666 0.005 1 212 24 24 VAL HG2 H 0.898 0.005 1 213 24 24 VAL C C 172.925 0.500 1 214 24 24 VAL CA C 58.344 0.100 1 215 24 24 VAL CB C 33.267 0.100 1 216 24 24 VAL CG1 C 21.305 0.100 2 217 24 24 VAL CG2 C 19.218 0.100 2 218 24 24 VAL N N 117.005 0.200 1 219 25 25 PRO HA H 4.345 0.005 1 220 25 25 PRO HB2 H 2.303 0.005 2 221 25 25 PRO HB3 H 2.278 0.005 2 222 25 25 PRO HG2 H 1.926 0.005 2 223 25 25 PRO HG3 H 1.926 0.005 2 224 25 25 PRO HD2 H 3.836 0.005 2 225 25 25 PRO HD3 H 3.712 0.005 2 226 25 25 PRO C C 178.411 0.500 1 227 25 25 PRO CA C 63.376 0.100 1 228 25 25 PRO CB C 32.237 0.100 1 229 25 25 PRO CG C 27.599 0.100 1 230 25 25 PRO CD C 50.969 0.100 1 231 26 26 LEU H H 9.101 0.005 1 232 26 26 LEU HA H 3.939 0.005 1 233 26 26 LEU HB2 H 1.836 0.005 2 234 26 26 LEU HB3 H 1.836 0.005 2 235 26 26 LEU HG H 1.622 0.005 1 236 26 26 LEU HD1 H 1.169 0.005 1 237 26 26 LEU HD2 H 1.090 0.005 1 238 26 26 LEU C C 178.516 0.500 1 239 26 26 LEU CA C 58.630 0.100 1 240 26 26 LEU CB C 42.546 0.100 1 241 26 26 LEU CG C 27.170 0.100 1 242 26 26 LEU CD1 C 25.237 0.100 2 243 26 26 LEU CD2 C 25.385 0.100 2 244 26 26 LEU N N 126.227 0.200 1 245 27 27 GLU H H 9.901 0.005 1 246 27 27 GLU HA H 3.880 0.005 1 247 27 27 GLU HB2 H 1.871 0.005 2 248 27 27 GLU HB3 H 2.099 0.005 2 249 27 27 GLU HG2 H 2.341 0.005 2 250 27 27 GLU HG3 H 2.539 0.005 2 251 27 27 GLU C C 178.513 0.500 1 252 27 27 GLU CA C 60.790 0.100 1 253 27 27 GLU CB C 27.907 0.100 1 254 27 27 GLU CG C 36.222 0.100 1 255 27 27 GLU N N 114.323 0.200 1 256 28 28 SER H H 7.637 0.005 1 257 28 28 SER HA H 4.355 0.005 1 258 28 28 SER HB2 H 3.974 0.005 2 259 28 28 SER HB3 H 4.085 0.005 2 260 28 28 SER C C 175.769 0.500 1 261 28 28 SER CA C 60.574 0.100 1 262 28 28 SER CB C 63.456 0.100 1 263 28 28 SER N N 114.426 0.200 1 264 29 29 LEU H H 7.665 0.005 1 265 29 29 LEU HA H 3.734 0.005 1 266 29 29 LEU HB2 H 1.700 0.005 2 267 29 29 LEU HB3 H 1.737 0.005 2 268 29 29 LEU HG H 1.693 0.005 1 269 29 29 LEU HD1 H 0.959 0.005 1 270 29 29 LEU HD2 H 0.959 0.005 1 271 29 29 LEU C C 176.428 0.500 1 272 29 29 LEU CA C 55.719 0.100 1 273 29 29 LEU CB C 43.578 0.100 1 274 29 29 LEU CG C 26.546 0.100 1 275 29 29 LEU CD2 C 24.268 0.100 2 276 29 29 LEU N N 120.500 0.200 1 277 30 30 ILE H H 7.316 0.005 1 278 30 30 ILE HA H 4.262 0.005 1 279 30 30 ILE HB H 1.890 0.005 1 280 30 30 ILE HG12 H 1.099 0.005 2 281 30 30 ILE HG13 H 1.385 0.005 2 282 30 30 ILE HG2 H 1.049 0.005 1 283 30 30 ILE HD1 H 0.809 0.005 1 284 30 30 ILE C C 179.182 0.500 1 285 30 30 ILE CA C 60.594 0.100 1 286 30 30 ILE CB C 36.622 0.100 1 287 30 30 ILE CG1 C 27.617 0.100 1 288 30 30 ILE CG2 C 17.682 0.100 1 289 30 30 ILE CD1 C 12.252 0.100 1 290 31 31 GLU H H 7.475 0.005 1 291 31 31 GLU HA H 4.456 0.005 1 292 31 31 GLU HB2 H 2.077 0.005 2 293 31 31 GLU HB3 H 2.077 0.005 2 294 31 31 GLU HG2 H 2.417 0.005 2 295 31 31 GLU HG3 H 2.417 0.005 2 296 31 31 GLU C C 176.900 0.500 1 297 31 31 GLU CA C 58.874 0.100 1 298 31 31 GLU CB C 28.959 0.100 1 299 31 31 GLU CG C 36.751 0.100 1 300 31 31 GLU N N 119.311 0.200 1 301 32 32 PHE H H 8.744 0.005 1 302 32 32 PHE HA H 3.600 0.005 1 303 32 32 PHE HB2 H 3.108 0.005 2 304 32 32 PHE HB3 H 3.216 0.005 2 305 32 32 PHE C C 179.327 0.500 1 306 32 32 PHE CA C 57.842 0.100 1 307 32 32 PHE CB C 39.948 0.100 1 308 32 32 PHE CZ C 128.842 0.100 1 309 32 32 PHE N N 119.101 0.200 1 310 33 33 GLU H H 8.262 0.005 1 311 33 33 GLU HA H 4.424 0.005 1 312 33 33 GLU CA C 59.879 0.100 1 313 33 33 GLU CB C 30.597 0.100 1 314 33 33 GLU N N 117.830 0.200 1 315 34 34 GLN HA H 4.057 0.005 1 316 34 34 GLN HB2 H 2.078 0.005 2 317 34 34 GLN HB3 H 2.078 0.005 2 318 34 34 GLN HG2 H 2.320 0.005 2 319 34 34 GLN HG3 H 2.320 0.005 2 320 34 34 GLN HE21 H 7.015 0.005 1 321 34 34 GLN HE22 H 7.654 0.005 1 322 34 34 GLN C C 175.458 0.500 1 323 34 34 GLN CA C 57.519 0.100 1 324 34 34 GLN CB C 28.450 0.100 1 325 34 34 GLN CG C 33.888 0.100 1 326 34 34 GLN NE2 N 109.720 0.200 1 327 35 35 ASP H H 7.908 0.005 1 328 35 35 ASP HA H 4.712 0.005 1 329 35 35 ASP HB2 H 2.861 0.005 2 330 35 35 ASP HB3 H 2.814 0.005 2 331 35 35 ASP C C 177.361 0.500 1 332 35 35 ASP CA C 53.135 0.100 1 333 35 35 ASP CB C 41.993 0.100 1 334 35 35 ASP N N 117.167 0.200 1 335 36 36 MET H H 7.893 0.005 1 336 36 36 MET HA H 3.967 0.005 1 337 36 36 MET HB2 H 2.104 0.005 2 338 36 36 MET HB3 H 2.104 0.005 2 339 36 36 MET C C 172.504 0.500 1 340 36 36 MET CA C 56.955 0.100 1 341 36 36 MET N N 114.113 0.200 1 342 37 37 VAL H H 7.185 0.005 1 343 37 37 VAL HA H 4.640 0.005 1 344 37 37 VAL HB H 1.787 0.005 1 345 37 37 VAL HG1 H 0.892 0.005 1 346 37 37 VAL HG2 H 0.892 0.005 1 347 37 37 VAL C C 174.474 0.500 1 348 37 37 VAL CA C 58.334 0.100 1 349 37 37 VAL CB C 35.571 0.100 1 350 37 37 VAL N N 114.954 0.200 1 351 39 39 ALA H H 9.065 0.005 1 352 39 39 ALA HA H 3.913 0.005 1 353 39 39 ALA HB H 1.486 0.005 1 354 39 39 ALA C C 180.069 0.500 1 355 39 39 ALA CA C 55.861 0.100 1 356 39 39 ALA CB C 18.055 0.100 1 357 39 39 ALA N N 119.375 0.200 1 358 40 40 ILE H H 9.182 0.005 1 359 40 40 ILE HA H 3.827 0.005 1 360 40 40 ILE HB H 1.537 0.005 1 361 40 40 ILE HG12 H 0.871 0.005 2 362 40 40 ILE HG13 H 1.342 0.005 2 363 40 40 ILE HG2 H -0.106 0.005 1 364 40 40 ILE HD1 H -0.099 0.005 1 365 40 40 ILE C C 175.930 0.500 1 366 40 40 ILE CA C 63.308 0.100 1 367 40 40 ILE CB C 36.999 0.100 1 368 40 40 ILE CG1 C 29.517 0.100 1 369 40 40 ILE CG2 C 15.930 0.100 1 370 40 40 ILE CD1 C 16.634 0.100 1 371 40 40 ILE N N 115.323 0.200 1 372 41 41 VAL H H 6.311 0.005 1 373 41 41 VAL HA H 3.277 0.005 1 374 41 41 VAL HB H 1.985 0.005 1 375 41 41 VAL HG1 H 0.904 0.005 1 376 41 41 VAL HG2 H 0.523 0.005 1 377 41 41 VAL C C 176.551 0.500 1 378 41 41 VAL CA C 65.822 0.100 1 379 41 41 VAL CB C 31.629 0.100 1 380 41 41 VAL CG1 C 21.235 0.100 2 381 41 41 VAL CG2 C 24.900 0.100 2 382 41 41 VAL N N 121.920 0.200 1 383 42 42 ARG H H 7.647 0.005 1 384 42 42 ARG HA H 3.727 0.005 1 385 42 42 ARG HB2 H 1.735 0.005 2 386 42 42 ARG HB3 H 1.735 0.005 2 387 42 42 ARG HG2 H 1.714 0.005 2 388 42 42 ARG HG3 H 1.449 0.005 2 389 42 42 ARG HD2 H 3.177 0.005 2 390 42 42 ARG HD3 H 3.232 0.005 2 391 42 42 ARG C C 179.470 0.500 1 392 42 42 ARG CA C 59.631 0.100 1 393 42 42 ARG CB C 30.455 0.100 1 394 42 42 ARG CG C 27.130 0.100 1 395 42 42 ARG CD C 43.104 0.100 1 396 42 42 ARG N N 117.417 0.200 1 397 43 43 GLN H H 8.854 0.005 1 398 43 43 GLN HA H 4.273 0.005 1 399 43 43 GLN HB2 H 2.030 0.005 2 400 43 43 GLN HB3 H 2.030 0.005 2 401 43 43 GLN HG2 H 2.352 0.005 2 402 43 43 GLN HG3 H 2.352 0.005 2 403 43 43 GLN HE21 H 6.647 0.005 1 404 43 43 GLN HE22 H 7.010 0.005 1 405 43 43 GLN C C 178.317 0.500 1 406 43 43 GLN CA C 58.768 0.100 1 407 43 43 GLN CB C 28.355 0.100 1 408 43 43 GLN CG C 36.488 0.100 1 409 43 43 GLN N N 117.088 0.200 1 410 43 43 GLN NE2 N 109.319 0.200 1 411 44 44 CYS H H 7.755 0.005 1 412 44 44 CYS HA H 4.026 0.005 1 413 44 44 CYS HB2 H 3.110 0.005 2 414 44 44 CYS HB3 H 2.554 0.005 2 415 44 44 CYS C C 176.554 0.500 1 416 44 44 CYS CA C 61.942 0.100 1 417 44 44 CYS CB C 29.534 0.100 1 418 44 44 CYS N N 115.716 0.200 1 419 45 45 ILE H H 7.932 0.005 1 420 45 45 ILE HA H 2.825 0.005 1 421 45 45 ILE HB H 1.664 0.005 1 422 45 45 ILE HG12 H 0.154 0.005 2 423 45 45 ILE HG13 H 0.154 0.005 2 424 45 45 ILE HG2 H 0.665 0.005 1 425 45 45 ILE HD1 H 0.705 0.005 1 426 45 45 ILE C C 176.266 0.500 1 427 45 45 ILE CA C 66.791 0.100 1 428 45 45 ILE CB C 37.586 0.100 1 429 45 45 ILE CG1 C 30.602 0.100 1 430 45 45 ILE CG2 C 16.675 0.100 1 431 45 45 ILE CD1 C 14.142 0.100 1 432 45 45 ILE N N 117.596 0.200 1 433 46 46 TYR H H 7.938 0.005 1 434 46 46 TYR HA H 4.284 0.005 1 435 46 46 TYR HB2 H 3.166 0.005 2 436 46 46 TYR HB3 H 3.166 0.005 2 437 46 46 TYR HD1 H 7.093 0.005 3 438 46 46 TYR HD2 H 7.093 0.005 3 439 46 46 TYR HE1 H 6.797 0.005 3 440 46 46 TYR HE2 H 6.797 0.005 3 441 46 46 TYR C C 177.288 0.500 1 442 46 46 TYR CA C 61.358 0.100 1 443 46 46 TYR CB C 38.277 0.100 1 444 46 46 TYR CD1 C 132.298 0.100 3 445 46 46 TYR CD2 C 132.298 0.100 3 446 46 46 TYR CE1 C 118.358 0.100 3 447 46 46 TYR CE2 C 118.358 0.100 3 448 46 46 TYR N N 118.766 0.200 1 449 47 47 VAL H H 7.770 0.005 1 450 47 47 VAL HA H 3.505 0.005 1 451 47 47 VAL HB H 2.287 0.005 1 452 47 47 VAL HG1 H 0.906 0.005 1 453 47 47 VAL HG2 H 1.353 0.005 1 454 47 47 VAL C C 177.907 0.500 1 455 47 47 VAL CA C 66.408 0.100 1 456 47 47 VAL CB C 31.476 0.100 1 457 47 47 VAL CG1 C 21.764 0.100 2 458 47 47 VAL N N 116.785 0.200 1 459 48 48 ILE H H 8.064 0.005 1 460 48 48 ILE HA H 3.513 0.005 1 461 48 48 ILE HB H 1.927 0.005 1 462 48 48 ILE HG12 H 1.220 0.005 2 463 48 48 ILE HG13 H 1.220 0.005 2 464 48 48 ILE HG2 H 0.960 0.005 1 465 48 48 ILE HD1 H 0.781 0.005 1 466 48 48 ILE C C 178.514 0.500 1 467 48 48 ILE CA C 65.219 0.100 1 468 48 48 ILE CB C 36.169 0.100 1 469 48 48 ILE CG1 C 27.884 0.100 1 470 48 48 ILE CG2 C 18.341 0.100 1 471 48 48 ILE CD1 C 12.254 0.100 1 472 48 48 ILE N N 119.882 0.200 1 473 49 49 ASP H H 9.334 0.005 1 474 49 49 ASP HA H 4.364 0.005 1 475 49 49 ASP HB2 H 2.338 0.005 2 476 49 49 ASP HB3 H 2.850 0.005 2 477 49 49 ASP C C 179.463 0.500 1 478 49 49 ASP CA C 57.187 0.100 1 479 49 49 ASP CB C 40.524 0.100 1 480 49 49 ASP N N 121.122 0.200 1 481 50 50 LYS H H 7.820 0.005 1 482 50 50 LYS HA H 3.741 0.005 1 483 50 50 LYS HB2 H 1.906 0.005 2 484 50 50 LYS HB3 H 1.906 0.005 2 485 50 50 LYS HG2 H 1.070 0.005 2 486 50 50 LYS HG3 H 1.493 0.005 2 487 50 50 LYS HE2 H 3.053 0.005 2 488 50 50 LYS HE3 H 3.053 0.005 2 489 50 50 LYS C C 178.395 0.500 1 490 50 50 LYS CA C 58.245 0.100 1 491 50 50 LYS CB C 32.666 0.100 1 492 50 50 LYS CG C 24.337 0.100 1 493 50 50 LYS CD C 28.147 0.100 1 494 50 50 LYS CE C 41.931 0.100 1 495 50 50 LYS N N 118.171 0.200 1 496 51 51 PHE H H 8.097 0.005 1 497 51 51 PHE HA H 4.970 0.005 1 498 51 51 PHE HB2 H 3.505 0.005 2 499 51 51 PHE HB3 H 3.255 0.005 2 500 51 51 PHE HD1 H 7.419 0.005 3 501 51 51 PHE HD2 H 7.419 0.005 3 502 51 51 PHE HZ H 7.356 0.005 1 503 51 51 PHE C C 177.269 0.500 1 504 51 51 PHE CA C 57.816 0.100 1 505 51 51 PHE CB C 42.126 0.100 1 506 51 51 PHE CD1 C 133.022 0.100 3 507 51 51 PHE CD2 C 133.022 0.100 3 508 51 51 PHE CZ C 129.534 0.100 1 509 51 51 PHE N N 112.768 0.200 1 510 52 52 GLY H H 9.241 0.005 1 511 52 52 GLY HA2 H 4.687 0.005 1 512 52 52 GLY HA3 H 3.453 0.005 1 513 52 52 GLY C C 173.858 0.500 1 514 52 52 GLY CA C 47.238 0.100 1 515 52 52 GLY N N 108.950 0.200 1 516 53 53 LEU H H 8.216 0.005 1 517 53 53 LEU HA H 3.824 0.005 1 518 53 53 LEU HB2 H 1.703 0.005 2 519 53 53 LEU HB3 H 1.703 0.005 2 520 53 53 LEU HG H 0.721 0.005 1 521 53 53 LEU HD1 H 0.909 0.005 1 522 53 53 LEU HD2 H 0.684 0.005 1 523 53 53 LEU C C 177.499 0.500 1 524 53 53 LEU CA C 58.047 0.100 1 525 53 53 LEU CB C 40.430 0.100 1 526 53 53 LEU CG C 26.205 0.100 1 527 53 53 LEU CD2 C 23.408 0.100 2 528 53 53 LEU N N 118.508 0.200 1 529 54 54 ASP H H 7.948 0.005 1 530 54 54 ASP HA H 5.008 0.005 1 531 54 54 ASP HB2 H 3.438 0.005 2 532 54 54 ASP HB3 H 2.518 0.005 2 533 54 54 ASP C C 175.103 0.500 1 534 54 54 ASP CA C 53.462 0.100 1 535 54 54 ASP CB C 41.298 0.100 1 536 54 54 ASP N N 111.696 0.200 1 537 55 55 GLN H H 7.246 0.005 1 538 55 55 GLN HA H 4.084 0.005 1 539 55 55 GLN HB2 H 2.076 0.005 2 540 55 55 GLN HB3 H 1.959 0.005 2 541 55 55 GLN HG2 H 2.607 0.005 2 542 55 55 GLN HG3 H 2.551 0.005 2 543 55 55 GLN HE21 H 7.516 0.005 1 544 55 55 GLN HE22 H 6.795 0.005 1 545 55 55 GLN C C 175.422 0.500 1 546 55 55 GLN CA C 55.350 0.100 1 547 55 55 GLN CB C 28.435 0.100 1 548 55 55 GLN CG C 32.249 0.100 1 549 55 55 GLN N N 120.306 0.200 1 550 55 55 GLN NE2 N 109.758 0.200 1 551 56 56 GLU H H 8.600 0.005 1 552 56 56 GLU HA H 4.103 0.005 1 553 56 56 GLU HB2 H 1.900 0.005 2 554 56 56 GLU HB3 H 2.104 0.005 2 555 56 56 GLU HG2 H 2.322 0.005 2 556 56 56 GLU HG3 H 2.322 0.005 2 557 56 56 GLU C C 179.062 0.500 1 558 56 56 GLU CA C 58.339 0.100 1 559 56 56 GLU CB C 29.605 0.100 1 560 56 56 GLU CG C 36.492 0.100 1 561 56 56 GLU N N 126.522 0.200 1 562 57 57 GLY H H 9.446 0.005 1 563 57 57 GLY HA2 H 4.168 0.005 1 564 57 57 GLY HA3 H 3.782 0.005 1 565 57 57 GLY CA C 47.164 0.100 1 566 57 57 GLY N N 113.902 0.200 1 567 65 65 VAL HA H 3.753 0.005 1 568 65 65 VAL HB H 2.156 0.005 1 569 65 65 VAL HG1 H 1.020 0.005 1 570 65 65 VAL HG2 H 1.020 0.005 1 571 65 65 VAL C C 177.823 0.500 1 572 65 65 VAL CA C 65.639 0.100 1 573 65 65 VAL CB C 31.763 0.100 1 574 65 65 VAL CG2 C 20.841 0.100 2 575 66 66 LEU H H 8.268 0.005 1 576 66 66 LEU HA H 4.144 0.005 1 577 66 66 LEU HB2 H 1.567 0.005 2 578 66 66 LEU HB3 H 1.567 0.005 2 579 66 66 LEU HG H 1.680 0.005 1 580 66 66 LEU HD1 H 0.978 0.005 1 581 66 66 LEU HD2 H 0.978 0.005 1 582 66 66 LEU C C 179.470 0.500 1 583 66 66 LEU CA C 58.132 0.100 1 584 66 66 LEU CB C 41.389 0.100 1 585 66 66 LEU CG C 27.229 0.100 1 586 66 66 LEU CD2 C 23.702 0.100 2 587 66 66 LEU N N 121.868 0.200 1 588 67 67 ASP H H 7.415 0.005 1 589 67 67 ASP HA H 4.478 0.005 1 590 67 67 ASP HB2 H 2.790 0.005 2 591 67 67 ASP HB3 H 2.790 0.005 2 592 67 67 ASP C C 179.039 0.500 1 593 67 67 ASP CA C 57.802 0.100 1 594 67 67 ASP CB C 40.934 0.100 1 595 67 67 ASP N N 119.758 0.200 1 596 68 68 VAL H H 7.709 0.005 1 597 68 68 VAL HA H 3.478 0.005 1 598 68 68 VAL HB H 2.102 0.005 1 599 68 68 VAL HG1 H 0.975 0.005 1 600 68 68 VAL HG2 H 0.975 0.005 1 601 68 68 VAL C C 177.402 0.500 1 602 68 68 VAL CA C 66.943 0.100 1 603 68 68 VAL CB C 31.808 0.100 1 604 68 68 VAL CG2 C 21.593 0.100 2 605 68 68 VAL N N 120.276 0.200 1 606 69 69 SER H H 8.304 0.005 1 607 69 69 SER HA H 4.112 0.005 1 608 69 69 SER HB2 H 3.955 0.005 2 609 69 69 SER HB3 H 3.955 0.005 2 610 69 69 SER C C 176.066 0.500 1 611 69 69 SER CA C 62.055 0.100 1 612 69 69 SER CB C 62.955 0.100 1 613 69 69 SER N N 114.666 0.200 1 614 70 70 LYS H H 7.740 0.005 1 615 70 70 LYS HA H 4.093 0.005 1 616 70 70 LYS HB2 H 1.947 0.005 2 617 70 70 LYS HB3 H 1.975 0.005 2 618 70 70 LYS HG2 H 1.612 0.005 2 619 70 70 LYS HG3 H 1.612 0.005 2 620 70 70 LYS HD2 H 1.732 0.005 2 621 70 70 LYS HD3 H 1.732 0.005 2 622 70 70 LYS HE2 H 2.964 0.005 2 623 70 70 LYS HE3 H 2.964 0.005 2 624 70 70 LYS C C 178.348 0.500 1 625 70 70 LYS CA C 59.261 0.100 1 626 70 70 LYS CB C 32.374 0.100 1 627 70 70 LYS CG C 24.754 0.100 1 628 70 70 LYS CD C 28.800 0.100 1 629 70 70 LYS CE C 42.101 0.100 1 630 70 70 LYS N N 121.377 0.200 1 631 71 71 LEU H H 7.287 0.005 1 632 71 71 LEU HA H 4.973 0.005 1 633 71 71 LEU HB2 H 1.251 0.005 2 634 71 71 LEU HB3 H 1.251 0.005 2 635 71 71 LEU HG H 1.639 0.005 1 636 71 71 LEU HD1 H 0.926 0.005 2 637 71 71 LEU HD2 H 0.926 0.005 2 638 71 71 LEU C C 178.266 0.500 1 639 71 71 LEU CA C 57.551 0.100 1 640 71 71 LEU CB C 42.287 0.100 1 641 71 71 LEU CG C 29.430 0.100 1 642 71 71 LEU CD2 C 26.356 0.100 2 643 71 71 LEU N N 119.633 0.200 1 644 72 72 LYS H H 8.209 0.005 1 645 72 72 LYS HA H 3.462 0.005 1 646 72 72 LYS HB2 H 1.777 0.005 2 647 72 72 LYS HB3 H 1.777 0.005 2 648 72 72 LYS HG2 H 1.130 0.005 2 649 72 72 LYS HG3 H 1.130 0.005 2 650 72 72 LYS HD2 H 1.116 0.005 2 651 72 72 LYS HD3 H 1.116 0.005 2 652 72 72 LYS HE2 H 2.787 0.005 2 653 72 72 LYS HE3 H 2.787 0.005 2 654 72 72 LYS C C 177.556 0.500 1 655 72 72 LYS CA C 59.769 0.100 1 656 72 72 LYS CB C 32.760 0.100 1 657 72 72 LYS CG C 23.604 0.100 1 658 72 72 LYS CD C 29.518 0.100 1 659 72 72 LYS CE C 41.859 0.100 1 660 72 72 LYS N N 119.001 0.200 1 661 73 73 GLU H H 7.965 0.005 1 662 73 73 GLU HA H 4.043 0.005 1 663 73 73 GLU HB2 H 2.122 0.005 2 664 73 73 GLU HB3 H 2.122 0.005 2 665 73 73 GLU HG2 H 2.420 0.005 2 666 73 73 GLU HG3 H 2.286 0.005 2 667 73 73 GLU C C 179.856 0.500 1 668 73 73 GLU CA C 59.353 0.100 1 669 73 73 GLU CB C 29.211 0.100 1 670 73 73 GLU CG C 36.562 0.100 1 671 73 73 GLU N N 116.538 0.200 1 672 74 74 GLU H H 7.960 0.005 1 673 74 74 GLU HA H 4.118 0.005 1 674 74 74 GLU HB3 H 2.145 0.005 2 675 74 74 GLU HG2 H 2.466 0.005 2 676 74 74 GLU HG3 H 2.349 0.005 2 677 74 74 GLU C C 180.000 0.500 1 678 74 74 GLU CA C 59.310 0.100 1 679 74 74 GLU CB C 29.650 0.100 1 680 74 74 GLU CG C 36.601 0.100 1 681 74 74 GLU N N 118.830 0.200 1 682 75 75 ILE H H 8.331 0.005 1 683 75 75 ILE HA H 4.205 0.005 1 684 75 75 ILE HB H 2.128 0.005 1 685 75 75 ILE HG2 H 1.099 0.005 1 686 75 75 ILE HD1 H 0.934 0.005 1 687 75 75 ILE C C 177.642 0.500 1 688 75 75 ILE CA C 65.434 0.100 1 689 75 75 ILE CB C 38.056 0.100 1 690 75 75 ILE CG1 C 29.477 0.100 1 691 75 75 ILE CG2 C 17.641 0.100 1 692 75 75 ILE CD1 C 14.494 0.100 1 693 75 75 ILE N N 121.590 0.200 1 694 76 76 ASP H H 8.406 0.005 1 695 76 76 ASP HA H 4.999 0.005 1 696 76 76 ASP HB2 H 2.890 0.005 2 697 76 76 ASP HB3 H 2.616 0.005 2 698 76 76 ASP C C 178.113 0.500 1 699 76 76 ASP CA C 57.314 0.100 1 700 76 76 ASP CB C 41.338 0.100 1 701 76 76 ASP N N 119.603 0.200 1 702 77 77 LYS H H 7.464 0.005 1 703 77 77 LYS HA H 4.086 0.005 1 704 77 77 LYS HB2 H 1.927 0.005 2 705 77 77 LYS HB3 H 1.927 0.005 2 706 77 77 LYS HG2 H 1.475 0.005 2 707 77 77 LYS HG3 H 1.475 0.005 2 708 77 77 LYS HD2 H 1.732 0.005 2 709 77 77 LYS HD3 H 1.732 0.005 2 710 77 77 LYS HE2 H 2.981 0.005 2 711 77 77 LYS HE3 H 2.981 0.005 2 712 77 77 LYS C C 177.436 0.500 1 713 77 77 LYS CA C 58.690 0.100 1 714 77 77 LYS CB C 33.375 0.100 1 715 77 77 LYS CG C 24.968 0.100 1 716 77 77 LYS CD C 29.285 0.100 1 717 77 77 LYS CE C 41.995 0.100 1 718 77 77 LYS N N 116.817 0.200 1 719 78 78 ASP H H 7.336 0.005 1 720 78 78 ASP HA H 4.934 0.005 1 721 78 78 ASP HB2 H 2.855 0.005 2 722 78 78 ASP HB3 H 2.581 0.005 2 723 78 78 ASP C C 173.682 0.500 1 724 78 78 ASP CA C 51.912 0.100 1 725 78 78 ASP CB C 42.739 0.100 1 726 78 78 ASP N N 116.416 0.200 1 727 79 79 PRO HA H 4.412 0.005 1 728 79 79 PRO HB2 H 2.232 0.005 2 729 79 79 PRO HB3 H 2.232 0.005 2 730 79 79 PRO HG2 H 1.920 0.005 2 731 79 79 PRO HG3 H 1.920 0.005 2 732 79 79 PRO HD2 H 3.778 0.005 2 733 79 79 PRO HD3 H 3.778 0.005 2 734 79 79 PRO C C 179.069 0.500 1 735 79 79 PRO CA C 64.806 0.100 1 736 79 79 PRO CB C 31.989 0.100 1 737 79 79 PRO CG C 27.127 0.100 1 738 79 79 PRO CD C 50.613 0.100 1 739 80 80 ALA H H 8.459 0.005 1 740 80 80 ALA HA H 4.231 0.005 1 741 80 80 ALA HB H 1.399 0.005 1 742 80 80 ALA C C 179.906 0.500 1 743 80 80 ALA CA C 54.168 0.100 1 744 80 80 ALA CB C 18.324 0.100 1 745 80 80 ALA N N 121.519 0.200 1 746 81 81 ASN H H 8.406 0.005 1 747 81 81 ASN HA H 4.076 0.005 1 748 81 81 ASN HB2 H 2.904 0.005 2 749 81 81 ASN HB3 H 3.001 0.005 2 750 81 81 ASN HD21 H 7.924 0.005 1 751 81 81 ASN HD22 H 7.093 0.005 1 752 81 81 ASN C C 176.909 0.500 1 753 81 81 ASN CA C 54.129 0.100 1 754 81 81 ASN CB C 37.496 0.100 1 755 81 81 ASN N N 115.755 0.200 1 756 81 81 ASN ND2 N 113.837 0.200 1 757 82 82 ILE H H 7.664 0.005 1 758 82 82 ILE HA H 3.771 0.005 1 759 82 82 ILE HB H 1.950 0.005 1 760 82 82 ILE HG12 H 1.156 0.005 2 761 82 82 ILE HG13 H 1.156 0.005 2 762 82 82 ILE HG2 H 0.929 0.005 1 763 82 82 ILE HD1 H 0.899 0.005 1 764 82 82 ILE C C 176.228 0.500 1 765 82 82 ILE CA C 65.455 0.100 1 766 82 82 ILE CB C 38.229 0.100 1 767 82 82 ILE CG1 C 29.714 0.100 1 768 82 82 ILE CG2 C 17.617 0.100 1 769 82 82 ILE CD1 C 14.413 0.100 1 770 82 82 ILE N N 120.701 0.200 1 771 83 83 SER H H 8.046 0.005 1 772 83 83 SER HA H 4.141 0.005 1 773 83 83 SER HB2 H 3.965 0.005 2 774 83 83 SER HB3 H 3.965 0.005 2 775 83 83 SER C C 175.422 0.500 1 776 83 83 SER CA C 60.989 0.100 1 777 83 83 SER CB C 62.852 0.100 1 778 83 83 SER N N 114.969 0.200 1 779 84 84 MET H H 7.676 0.005 1 780 84 84 MET HA H 4.412 0.005 1 781 84 84 MET HB2 H 2.145 0.005 2 782 84 84 MET HB3 H 2.145 0.005 2 783 84 84 MET HG2 H 2.654 0.005 2 784 84 84 MET HG3 H 2.654 0.005 2 785 84 84 MET HE H 2.089 0.005 1 786 84 84 MET C C 176.719 0.500 1 787 84 84 MET CA C 56.862 0.100 1 788 84 84 MET CB C 33.167 0.100 1 789 84 84 MET CE C 17.124 0.100 1 790 84 84 MET N N 118.951 0.200 1 791 85 85 ILE H H 7.490 0.005 1 792 85 85 ILE HA H 3.901 0.005 1 793 85 85 ILE HB H 1.860 0.005 1 794 85 85 ILE HG12 H 1.214 0.005 2 795 85 85 ILE HG13 H 1.529 0.005 2 796 85 85 ILE HG2 H 0.973 0.005 1 797 85 85 ILE HD1 H 0.903 0.005 1 798 85 85 ILE C C 175.492 0.500 1 799 85 85 ILE CA C 62.878 0.100 1 800 85 85 ILE CB C 39.081 0.100 1 801 85 85 ILE CG1 C 28.006 0.100 1 802 85 85 ILE CG2 C 17.744 0.100 1 803 85 85 ILE CD1 C 14.587 0.100 1 804 85 85 ILE N N 117.244 0.200 1 805 86 86 LEU H H 7.392 0.005 1 806 86 86 LEU HA H 4.448 0.005 1 807 86 86 LEU HB2 H 1.649 0.005 2 808 86 86 LEU HB3 H 1.649 0.005 2 809 86 86 LEU HG H 1.608 0.005 1 810 86 86 LEU HD1 H 0.913 0.005 1 811 86 86 LEU HD2 H 0.913 0.005 1 812 86 86 LEU CA C 52.752 0.100 1 813 86 86 LEU CB C 42.213 0.100 1 814 86 86 LEU CG C 26.977 0.100 1 815 86 86 LEU CD2 C 24.991 0.100 2 816 86 86 LEU N N 120.066 0.200 1 817 87 87 PRO HA H 4.431 0.005 1 818 87 87 PRO HB2 H 2.300 0.005 2 819 87 87 PRO HB3 H 2.301 0.005 2 820 87 87 PRO HG2 H 1.867 0.005 2 821 87 87 PRO HG3 H 1.867 0.005 2 822 87 87 PRO HD2 H 3.933 0.005 2 823 87 87 PRO HD3 H 3.933 0.005 2 824 87 87 PRO C C 176.878 0.500 1 825 87 87 PRO CA C 62.897 0.100 1 826 87 87 PRO CB C 32.301 0.100 1 827 87 87 PRO CG C 27.523 0.100 1 828 87 87 PRO CD C 50.814 0.100 1 829 88 88 SER H H 8.246 0.005 1 830 88 88 SER HA H 4.415 0.005 1 831 88 88 SER HB2 H 3.837 0.005 2 832 88 88 SER HB3 H 3.837 0.005 2 833 88 88 SER C C 172.770 0.500 1 834 88 88 SER CA C 58.001 0.100 1 835 88 88 SER CB C 64.470 0.100 1 836 88 88 SER N N 116.795 0.200 1 837 89 89 LYS H H 8.066 0.005 1 838 89 89 LYS HA H 4.357 0.005 1 839 89 89 LYS HB2 H 1.799 0.005 2 840 89 89 LYS HB3 H 1.799 0.005 2 841 89 89 LYS HG2 H 1.430 0.005 2 842 89 89 LYS HG3 H 1.430 0.005 2 843 89 89 LYS HD2 H 1.684 0.005 2 844 89 89 LYS HD3 H 1.684 0.005 2 845 89 89 LYS HE2 H 2.969 0.005 2 846 89 89 LYS HE3 H 2.969 0.005 2 847 89 89 LYS CA C 55.747 0.100 1 848 89 89 LYS CB C 33.795 0.100 1 849 89 89 LYS CG C 24.814 0.100 1 850 89 89 LYS CD C 29.296 0.100 1 851 89 89 LYS CE C 42.470 0.100 1 852 89 89 LYS N N 120.985 0.200 1 853 91 91 HIS C C 175.067 0.500 1 854 91 91 HIS CA C 56.659 0.100 1 855 91 91 HIS CB C 30.795 0.100 1 856 92 92 SER H H 8.191 0.005 1 857 92 92 SER HA H 4.483 0.005 1 858 92 92 SER HB2 H 4.291 0.005 2 859 92 92 SER HB3 H 4.291 0.005 2 860 92 92 SER C C 176.411 0.500 1 861 92 92 SER CA C 56.827 0.100 1 862 92 92 SER CB C 65.434 0.100 1 863 92 92 SER N N 114.472 0.200 1 864 93 93 ASP H H 8.810 0.005 1 865 93 93 ASP HA H 4.200 0.005 1 866 93 93 ASP HB2 H 2.643 0.005 2 867 93 93 ASP HB3 H 2.643 0.005 2 868 93 93 ASP C C 178.098 0.500 1 869 93 93 ASP CA C 56.905 0.100 1 870 93 93 ASP CB C 39.510 0.100 1 871 93 93 ASP N N 122.806 0.200 1 872 94 94 SER H H 8.220 0.005 1 873 94 94 SER C C 176.411 0.500 1 874 94 94 SER CA C 61.357 0.100 1 875 94 94 SER CB C 63.044 0.100 1 876 94 94 SER N N 114.642 0.200 1 877 95 95 ASP H H 7.705 0.005 1 878 95 95 ASP HA H 4.485 0.005 1 879 95 95 ASP HB2 H 2.810 0.005 2 880 95 95 ASP HB3 H 2.697 0.005 2 881 95 95 ASP C C 177.641 0.500 1 882 95 95 ASP CA C 57.313 0.100 1 883 95 95 ASP CB C 41.458 0.100 1 884 95 95 ASP N N 122.028 0.200 1 885 96 96 ILE H H 7.490 0.005 1 886 96 96 ILE HA H 3.664 0.005 1 887 96 96 ILE HB H 1.963 0.005 1 888 96 96 ILE HG12 H 1.210 0.005 2 889 96 96 ILE HG13 H 1.489 0.005 2 890 96 96 ILE HG2 H 0.915 0.005 1 891 96 96 ILE HD1 H 0.729 0.005 1 892 96 96 ILE C C 178.134 0.500 1 893 96 96 ILE CA C 62.531 0.100 1 894 96 96 ILE CB C 36.230 0.100 1 895 96 96 ILE CG1 C 27.249 0.100 1 896 96 96 ILE CG2 C 17.519 0.100 1 897 96 96 ILE CD1 C 13.875 0.100 1 898 96 96 ILE N N 119.358 0.200 1 899 97 97 TYR H H 7.605 0.005 1 900 97 97 TYR HA H 4.396 0.005 1 901 97 97 TYR HB2 H 2.962 0.005 2 902 97 97 TYR HB3 H 2.962 0.005 2 903 97 97 TYR HD1 H 7.177 0.005 3 904 97 97 TYR HD2 H 7.177 0.005 3 905 97 97 TYR HE1 H 6.729 0.005 3 906 97 97 TYR HE2 H 6.729 0.005 3 907 97 97 TYR C C 179.812 0.500 1 908 97 97 TYR CA C 60.920 0.100 1 909 97 97 TYR CB C 36.803 0.100 1 910 97 97 TYR CD1 C 132.743 0.100 3 911 97 97 TYR CD2 C 132.743 0.100 3 912 97 97 TYR CE1 C 118.569 0.100 3 913 97 97 TYR CE2 C 118.569 0.100 3 914 97 97 TYR N N 118.286 0.200 1 915 98 98 LEU H H 8.117 0.005 1 916 98 98 LEU HA H 4.023 0.005 1 917 98 98 LEU HB2 H 2.163 0.005 2 918 98 98 LEU HB3 H 2.163 0.005 2 919 98 98 LEU HG H 1.486 0.005 1 920 98 98 LEU HD1 H 1.008 0.005 1 921 98 98 LEU HD2 H 1.008 0.005 1 922 98 98 LEU C C 177.853 0.500 1 923 98 98 LEU CA C 58.760 0.100 1 924 98 98 LEU CB C 41.496 0.100 1 925 98 98 LEU CG C 27.324 0.100 1 926 98 98 LEU CD2 C 24.448 0.100 2 927 98 98 LEU N N 121.936 0.200 1 928 99 99 VAL H H 7.770 0.005 1 929 99 99 VAL HA H 3.777 0.005 1 930 99 99 VAL HB H 2.093 0.005 1 931 99 99 VAL HG1 H 0.932 0.005 1 932 99 99 VAL HG2 H 0.932 0.005 1 933 99 99 VAL C C 178.200 0.500 1 934 99 99 VAL CA C 67.701 0.100 1 935 99 99 VAL CB C 31.427 0.100 1 936 99 99 VAL CG2 C 21.970 0.100 2 937 99 99 VAL N N 119.740 0.200 1 938 100 100 GLY H H 8.304 0.005 1 939 100 100 GLY HA2 H 3.593 0.005 1 940 100 100 GLY HA3 H 4.166 0.005 1 941 100 100 GLY C C 175.765 0.500 1 942 100 100 GLY CA C 48.023 0.100 1 943 100 100 GLY N N 106.445 0.200 1 944 101 101 SER H H 8.493 0.005 1 945 101 101 SER HA H 4.210 0.005 1 946 101 101 SER HB2 H 3.991 0.005 2 947 101 101 SER HB3 H 3.991 0.005 2 948 101 101 SER C C 177.463 0.500 1 949 101 101 SER CA C 62.591 0.100 1 950 101 101 SER CB C 63.652 0.100 1 951 101 101 SER N N 117.427 0.200 1 952 102 102 LEU H H 9.024 0.005 1 953 102 102 LEU HA H 4.112 0.005 1 954 102 102 LEU HB2 H 1.694 0.005 2 955 102 102 LEU HB3 H 1.694 0.005 2 956 102 102 LEU HG H 1.812 0.005 1 957 102 102 LEU HD1 H 0.966 0.005 1 958 102 102 LEU HD2 H 0.966 0.005 1 959 102 102 LEU C C 178.162 0.500 1 960 102 102 LEU CA C 58.133 0.100 1 961 102 102 LEU CB C 41.582 0.100 1 962 102 102 LEU CG C 26.977 0.100 1 963 102 102 LEU CD2 C 24.462 0.100 2 964 102 102 LEU N N 127.389 0.200 1 965 103 103 LEU H H 8.490 0.005 1 966 103 103 LEU HA H 4.358 0.005 1 967 103 103 LEU HB2 H 1.848 0.005 2 968 103 103 LEU HB3 H 1.848 0.005 2 969 103 103 LEU HG H 1.702 0.005 1 970 103 103 LEU HD1 H 0.977 0.005 1 971 103 103 LEU HD2 H 0.977 0.005 1 972 103 103 LEU C C 179.227 0.500 1 973 103 103 LEU CA C 58.553 0.100 1 974 103 103 LEU CB C 42.571 0.100 1 975 103 103 LEU CG C 26.781 0.100 1 976 103 103 LEU CD2 C 24.808 0.100 2 977 103 103 LEU N N 120.891 0.200 1 978 104 104 LYS H H 8.168 0.005 1 979 104 104 LYS HA H 4.092 0.005 1 980 104 104 LYS HB2 H 1.870 0.005 2 981 104 104 LYS HB3 H 1.870 0.005 2 982 104 104 LYS HG2 H 1.000 0.005 2 983 104 104 LYS HG3 H 1.000 0.005 2 984 104 104 LYS HD2 H 1.624 0.005 2 985 104 104 LYS HD3 H 1.624 0.005 2 986 104 104 LYS C C 178.712 0.500 1 987 104 104 LYS CA C 61.033 0.100 1 988 104 104 LYS CB C 31.957 0.100 1 989 104 104 LYS N N 118.513 0.200 1 990 105 105 THR H H 8.427 0.005 1 991 105 105 THR HA H 4.530 0.005 1 992 105 105 THR HB H 4.083 0.005 1 993 105 105 THR HG2 H 1.413 0.005 1 994 105 105 THR C C 177.067 0.500 1 995 105 105 THR CA C 67.256 0.100 1 996 105 105 THR CB C 68.593 0.100 1 997 105 105 THR CG2 C 23.745 0.100 1 998 105 105 THR N N 115.782 0.200 1 999 106 106 PHE H H 8.985 0.005 1 1000 106 106 PHE HA H 4.239 0.005 1 1001 106 106 PHE HB2 H 3.440 0.005 2 1002 106 106 PHE HB3 H 3.311 0.005 2 1003 106 106 PHE HD1 H 7.223 0.005 3 1004 106 106 PHE HD2 H 7.223 0.005 3 1005 106 106 PHE HE1 H 7.496 0.005 3 1006 106 106 PHE HE2 H 7.496 0.005 3 1007 106 106 PHE C C 177.580 0.500 1 1008 106 106 PHE CA C 62.083 0.100 1 1009 106 106 PHE CB C 37.852 0.100 1 1010 106 106 PHE CD1 C 132.350 0.100 3 1011 106 106 PHE CD2 C 132.350 0.100 3 1012 106 106 PHE CE1 C 133.593 0.100 3 1013 106 106 PHE CE2 C 133.593 0.100 3 1014 106 106 PHE N N 125.036 0.200 1 1015 107 107 PHE H H 7.837 0.005 1 1016 107 107 PHE HA H 4.320 0.005 1 1017 107 107 PHE HB2 H 3.185 0.005 2 1018 107 107 PHE HB3 H 3.365 0.005 2 1019 107 107 PHE HD1 H 5.933 0.005 3 1020 107 107 PHE HD2 H 5.933 0.005 3 1021 107 107 PHE HE1 H 6.642 0.005 3 1022 107 107 PHE HE2 H 6.642 0.005 3 1023 107 107 PHE HZ H 6.763 0.005 1 1024 107 107 PHE C C 178.472 0.500 1 1025 107 107 PHE CA C 63.353 0.005 1 1026 107 107 PHE CB C 39.742 0.005 1 1027 107 107 PHE CD1 C 133.333 0.100 3 1028 107 107 PHE CD2 C 133.333 0.100 3 1029 107 107 PHE CE1 C 128.552 0.100 3 1030 107 107 PHE CE2 C 128.552 0.100 3 1031 107 107 PHE N N 117.444 0.200 1 1032 108 108 ALA H H 8.698 0.005 1 1033 108 108 ALA HA H 4.407 0.005 1 1034 108 108 ALA HB H 1.592 0.005 1 1035 108 108 ALA C C 178.468 0.500 1 1036 108 108 ALA CA C 53.944 0.100 1 1037 108 108 ALA CB C 18.977 0.100 1 1038 108 108 ALA N N 121.063 0.200 1 1039 109 109 SER H H 7.549 0.005 1 1040 109 109 SER HA H 4.506 0.005 1 1041 109 109 SER HB2 H 4.090 0.005 2 1042 109 109 SER HB3 H 4.090 0.005 2 1043 109 109 SER C C 173.500 0.500 1 1044 109 109 SER CA C 59.005 0.100 1 1045 109 109 SER CB C 63.992 0.100 1 1046 109 109 SER N N 111.375 0.200 1 1047 110 110 LEU H H 6.806 0.005 1 1048 110 110 LEU HA H 4.043 0.005 1 1049 110 110 LEU HB2 H 1.826 0.005 2 1050 110 110 LEU HB3 H 1.826 0.005 2 1051 110 110 LEU HG H 1.557 0.005 1 1052 110 110 LEU HD1 H 1.032 0.005 1 1053 110 110 LEU HD2 H 0.707 0.005 1 1054 110 110 LEU C C 176.943 0.500 1 1055 110 110 LEU CA C 53.865 0.100 1 1056 110 110 LEU CB C 42.830 0.100 1 1057 110 110 LEU CG C 27.021 0.100 1 1058 110 110 LEU CD2 C 23.518 0.100 2 1059 110 110 LEU N N 123.095 0.200 1 1060 111 111 PRO HA H 4.360 0.005 1 1061 111 111 PRO HB2 H 2.167 0.005 2 1062 111 111 PRO HB3 H 2.167 0.005 2 1063 111 111 PRO HG2 H 2.043 0.005 2 1064 111 111 PRO HG3 H 2.043 0.005 2 1065 111 111 PRO HD2 H 3.657 0.005 2 1066 111 111 PRO HD3 H 3.657 0.005 2 1067 111 111 PRO C C 175.262 0.500 1 1068 111 111 PRO CA C 64.027 0.100 1 1069 111 111 PRO CB C 31.330 0.100 1 1070 111 111 PRO CG C 27.392 0.100 1 1071 111 111 PRO CD C 51.094 0.100 1 1072 112 112 ASP H H 7.139 0.005 1 1073 112 112 ASP HA H 4.827 0.005 1 1074 112 112 ASP HB2 H 2.564 0.005 2 1075 112 112 ASP HB3 H 2.676 0.005 2 1076 112 112 ASP C C 175.380 0.500 1 1077 112 112 ASP CA C 51.827 0.100 1 1078 112 112 ASP CB C 43.416 0.100 1 1079 112 112 ASP N N 115.829 0.200 1 1080 113 113 SER H H 8.478 0.005 1 1081 113 113 SER HA H 4.223 0.005 1 1082 113 113 SER HB2 H 4.527 0.005 2 1083 113 113 SER HB3 H 4.527 0.005 2 1084 113 113 SER C C 176.650 0.500 1 1085 113 113 SER CA C 57.112 0.100 1 1086 113 113 SER CB C 63.034 0.100 1 1087 113 113 SER N N 117.952 0.200 1 1088 114 114 VAL H H 8.180 0.005 1 1089 114 114 VAL HA H 3.875 0.005 1 1090 114 114 VAL HB H 2.210 0.005 1 1091 114 114 VAL HG1 H 1.105 0.005 1 1092 114 114 VAL HG2 H 1.312 0.005 1 1093 114 114 VAL C C 175.481 0.500 1 1094 114 114 VAL CA C 66.136 0.100 1 1095 114 114 VAL CB C 31.394 0.100 1 1096 114 114 VAL CG1 C 22.312 0.100 2 1097 114 114 VAL N N 120.909 0.200 1 1098 115 115 LEU H H 6.966 0.005 1 1099 115 115 LEU HA H 4.933 0.005 1 1100 115 115 LEU HB2 H 2.273 0.005 2 1101 115 115 LEU HB3 H 2.273 0.005 2 1102 115 115 LEU HG H 1.221 0.005 1 1103 115 115 LEU HD1 H 0.807 0.005 1 1104 115 115 LEU HD2 H 0.807 0.005 1 1105 115 115 LEU CA C 51.856 0.100 1 1106 115 115 LEU CB C 42.057 0.100 1 1107 115 115 LEU CG C 29.326 0.100 1 1108 115 115 LEU CD2 C 24.774 0.100 2 1109 115 115 LEU N N 115.532 0.200 1 1110 116 116 PRO HA H 4.108 0.005 1 1111 117 117 LYS H H 9.973 0.005 1 1112 117 117 LYS HA H 4.391 0.005 1 1113 117 117 LYS C C 179.943 0.500 1 1114 117 117 LYS CA C 60.727 0.100 1 1115 117 117 LYS CB C 31.866 0.100 1 1116 117 117 LYS N N 114.433 0.200 1 1117 118 118 ALA H H 9.152 0.005 1 1118 118 118 ALA HA H 4.310 0.005 1 1119 118 118 ALA HB H 1.703 0.005 1 1120 118 118 ALA C C 179.123 0.500 1 1121 118 118 ALA CA C 54.369 0.100 1 1122 118 118 ALA CB C 18.385 0.100 1 1123 118 118 ALA N N 121.517 0.200 1 1124 119 119 LEU H H 8.339 0.005 1 1125 119 119 LEU HA H 4.701 0.005 1 1126 119 119 LEU HB2 H 1.851 0.005 2 1127 119 119 LEU HB3 H 1.851 0.005 2 1128 119 119 LEU HG H 1.506 0.005 1 1129 119 119 LEU HD1 H 0.959 0.005 1 1130 119 119 LEU HD2 H 0.991 0.005 1 1131 119 119 LEU C C 178.811 0.500 1 1132 119 119 LEU CA C 54.508 0.100 1 1133 119 119 LEU CB C 42.974 0.100 1 1134 119 119 LEU CG C 26.909 0.100 1 1135 119 119 LEU CD1 C 26.020 0.100 2 1136 119 119 LEU N N 116.830 0.200 1 1137 120 120 SER H H 8.479 0.005 1 1138 120 120 SER HA H 4.507 0.005 1 1139 120 120 SER HB2 H 3.864 0.005 2 1140 120 120 SER HB3 H 3.864 0.005 2 1141 120 120 SER C C 176.111 0.500 1 1142 120 120 SER CA C 63.459 0.100 1 1143 120 120 SER CB C 63.290 0.100 1 1144 120 120 SER N N 117.959 0.200 1 1145 121 121 SER H H 8.418 0.005 1 1146 121 121 SER HA H 4.217 0.005 1 1147 121 121 SER HB2 H 4.066 0.005 2 1148 121 121 SER HB3 H 4.066 0.005 2 1149 121 121 SER C C 176.526 0.500 1 1150 121 121 SER CA C 62.468 0.100 1 1151 121 121 SER CB C 63.281 0.100 1 1152 121 121 SER N N 116.386 0.200 1 1153 122 122 GLU H H 7.842 0.005 1 1154 122 122 GLU HA H 4.131 0.005 1 1155 122 122 GLU HB2 H 2.229 0.005 2 1156 122 122 GLU HB3 H 2.229 0.005 2 1157 122 122 GLU HG2 H 2.378 0.005 2 1158 122 122 GLU HG3 H 2.423 0.005 2 1159 122 122 GLU C C 179.218 0.500 1 1160 122 122 GLU CA C 59.088 0.100 1 1161 122 122 GLU CB C 30.212 0.100 1 1162 122 122 GLU CG C 36.623 0.100 1 1163 122 122 GLU N N 123.033 0.200 1 1164 123 123 ILE H H 8.526 0.005 1 1165 123 123 ILE HA H 3.457 0.005 1 1166 123 123 ILE HB H 1.964 0.005 1 1167 123 123 ILE HG12 H 0.496 0.005 2 1168 123 123 ILE HG13 H 1.887 0.005 2 1169 123 123 ILE HG2 H 0.564 0.005 1 1170 123 123 ILE HD1 H 0.711 0.005 1 1171 123 123 ILE C C 176.929 0.500 1 1172 123 123 ILE CA C 65.661 0.100 1 1173 123 123 ILE CB C 37.508 0.100 1 1174 123 123 ILE CG1 C 29.963 0.100 1 1175 123 123 ILE CG2 C 18.287 0.100 1 1176 123 123 ILE CD1 C 13.707 0.100 1 1177 123 123 ILE N N 120.789 0.200 1 1178 124 124 LYS H H 8.067 0.005 1 1179 124 124 LYS HA H 4.656 0.005 1 1180 124 124 LYS HB2 H 1.841 0.005 2 1181 124 124 LYS HB3 H 1.652 0.005 2 1182 124 124 LYS HG2 H 1.581 0.005 2 1183 124 124 LYS HG3 H 1.581 0.005 2 1184 124 124 LYS HD2 H 1.602 0.005 2 1185 124 124 LYS HD3 H 1.602 0.005 2 1186 124 124 LYS HE2 H 3.233 0.005 2 1187 124 124 LYS HE3 H 3.233 0.005 2 1188 124 124 LYS HZ H 6.657 0.005 1 1189 124 124 LYS C C 178.106 0.500 1 1190 124 124 LYS CA C 59.162 0.100 1 1191 124 124 LYS CB C 28.591 0.100 1 1192 124 124 LYS CG C 26.622 0.100 1 1193 124 124 LYS CD C 26.634 0.100 1 1194 124 124 LYS CE C 41.850 0.100 1 1195 124 124 LYS N N 120.276 0.200 1 1196 124 124 LYS NZ N 30.076 0.200 1 1197 125 125 VAL H H 7.300 0.005 1 1198 125 125 VAL HA H 4.124 0.005 1 1199 125 125 VAL HB H 2.227 0.005 1 1200 125 125 VAL HG1 H 0.651 0.005 1 1201 125 125 VAL HG2 H 1.108 0.005 1 1202 125 125 VAL C C 178.064 0.500 1 1203 125 125 VAL CA C 66.910 0.100 1 1204 125 125 VAL CB C 31.185 0.100 1 1205 125 125 VAL CG1 C 21.579 0.100 2 1206 125 125 VAL N N 118.227 0.200 1 1207 126 126 CYS H H 7.857 0.005 1 1208 126 126 CYS HA H 3.229 0.005 1 1209 126 126 CYS HB2 H 3.168 0.005 2 1210 126 126 CYS HB3 H 3.168 0.005 2 1211 126 126 CYS C C 175.936 0.500 1 1212 126 126 CYS CA C 61.942 0.100 1 1213 126 126 CYS CB C 27.696 0.100 1 1214 126 126 CYS N N 119.469 0.200 1 1215 127 127 LEU H H 7.960 0.005 1 1216 127 127 LEU HA H 3.860 0.005 1 1217 127 127 LEU HB2 H 1.726 0.005 2 1218 127 127 LEU HB3 H 1.726 0.005 2 1219 127 127 LEU HG H 0.434 0.005 1 1220 127 127 LEU HD1 H 0.535 0.005 1 1221 127 127 LEU HD2 H 0.535 0.005 1 1222 127 127 LEU C C 178.157 0.500 1 1223 127 127 LEU CA C 56.648 0.100 1 1224 127 127 LEU CB C 40.885 0.100 1 1225 127 127 LEU CG C 25.950 0.100 1 1226 127 127 LEU CD2 C 22.340 0.100 2 1227 127 127 LEU N N 112.611 0.200 1 1228 128 128 GLN H H 7.409 0.005 1 1229 128 128 GLN HA H 4.214 0.005 1 1230 128 128 GLN HB2 H 2.088 0.005 2 1231 128 128 GLN HB3 H 2.088 0.005 2 1232 128 128 GLN HG2 H 2.366 0.005 2 1233 128 128 GLN HG3 H 2.657 0.005 2 1234 128 128 GLN HE21 H 6.769 0.005 1 1235 128 128 GLN HE22 H 7.356 0.005 1 1236 128 128 GLN C C 176.358 0.500 1 1237 128 128 GLN CA C 55.986 0.100 1 1238 128 128 GLN CB C 29.306 0.100 1 1239 128 128 GLN CG C 34.241 0.100 1 1240 128 128 GLN N N 116.104 0.200 1 1241 128 128 GLN NE2 N 110.535 0.200 1 1242 129 129 ILE H H 7.445 0.005 1 1243 129 129 ILE HA H 3.737 0.005 1 1244 129 129 ILE HB H 1.881 0.005 1 1245 129 129 ILE HG12 H 1.928 0.005 2 1246 129 129 ILE HG13 H 1.928 0.005 2 1247 129 129 ILE HG2 H 0.939 0.005 1 1248 129 129 ILE HD1 H 0.573 0.005 1 1249 129 129 ILE C C 176.580 0.500 1 1250 129 129 ILE CA C 62.822 0.100 1 1251 129 129 ILE CB C 38.513 0.100 1 1252 129 129 ILE CG1 C 27.600 0.100 1 1253 129 129 ILE CG2 C 17.918 0.100 1 1254 129 129 ILE CD1 C 14.926 0.100 1 1255 129 129 ILE N N 122.915 0.200 1 1256 130 130 GLU H H 8.491 0.005 1 1257 130 130 GLU HA H 4.018 0.005 1 1258 130 130 GLU HB2 H 2.080 0.005 2 1259 130 130 GLU HB3 H 2.001 0.005 2 1260 130 130 GLU HG2 H 2.249 0.005 2 1261 130 130 GLU HG3 H 2.249 0.005 2 1262 130 130 GLU C C 176.910 0.500 1 1263 130 130 GLU CA C 58.735 0.100 1 1264 130 130 GLU CB C 30.683 0.100 1 1265 130 130 GLU CG C 36.660 0.100 1 1266 130 130 GLU N N 128.608 0.200 1 1267 131 131 ASP H H 7.680 0.005 1 1268 131 131 ASP HA H 4.895 0.005 1 1269 131 131 ASP HB2 H 2.586 0.005 2 1270 131 131 ASP HB3 H 2.813 0.005 2 1271 131 131 ASP C C 174.837 0.500 1 1272 131 131 ASP CA C 52.189 0.100 1 1273 131 131 ASP CB C 43.159 0.100 1 1274 131 131 ASP N N 120.954 0.200 1 1275 132 132 PRO HA H 4.088 0.005 1 1276 132 132 PRO HB2 H 2.057 0.005 2 1277 132 132 PRO HB3 H 2.366 0.005 2 1278 132 132 PRO HG2 H 2.145 0.005 2 1279 132 132 PRO HG3 H 2.145 0.005 2 1280 132 132 PRO C C 179.113 0.500 1 1281 132 132 PRO CA C 65.752 0.100 1 1282 132 132 PRO CB C 32.535 0.100 1 1283 132 132 PRO CG C 27.686 0.100 1 1284 133 133 THR H H 8.004 0.005 1 1285 133 133 THR HA H 4.144 0.005 1 1286 133 133 THR HB H 4.209 0.005 1 1287 133 133 THR HG2 H 1.223 0.005 1 1288 133 133 THR C C 175.909 0.500 1 1289 133 133 THR CA C 67.252 0.100 1 1290 133 133 THR CB C 67.957 0.100 1 1291 133 133 THR CG2 C 21.830 0.100 1 1292 133 133 THR N N 115.550 0.200 1 1293 134 134 THR H H 8.081 0.005 1 1294 134 134 THR HA H 3.959 0.005 1 1295 134 134 THR HB H 4.184 0.005 1 1296 134 134 THR HG2 H 1.391 0.005 1 1297 134 134 THR C C 176.589 0.500 1 1298 134 134 THR CA C 66.985 0.100 1 1299 134 134 THR CB C 68.088 0.100 1 1300 134 134 THR CG2 C 22.120 0.100 1 1301 134 134 THR N N 120.312 0.200 1 1302 135 135 ARG H H 8.545 0.005 1 1303 135 135 ARG HA H 3.918 0.005 1 1304 135 135 ARG HB2 H 1.897 0.005 2 1305 135 135 ARG HB3 H 1.897 0.005 2 1306 135 135 ARG HG2 H 1.754 0.005 2 1307 135 135 ARG HG3 H 1.754 0.005 2 1308 135 135 ARG HD2 H 3.229 0.005 1 1309 135 135 ARG HD3 H 3.229 0.005 1 1310 135 135 ARG C C 177.731 0.500 1 1311 135 135 ARG CA C 60.822 0.100 1 1312 135 135 ARG CB C 30.981 0.100 1 1313 135 135 ARG CG C 27.074 0.100 1 1314 135 135 ARG CD C 42.646 0.100 1 1315 135 135 ARG N N 124.759 0.200 1 1316 136 136 LYS H H 7.987 0.005 1 1317 136 136 LYS HA H 3.966 0.005 1 1318 136 136 LYS HB2 H 1.989 0.005 2 1319 136 136 LYS HB3 H 1.989 0.005 2 1320 136 136 LYS HG2 H 1.699 0.005 2 1321 136 136 LYS HG3 H 1.699 0.005 2 1322 136 136 LYS HD2 H 1.836 0.005 2 1323 136 136 LYS HD3 H 1.836 0.005 2 1324 136 136 LYS HE2 H 3.123 0.005 2 1325 136 136 LYS HE3 H 3.123 0.005 2 1326 136 136 LYS C C 178.337 0.500 1 1327 136 136 LYS CA C 60.608 0.100 1 1328 136 136 LYS CB C 32.009 0.100 1 1329 136 136 LYS CG C 25.151 0.100 1 1330 136 136 LYS CD C 29.477 0.100 1 1331 136 136 LYS CE C 41.932 0.100 1 1332 136 136 LYS N N 118.559 0.200 1 1333 137 137 ASN H H 8.232 0.005 1 1334 137 137 ASN HA H 4.403 0.005 1 1335 137 137 ASN HB2 H 2.951 0.005 2 1336 137 137 ASN HB3 H 2.951 0.005 2 1337 137 137 ASN HD21 H 6.781 0.005 1 1338 137 137 ASN HD22 H 7.516 0.005 1 1339 137 137 ASN C C 178.080 0.500 1 1340 137 137 ASN CA C 56.020 0.100 1 1341 137 137 ASN CB C 37.677 0.100 1 1342 137 137 ASN N N 118.083 0.200 1 1343 137 137 ASN ND2 N 110.926 0.200 1 1344 138 138 PHE H H 8.491 0.005 1 1345 138 138 PHE HA H 4.109 0.005 1 1346 138 138 PHE HB2 H 3.453 0.005 2 1347 138 138 PHE HB3 H 3.028 0.005 2 1348 138 138 PHE HD1 H 7.101 0.005 3 1349 138 138 PHE HD2 H 7.101 0.005 3 1350 138 138 PHE HE1 H 7.401 0.005 3 1351 138 138 PHE HE2 H 7.401 0.005 3 1352 138 138 PHE HZ H 7.487 0.005 1 1353 138 138 PHE C C 179.113 0.500 1 1354 138 138 PHE CA C 61.204 0.100 1 1355 138 138 PHE CB C 39.581 0.100 1 1356 138 138 PHE CD1 C 131.719 0.100 3 1357 138 138 PHE CD2 C 131.719 0.100 3 1358 138 138 PHE CE1 C 132.282 0.100 3 1359 138 138 PHE CE2 C 132.282 0.100 3 1360 138 138 PHE CZ C 133.600 0.100 1 1361 138 138 PHE N N 123.939 0.200 1 1362 139 139 MET H H 8.288 0.005 1 1363 139 139 MET HA H 4.488 0.005 1 1364 139 139 MET HB2 H 2.200 0.005 2 1365 139 139 MET HB3 H 2.200 0.005 2 1366 139 139 MET HG2 H 2.703 0.005 2 1367 139 139 MET HG3 H 2.703 0.005 2 1368 139 139 MET HE H 2.002 0.005 1 1369 139 139 MET C C 177.617 0.500 1 1370 139 139 MET CA C 57.655 0.100 1 1371 139 139 MET CB C 31.394 0.100 1 1372 139 139 MET CE C 16.991 0.100 1 1373 139 139 MET N N 120.384 0.200 1 1374 140 140 HIS H H 8.773 0.005 1 1375 140 140 HIS HA H 3.950 0.005 1 1376 140 140 HIS HB2 H 3.421 0.005 2 1377 140 140 HIS HB3 H 3.144 0.005 2 1378 140 140 HIS HD1 H 7.051 0.005 1 1379 140 140 HIS HD2 H 7.051 0.005 1 1380 140 140 HIS HE1 H 7.916 0.005 1 1381 140 140 HIS HE2 H 7.916 0.005 1 1382 140 140 HIS C C 177.209 0.500 1 1383 140 140 HIS CA C 59.235 0.100 1 1384 140 140 HIS CB C 31.322 0.100 1 1385 140 140 HIS N N 119.598 0.200 1 1386 141 141 GLY H H 7.596 0.005 1 1387 141 141 GLY HA2 H 3.645 0.005 1 1388 141 141 GLY HA3 H 3.779 0.005 1 1389 141 141 GLY C C 175.841 0.500 1 1390 141 141 GLY CA C 47.205 0.100 1 1391 141 141 GLY N N 104.701 0.200 1 1392 142 142 LEU H H 7.447 0.005 1 1393 142 142 LEU HA H 4.059 0.005 1 1394 142 142 LEU HB2 H 1.485 0.005 2 1395 142 142 LEU HB3 H 1.485 0.005 2 1396 142 142 LEU HG H 1.110 0.005 1 1397 142 142 LEU HD1 H 0.801 0.005 1 1398 142 142 LEU HD2 H 0.801 0.005 1 1399 142 142 LEU C C 179.783 0.500 1 1400 142 142 LEU CA C 57.684 0.100 1 1401 142 142 LEU CB C 41.541 0.100 1 1402 142 142 LEU CG C 26.170 0.100 1 1403 142 142 LEU CD2 C 23.170 0.100 2 1404 142 142 LEU N N 120.880 0.200 1 1405 143 143 ILE H H 7.906 0.005 1 1406 143 143 ILE HA H 3.597 0.005 1 1407 143 143 ILE HB H 1.856 0.005 1 1408 143 143 ILE HG12 H 1.163 0.005 2 1409 143 143 ILE HG13 H 1.832 0.005 2 1410 143 143 ILE HG2 H 0.471 0.005 1 1411 143 143 ILE HD1 H 0.518 0.005 1 1412 143 143 ILE C C 178.099 0.500 1 1413 143 143 ILE CA C 63.135 0.100 1 1414 143 143 ILE CB C 37.053 0.100 1 1415 143 143 ILE CG1 C 28.241 0.100 1 1416 143 143 ILE CG2 C 18.543 0.100 1 1417 143 143 ILE CD1 C 13.005 0.100 1 1418 143 143 ILE N N 118.464 0.200 1 1419 144 144 TYR H H 8.423 0.005 1 1420 144 144 TYR HA H 4.107 0.005 1 1421 144 144 TYR HB2 H 3.017 0.005 2 1422 144 144 TYR HB3 H 2.983 0.005 2 1423 144 144 TYR HD1 H 7.030 0.005 3 1424 144 144 TYR HD2 H 7.030 0.005 3 1425 144 144 TYR HE1 H 6.723 0.005 3 1426 144 144 TYR HE2 H 6.723 0.005 3 1427 144 144 TYR C C 176.451 0.500 1 1428 144 144 TYR CA C 61.049 0.100 1 1429 144 144 TYR CB C 38.554 0.100 1 1430 144 144 TYR CE1 C 118.576 0.100 3 1431 144 144 TYR CE2 C 118.576 0.100 3 1432 144 144 TYR N N 119.037 0.200 1 1433 145 145 ASN H H 7.235 0.005 1 1434 145 145 ASN HA H 4.701 0.005 1 1435 145 145 ASN HB2 H 2.782 0.005 2 1436 145 145 ASN HB3 H 2.782 0.005 2 1437 145 145 ASN HD21 H 7.586 0.005 1 1438 145 145 ASN HD22 H 6.835 0.005 1 1439 145 145 ASN C C 175.307 0.500 1 1440 145 145 ASN CA C 53.154 0.100 1 1441 145 145 ASN CB C 39.832 0.100 1 1442 145 145 ASN N N 112.863 0.200 1 1443 145 145 ASN ND2 N 113.692 0.200 1 1444 146 146 LEU H H 7.646 0.005 1 1445 146 146 LEU HA H 4.592 0.005 1 1446 146 146 LEU HB2 H 1.606 0.005 2 1447 146 146 LEU HB3 H 1.606 0.005 2 1448 146 146 LEU HD1 H 0.995 0.005 1 1449 146 146 LEU HD2 H 0.995 0.005 1 1450 146 146 LEU C C 174.939 0.500 1 1451 146 146 LEU CA C 54.213 0.100 1 1452 146 146 LEU CB C 42.863 0.100 1 1453 146 146 LEU CG C 26.394 0.100 1 1454 146 146 LEU CD2 C 24.471 0.100 2 1455 146 146 LEU N N 122.929 0.200 1 1456 147 147 PRO HA H 4.119 0.005 1 1457 147 147 PRO HB2 H 2.402 0.005 2 1458 147 147 PRO HB3 H 2.402 0.005 2 1459 147 147 PRO HG2 H 2.097 0.005 2 1460 147 147 PRO HG3 H 2.097 0.005 2 1461 147 147 PRO HD2 H 3.594 0.005 2 1462 147 147 PRO HD3 H 3.594 0.005 2 1463 147 147 PRO C C 176.382 0.500 1 1464 147 147 PRO CA C 62.303 0.100 1 1465 147 147 PRO CB C 31.958 0.100 1 1466 148 148 ASP H H 8.398 0.005 1 1467 148 148 ASP HA H 4.392 0.005 1 1468 148 148 ASP HB2 H 2.925 0.005 2 1469 148 148 ASP HB3 H 2.757 0.005 2 1470 148 148 ASP C C 177.123 0.500 1 1471 148 148 ASP CA C 58.920 0.100 1 1472 148 148 ASP CB C 41.338 0.100 1 1473 148 148 ASP N N 119.630 0.200 1 1474 149 149 ALA H H 9.065 0.005 1 1475 149 149 ALA HA H 4.314 0.005 1 1476 149 149 ALA HB H 1.432 0.005 1 1477 149 149 ALA C C 179.388 0.500 1 1478 149 149 ALA CA C 56.084 0.100 1 1479 149 149 ALA CB C 18.177 0.100 1 1480 149 149 ALA N N 119.516 0.200 1 1481 150 150 GLN H H 8.300 0.005 1 1482 150 150 GLN HA H 3.887 0.005 1 1483 150 150 GLN HB2 H 2.087 0.005 2 1484 150 150 GLN HB3 H 2.087 0.005 2 1485 150 150 GLN HG2 H 2.257 0.005 2 1486 150 150 GLN HG3 H 2.386 0.005 2 1487 150 150 GLN HE21 H 6.667 0.005 2 1488 150 150 GLN HE22 H 6.732 0.005 2 1489 150 150 GLN C C 176.819 0.500 1 1490 150 150 GLN CA C 62.045 0.100 1 1491 150 150 GLN CB C 27.692 0.100 1 1492 150 150 GLN CG C 32.243 0.100 1 1493 150 150 GLN N N 118.522 0.200 1 1494 150 150 GLN NE2 N 110.278 0.200 1 1495 151 151 TYR H H 8.701 0.005 1 1496 151 151 TYR HA H 3.798 0.005 1 1497 151 151 TYR HB2 H 2.654 0.005 2 1498 151 151 TYR HB3 H 2.807 0.005 2 1499 151 151 TYR HD1 H 5.904 0.005 3 1500 151 151 TYR HD2 H 5.904 0.005 3 1501 151 151 TYR HE1 H 5.767 0.005 3 1502 151 151 TYR HE2 H 5.767 0.005 3 1503 151 151 TYR C C 176.799 0.500 1 1504 151 151 TYR CA C 63.231 0.100 1 1505 151 151 TYR CB C 39.007 0.100 1 1506 151 151 TYR CD1 C 133.270 0.100 3 1507 151 151 TYR CD2 C 133.270 0.100 3 1508 151 151 TYR CE1 C 118.761 0.100 3 1509 151 151 TYR CE2 C 118.761 0.100 3 1510 151 151 TYR N N 118.777 0.200 1 1511 152 152 TRP H H 8.588 0.005 1 1512 152 152 TRP HA H 4.320 0.005 1 1513 152 152 TRP HB2 H 3.285 0.005 2 1514 152 152 TRP HB3 H 3.285 0.005 2 1515 152 152 TRP HE1 H 9.989 0.005 1 1516 152 152 TRP C C 180.335 0.500 1 1517 152 152 TRP CA C 60.533 0.100 1 1518 152 152 TRP CB C 29.307 0.100 1 1519 152 152 TRP N N 117.322 0.200 1 1520 152 152 TRP NE1 N 124.405 0.200 1 1521 153 153 THR H H 8.093 0.005 1 1522 153 153 THR HA H 4.097 0.005 1 1523 153 153 THR HB H 4.318 0.005 1 1524 153 153 THR HG2 H 1.464 0.005 1 1525 153 153 THR C C 175.337 0.500 1 1526 153 153 THR CA C 68.752 0.100 1 1527 153 153 THR CB C 67.775 0.100 1 1528 153 153 THR CG2 C 22.607 0.100 1 1529 153 153 THR N N 118.559 0.200 1 1530 154 154 LEU H H 8.583 0.005 1 1531 154 154 LEU HA H 4.317 0.005 1 1532 154 154 LEU HB2 H 1.827 0.005 2 1533 154 154 LEU HB3 H 1.827 0.005 2 1534 154 154 LEU HG H 1.586 0.005 1 1535 154 154 LEU HD1 H 0.874 0.005 1 1536 154 154 LEU HD2 H 0.874 0.005 1 1537 154 154 LEU C C 178.553 0.500 1 1538 154 154 LEU CA C 59.860 0.100 1 1539 154 154 LEU CB C 41.834 0.100 1 1540 154 154 LEU CG C 26.512 0.100 1 1541 154 154 LEU CD2 C 23.809 0.100 2 1542 154 154 LEU N N 122.446 0.200 1 1543 155 155 ARG H H 8.333 0.005 1 1544 155 155 ARG HG2 H 1.752 0.005 2 1545 155 155 ARG HG3 H 1.752 0.005 2 1546 155 155 ARG HD2 H 3.224 0.005 2 1547 155 155 ARG HD3 H 3.224 0.005 2 1548 155 155 ARG C C 178.093 0.500 1 1549 155 155 ARG CA C 59.101 0.100 1 1550 155 155 ARG CB C 28.610 0.100 1 1551 155 155 ARG CG C 26.527 0.100 1 1552 155 155 ARG CD C 42.092 0.100 1 1553 155 155 ARG N N 119.045 0.200 1 1554 156 156 ALA H H 8.079 0.005 1 1555 156 156 ALA HA H 4.088 0.005 1 1556 156 156 ALA HB H 1.390 0.005 1 1557 156 156 ALA C C 180.867 0.500 1 1558 156 156 ALA CA C 55.345 0.100 1 1559 156 156 ALA CB C 18.719 0.100 1 1560 156 156 ALA N N 120.199 0.200 1 1561 157 157 LEU H H 8.439 0.005 1 1562 157 157 LEU HA H 4.178 0.005 1 1563 157 157 LEU HB2 H 1.619 0.005 2 1564 157 157 LEU HB3 H 1.619 0.005 2 1565 157 157 LEU HG H 1.847 0.005 1 1566 157 157 LEU HD1 H 0.945 0.005 1 1567 157 157 LEU HD2 H 0.945 0.005 1 1568 157 157 LEU C C 179.761 0.500 1 1569 157 157 LEU CA C 58.189 0.100 1 1570 157 157 LEU CB C 43.007 0.100 1 1571 157 157 LEU CG C 26.630 0.100 1 1572 157 157 LEU CD2 C 24.883 0.100 2 1573 157 157 LEU N N 116.244 0.200 1 1574 158 158 VAL H H 8.486 0.005 1 1575 158 158 VAL HA H 4.312 0.005 1 1576 158 158 VAL HB H 1.937 0.005 1 1577 158 158 VAL HG1 H 0.966 0.005 1 1578 158 158 VAL HG2 H 0.922 0.005 1 1579 158 158 VAL C C 177.624 0.500 1 1580 158 158 VAL CA C 64.772 0.100 1 1581 158 158 VAL CB C 27.348 0.100 1 1582 158 158 VAL CG1 C 18.123 0.100 2 1583 158 158 VAL CG2 C 18.141 0.100 2 1584 158 158 VAL N N 119.027 0.200 1 1585 159 159 PHE H H 8.441 0.005 1 1586 159 159 PHE HA H 3.322 0.005 1 1587 159 159 PHE HB2 H 1.935 0.005 2 1588 159 159 PHE HB3 H 1.935 0.005 2 1589 159 159 PHE HD1 H 6.959 0.005 3 1590 159 159 PHE HD2 H 6.959 0.005 3 1591 159 159 PHE HE1 H 6.597 0.005 3 1592 159 159 PHE HE2 H 6.597 0.005 3 1593 159 159 PHE C C 176.568 0.500 1 1594 159 159 PHE CA C 66.144 0.100 1 1595 159 159 PHE CB C 38.705 0.100 1 1596 159 159 PHE CD1 C 132.492 0.100 3 1597 159 159 PHE CD2 C 132.492 0.100 3 1598 159 159 PHE CE1 C 130.701 0.100 3 1599 159 159 PHE CE2 C 130.701 0.100 3 1600 159 159 PHE N N 122.259 0.200 1 1601 160 160 HIS HB2 H 2.997 0.005 2 1602 160 160 HIS HB3 H 2.997 0.005 2 1603 162 162 LYS HA H 3.961 0.005 1 1604 162 162 LYS HB2 H 2.034 0.005 2 1605 162 162 LYS HB3 H 2.034 0.005 2 1606 162 162 LYS HD2 H 1.655 0.005 2 1607 162 162 LYS HD3 H 1.655 0.005 2 1608 162 162 LYS HE2 H 3.164 0.005 2 1609 162 162 LYS HE3 H 3.164 0.005 2 1610 162 162 LYS C C 180.146 0.500 1 1611 162 162 LYS CA C 59.579 0.100 1 1612 162 162 LYS CB C 30.901 0.100 1 1613 162 162 LYS CD C 27.237 0.100 1 1614 162 162 LYS CE C 43.497 0.100 1 1615 163 163 ARG H H 7.595 0.005 1 1616 163 163 ARG HA H 4.259 0.005 1 1617 163 163 ARG HB2 H 1.871 0.005 2 1618 163 163 ARG HB3 H 1.871 0.005 2 1619 163 163 ARG HG2 H 1.690 0.005 2 1620 163 163 ARG HG3 H 1.690 0.005 2 1621 163 163 ARG C C 178.770 0.500 1 1622 163 163 ARG CA C 60.931 0.100 1 1623 163 163 ARG CB C 30.582 0.100 1 1624 163 163 ARG CG C 27.345 0.100 1 1625 163 163 ARG CD C 43.570 0.100 1 1626 163 163 ARG N N 122.957 0.200 1 1627 164 164 VAL H H 7.899 0.005 1 1628 164 164 VAL HA H 3.371 0.005 1 1629 164 164 VAL HB H 2.432 0.005 1 1630 164 164 VAL HG1 H 0.951 0.005 1 1631 164 164 VAL HG2 H 0.676 0.005 1 1632 164 164 VAL C C 180.286 0.500 1 1633 164 164 VAL CA C 67.595 0.100 1 1634 164 164 VAL CB C 31.011 0.100 1 1635 164 164 VAL N N 120.018 0.200 1 1636 165 165 LEU H H 8.254 0.005 1 1637 165 165 LEU HA H 3.989 0.005 1 1638 165 165 LEU HB2 H 1.733 0.005 2 1639 165 165 LEU HB3 H 1.733 0.005 2 1640 165 165 LEU HG H 1.673 0.005 1 1641 165 165 LEU HD1 H 0.933 0.005 1 1642 165 165 LEU HD2 H 0.933 0.005 1 1643 165 165 LEU C C 180.133 0.500 1 1644 165 165 LEU CA C 57.753 0.100 1 1645 165 165 LEU CB C 41.894 0.100 1 1646 165 165 LEU CG C 27.463 0.100 1 1647 165 165 LEU CD2 C 24.026 0.100 2 1648 165 165 LEU N N 120.462 0.200 1 1649 166 166 ALA H H 7.922 0.005 1 1650 166 166 ALA HA H 4.341 0.005 1 1651 166 166 ALA HB H 1.662 0.005 1 1652 166 166 ALA C C 179.142 0.500 1 1653 166 166 ALA CA C 54.283 0.100 1 1654 166 166 ALA CB C 17.882 0.100 1 1655 166 166 ALA N N 122.244 0.200 1 1656 167 167 HIS H H 7.895 0.005 1 1657 167 167 HIS HA H 4.024 0.005 1 1658 167 167 HIS HB2 H 2.915 0.005 2 1659 167 167 HIS HB3 H 3.360 0.005 2 1660 167 167 HIS HD1 H 6.777 0.005 1 1661 167 167 HIS HD2 H 6.777 0.005 1 1662 167 167 HIS HE1 H 7.892 0.005 1 1663 167 167 HIS HE2 H 7.892 0.005 1 1664 167 167 HIS C C 174.895 0.500 1 1665 167 167 HIS CA C 55.581 0.100 1 1666 167 167 HIS CB C 28.977 0.100 1 1667 167 167 HIS N N 117.374 0.200 1 1668 168 168 GLU H H 7.687 0.005 1 1669 168 168 GLU HA H 4.604 0.005 1 1670 168 168 GLU HB2 H 1.985 0.005 2 1671 168 168 GLU HB3 H 2.121 0.005 2 1672 168 168 GLU HG2 H 2.501 0.005 2 1673 168 168 GLU HG3 H 2.501 0.005 2 1674 168 168 GLU C C 178.111 0.500 1 1675 168 168 GLU CA C 59.326 0.100 1 1676 168 168 GLU CB C 29.334 0.100 1 1677 168 168 GLU CG C 35.455 0.100 1 1678 168 168 GLU N N 125.068 0.200 1 1679 169 169 ALA H H 8.805 0.005 1 1680 169 169 ALA HA H 4.046 0.005 1 1681 169 169 ALA HB H 1.396 0.005 1 1682 169 169 ALA C C 178.776 0.500 1 1683 169 169 ALA CA C 55.407 0.100 1 1684 169 169 ALA CB C 17.976 0.100 1 1685 169 169 ALA N N 121.321 0.200 1 1686 170 170 GLN H H 7.705 0.005 1 1687 170 170 GLN HA H 4.567 0.005 1 1688 170 170 GLN HB2 H 2.331 0.005 2 1689 170 170 GLN HB3 H 2.331 0.005 2 1690 170 170 GLN HG2 H 2.506 0.005 2 1691 170 170 GLN HG3 H 2.506 0.005 2 1692 170 170 GLN HE21 H 6.726 0.005 1 1693 170 170 GLN HE22 H 7.521 0.005 1 1694 170 170 GLN C C 176.797 0.500 1 1695 170 170 GLN CA C 58.211 0.100 1 1696 170 170 GLN CB C 31.374 0.100 1 1697 170 170 GLN CG C 32.543 0.100 1 1698 170 170 GLN N N 112.014 0.200 1 1699 170 170 GLN NE2 N 112.306 0.200 1 1700 171 171 ASN H H 8.448 0.005 1 1701 171 171 ASN HA H 4.385 0.005 1 1702 171 171 ASN HB2 H 3.117 0.005 2 1703 171 171 ASN HB3 H 2.730 0.005 2 1704 171 171 ASN HD21 H 7.608 0.005 1 1705 171 171 ASN HD22 H 8.558 0.005 1 1706 171 171 ASN C C 176.950 0.500 1 1707 171 171 ASN CA C 54.335 0.100 1 1708 171 171 ASN CB C 38.630 0.100 1 1709 171 171 ASN N N 114.628 0.200 1 1710 171 171 ASN ND2 N 115.250 0.200 1 1711 172 172 ARG H H 8.746 0.005 1 1712 172 172 ARG HA H 4.055 0.005 1 1713 172 172 ARG HB2 H 2.143 0.005 2 1714 172 172 ARG HB3 H 2.138 0.005 2 1715 172 172 ARG HG2 H 1.633 0.005 2 1716 172 172 ARG HG3 H 1.633 0.005 2 1717 172 172 ARG HD2 H 3.194 0.005 2 1718 172 172 ARG HD3 H 3.194 0.005 2 1719 172 172 ARG C C 176.171 0.500 1 1720 172 172 ARG CA C 56.816 0.100 1 1721 172 172 ARG CB C 26.755 0.100 1 1722 172 172 ARG CG C 27.095 0.100 1 1723 172 172 ARG CD C 42.837 0.100 1 1724 172 172 ARG N N 114.015 0.200 1 1725 173 173 MET H H 9.368 0.005 1 1726 173 173 MET HA H 4.046 0.005 1 1727 173 173 MET HB2 H 2.133 0.005 2 1728 173 173 MET HB3 H 2.133 0.005 2 1729 173 173 MET HG2 H 2.482 0.005 2 1730 173 173 MET HG3 H 2.482 0.005 2 1731 173 173 MET C C 172.412 0.500 1 1732 173 173 MET CA C 53.422 0.100 1 1733 173 173 MET CB C 29.304 0.100 1 1734 173 173 MET N N 122.228 0.200 1 1735 174 174 ASN H H 6.687 0.005 1 1736 174 174 ASN HA H 4.800 0.005 1 1737 174 174 ASN HB2 H 2.942 0.005 2 1738 174 174 ASN HB3 H 3.213 0.005 2 1739 174 174 ASN HD21 H 6.704 0.005 1 1740 174 174 ASN HD22 H 7.739 0.005 1 1741 174 174 ASN C C 174.914 0.500 1 1742 174 174 ASN CA C 50.782 0.100 1 1743 174 174 ASN CB C 39.894 0.100 1 1744 174 174 ASN N N 114.499 0.200 1 1745 174 174 ASN ND2 N 112.699 0.200 1 1746 175 175 LEU H H 8.483 0.005 1 1747 175 175 LEU HA H 4.329 0.005 1 1748 175 175 LEU HB2 H 1.656 0.005 2 1749 175 175 LEU HB3 H 1.656 0.005 2 1750 175 175 LEU HD1 H 0.895 0.005 1 1751 175 175 LEU HD2 H 0.895 0.005 1 1752 175 175 LEU C C 176.823 0.500 1 1753 175 175 LEU CA C 59.965 0.100 1 1754 175 175 LEU CB C 41.961 0.100 1 1755 175 175 LEU CD2 C 23.759 0.100 2 1756 175 175 LEU N N 119.943 0.200 1 1757 176 176 ARG HA H 2.019 0.005 1 1758 176 176 ARG HD2 H 1.966 0.005 2 1759 176 176 ARG HD3 H 1.966 0.005 2 1760 176 176 ARG C C 176.340 0.500 1 1761 176 176 ARG CA C 58.899 0.100 1 1762 176 176 ARG CB C 30.207 0.100 1 1763 176 176 ARG CG C 25.685 0.100 1 1764 176 176 ARG CD C 43.236 0.100 1 1765 177 177 ALA H H 7.264 0.005 1 1766 177 177 ALA HA H 4.016 0.005 1 1767 177 177 ALA HB H 1.476 0.005 1 1768 177 177 ALA C C 181.082 0.500 1 1769 177 177 ALA CA C 54.761 0.100 1 1770 177 177 ALA CB C 17.688 0.100 1 1771 177 177 ALA N N 118.275 0.200 1 1772 178 178 LEU H H 7.830 0.005 1 1773 178 178 LEU HA H 3.899 0.005 1 1774 178 178 LEU HB2 H 1.550 0.005 2 1775 178 178 LEU HB3 H 1.550 0.005 2 1776 178 178 LEU HG H 1.681 0.005 1 1777 178 178 LEU HD1 H 0.926 0.005 1 1778 178 178 LEU HD2 H 0.973 0.005 1 1779 178 178 LEU C C 178.078 0.500 1 1780 178 178 LEU CA C 57.931 0.100 1 1781 178 178 LEU CB C 41.892 0.100 1 1782 178 178 LEU CG C 26.981 0.100 1 1783 178 178 LEU CD1 C 23.949 0.100 2 1784 178 178 LEU N N 117.960 0.200 1 1785 179 179 CYS H H 9.009 0.005 1 1786 179 179 CYS HA H 3.095 0.005 1 1787 179 179 CYS HB2 H 1.658 0.005 2 1788 179 179 CYS HB3 H 1.658 0.005 2 1789 179 179 CYS C C 177.775 0.500 1 1790 179 179 CYS CA C 67.491 0.100 1 1791 179 179 CYS CB C 30.794 0.100 1 1792 179 179 CYS N N 118.834 0.200 1 1793 180 180 ILE H H 8.270 0.005 1 1794 180 180 ILE HA H 4.257 0.005 1 1795 180 180 ILE HB H 1.859 0.005 1 1796 180 180 ILE HG12 H 1.415 0.005 2 1797 180 180 ILE HG13 H 1.415 0.005 2 1798 180 180 ILE HG2 H 0.947 0.005 1 1799 180 180 ILE HD1 H 0.665 0.005 1 1800 180 180 ILE C C 172.944 0.500 1 1801 180 180 ILE CA C 60.826 0.100 1 1802 180 180 ILE CB C 36.471 0.100 1 1803 180 180 ILE CG1 C 27.240 0.100 1 1804 180 180 ILE CG2 C 17.658 0.100 1 1805 180 180 ILE N N 117.833 0.200 1 1806 181 181 ILE H H 7.190 0.005 1 1807 181 181 ILE HA H 3.779 0.005 1 1808 181 181 ILE HB H 1.802 0.005 1 1809 181 181 ILE HG12 H 1.455 0.005 2 1810 181 181 ILE HG13 H 1.265 0.005 2 1811 181 181 ILE HG2 H 1.010 0.005 1 1812 181 181 ILE HD1 H 0.892 0.005 1 1813 181 181 ILE C C 178.244 0.500 1 1814 181 181 ILE CA C 62.909 0.100 1 1815 181 181 ILE CB C 38.850 0.100 1 1816 181 181 ILE CG1 C 27.232 0.100 1 1817 181 181 ILE CG2 C 17.290 0.100 1 1818 181 181 ILE CD1 C 13.455 0.100 1 1819 181 181 ILE N N 116.180 0.200 1 1820 182 182 TRP H H 8.595 0.005 1 1821 182 182 TRP HA H 4.263 0.005 1 1822 182 182 TRP HB2 H 3.095 0.005 2 1823 182 182 TRP HB3 H 3.036 0.005 2 1824 182 182 TRP HD1 H 7.159 0.005 1 1825 182 182 TRP HE1 H 10.332 0.005 1 1826 182 182 TRP HE3 H 7.394 0.005 1 1827 182 182 TRP HZ2 H 6.775 0.005 4 1828 182 182 TRP HZ3 H 6.775 0.005 4 1829 182 182 TRP HH2 H 7.016 0.005 1 1830 182 182 TRP C C 178.499 0.500 1 1831 182 182 TRP CA C 60.238 0.100 1 1832 182 182 TRP CB C 30.363 0.100 1 1833 182 182 TRP CD1 C 130.575 0.100 1 1834 182 182 TRP CD2 C 130.575 0.100 1 1835 182 182 TRP CE2 C 120.092 0.100 1 1836 182 182 TRP CE3 C 120.092 0.100 1 1837 182 182 TRP CZ2 C 122.676 0.100 1 1838 182 182 TRP CZ3 C 122.676 0.100 1 1839 182 182 TRP N N 116.467 0.200 1 1840 182 182 TRP NE1 N 128.630 0.200 1 1841 183 183 GLY H H 8.938 0.005 1 1842 183 183 GLY HA2 H 3.505 0.005 1 1843 183 183 GLY HA3 H 3.888 0.005 1 1844 183 183 GLY C C 173.072 0.500 1 1845 183 183 GLY CA C 50.198 0.100 1 1846 183 183 GLY N N 111.500 0.200 1 1847 184 184 PRO HA H 4.381 0.005 1 1848 184 184 PRO HG2 H 2.033 0.005 2 1849 184 184 PRO HG3 H 2.033 0.005 2 1850 184 184 PRO C C 175.833 0.500 1 1851 184 184 PRO CA C 64.138 0.100 1 1852 184 184 PRO CB C 31.359 0.100 1 1853 184 184 PRO CG C 27.252 0.100 1 1854 184 184 PRO CD C 51.242 0.100 1 1855 185 185 THR H H 7.258 0.005 1 1856 185 185 THR HA H 4.373 0.005 1 1857 185 185 THR HB H 4.246 0.005 1 1858 185 185 THR HG2 H 1.300 0.005 1 1859 185 185 THR C C 174.629 0.500 1 1860 185 185 THR CA C 64.117 0.100 1 1861 185 185 THR CB C 69.841 0.100 1 1862 185 185 THR CG2 C 23.745 0.100 1 1863 185 185 THR N N 110.928 0.200 1 1864 186 186 ILE H H 7.778 0.005 1 1865 186 186 ILE HA H 3.837 0.005 1 1866 186 186 ILE HB H 1.887 0.005 1 1867 186 186 ILE HG12 H 1.457 0.005 2 1868 186 186 ILE HG13 H 1.256 0.005 2 1869 186 186 ILE HG2 H 0.895 0.005 1 1870 186 186 ILE HD1 H 0.768 0.005 1 1871 186 186 ILE C C 173.023 0.500 1 1872 186 186 ILE CA C 60.880 0.005 1 1873 186 186 ILE CB C 39.494 0.005 1 1874 186 186 ILE CG1 C 26.954 0.005 1 1875 186 186 ILE CG2 C 17.422 0.005 1 1876 186 186 ILE CD1 C 12.844 0.005 1 1877 186 186 ILE N N 119.056 0.200 1 1878 187 187 ALA H H 8.300 0.005 1 1879 187 187 ALA HA H 4.943 0.005 1 1880 187 187 ALA HB H 1.419 0.005 1 1881 187 187 ALA C C 175.042 0.500 1 1882 187 187 ALA CA C 48.918 0.100 1 1883 187 187 ALA CB C 18.934 0.100 1 1884 187 187 ALA N N 120.130 0.200 1 1885 188 188 PRO HA H 5.004 0.005 1 1886 188 188 PRO HB2 H 2.094 0.005 2 1887 188 188 PRO HB3 H 2.483 0.005 2 1888 188 188 PRO HG2 H 1.943 0.005 2 1889 188 188 PRO HG3 H 1.878 0.005 2 1890 188 188 PRO HD2 H 3.554 0.005 2 1891 188 188 PRO HD3 H 3.554 0.005 2 1892 188 188 PRO C C 173.970 0.500 1 1893 188 188 PRO CA C 62.066 0.100 1 1894 188 188 PRO CB C 32.981 0.100 1 1895 188 188 PRO CG C 24.887 0.100 1 1896 188 188 PRO CD C 50.444 0.100 1 1897 189 189 ALA H H 7.916 0.005 1 1898 189 189 ALA HA H 4.052 0.005 1 1899 189 189 ALA HB H 1.281 0.005 1 1900 189 189 ALA C C 177.323 0.500 1 1901 189 189 ALA CA C 51.325 0.100 1 1902 189 189 ALA CB C 19.671 0.100 1 1903 189 189 ALA N N 117.217 0.200 1 1904 190 190 ASN H H 8.480 0.005 1 1905 190 190 ASN HA H 4.062 0.005 1 1906 190 190 ASN HB2 H 3.043 0.005 2 1907 190 190 ASN HB3 H 3.043 0.005 2 1908 190 190 ASN HD21 H 7.826 0.005 1 1909 190 190 ASN HD22 H 6.846 0.005 1 1910 190 190 ASN C C 177.334 0.500 1 1911 190 190 ASN CA C 51.013 0.100 1 1912 190 190 ASN CB C 38.454 0.100 1 1913 190 190 ASN N N 120.697 0.200 1 1914 190 190 ASN ND2 N 113.723 0.200 1 1915 191 191 PRO HA H 4.166 0.005 1 1916 191 191 PRO HB2 H 2.294 0.005 2 1917 191 191 PRO HB3 H 2.294 0.005 2 1918 191 191 PRO HG2 H 1.842 0.005 2 1919 191 191 PRO HG3 H 1.842 0.005 2 1920 191 191 PRO HD2 H 3.370 0.005 2 1921 191 191 PRO HD3 H 3.567 0.005 2 1922 191 191 PRO C C 176.960 0.500 1 1923 191 191 PRO CA C 64.076 0.100 1 1924 191 191 PRO CB C 31.912 0.100 1 1925 191 191 PRO CG C 27.227 0.100 1 1926 191 191 PRO CD C 50.474 0.100 1 1927 192 192 ASP H H 7.861 0.005 1 1928 192 192 ASP HA H 4.597 0.005 1 1929 192 192 ASP HB2 H 2.482 0.005 2 1930 192 192 ASP HB3 H 2.707 0.005 2 1931 192 192 ASP C C 176.281 0.500 1 1932 192 192 ASP CA C 54.520 0.100 1 1933 192 192 ASP CB C 42.204 0.100 1 1934 192 192 ASP N N 115.319 0.200 1 1935 193 193 ASP H H 6.870 0.005 1 1936 193 193 ASP HA H 4.476 0.005 1 1937 193 193 ASP HB2 H 2.671 0.005 2 1938 193 193 ASP HB3 H 2.547 0.005 2 1939 193 193 ASP C C 175.294 0.500 1 1940 193 193 ASP CA C 54.328 0.100 1 1941 193 193 ASP CB C 40.898 0.100 1 1942 193 193 ASP N N 116.798 0.200 1 1943 194 194 ALA H H 8.796 0.005 1 1944 194 194 ALA HA H 4.103 0.005 1 1945 194 194 ALA HB H 1.382 0.005 1 1946 194 194 ALA C C 178.100 0.500 1 1947 194 194 ALA CA C 54.461 0.100 1 1948 194 194 ALA CB C 18.624 0.100 1 1949 194 194 ALA N N 128.954 0.200 1 1950 195 195 ASN H H 8.170 0.005 1 1951 195 195 ASN HA H 4.718 0.005 1 1952 195 195 ASN HD21 H 7.346 0.005 1 1953 195 195 ASN HD22 H 6.766 0.005 1 1954 195 195 ASN C C 175.402 0.500 1 1955 195 195 ASN CA C 53.362 0.100 1 1956 195 195 ASN CB C 39.085 0.100 1 1957 195 195 ASN N N 113.375 0.200 1 1958 195 195 ASN ND2 N 111.066 0.200 1 1959 196 196 ASP H H 7.350 0.005 1 1960 196 196 ASP HA H 4.784 0.005 1 1961 196 196 ASP HB2 H 2.988 0.005 2 1962 196 196 ASP HB3 H 2.718 0.005 2 1963 196 196 ASP C C 177.067 0.500 1 1964 196 196 ASP CA C 53.473 0.100 1 1965 196 196 ASP CB C 40.901 0.100 1 1966 196 196 ASP N N 119.546 0.200 1 1967 197 197 VAL H H 8.159 0.005 1 1968 197 197 VAL HA H 4.508 0.005 1 1969 197 197 VAL HB H 2.245 0.005 1 1970 197 197 VAL HG1 H 1.110 0.005 1 1971 197 197 VAL HG2 H 1.089 0.005 1 1972 197 197 VAL C C 177.381 0.500 1 1973 197 197 VAL CA C 63.428 0.100 1 1974 197 197 VAL CB C 32.319 0.100 1 1975 197 197 VAL N N 126.027 0.200 1 1976 198 198 ASN H H 8.334 0.005 1 1977 198 198 ASN HA H 4.550 0.005 1 1978 198 198 ASN HB2 H 2.806 0.005 2 1979 198 198 ASN HB3 H 2.806 0.005 2 1980 198 198 ASN HD21 H 7.745 0.005 1 1981 198 198 ASN HD22 H 6.875 0.005 1 1982 198 198 ASN C C 176.600 0.500 1 1983 198 198 ASN CA C 56.808 0.100 1 1984 198 198 ASN CB C 38.448 0.100 1 1985 198 198 ASN N N 120.022 0.200 1 1986 198 198 ASN ND2 N 114.078 0.200 1 1987 199 199 PHE H H 7.637 0.005 1 1988 199 199 PHE HA H 4.056 0.005 1 1989 199 199 PHE HB2 H 3.435 0.005 2 1990 199 199 PHE HB3 H 3.107 0.005 2 1991 199 199 PHE HD1 H 7.270 0.005 3 1992 199 199 PHE HD2 H 7.270 0.005 3 1993 199 199 PHE HE1 H 7.058 0.005 3 1994 199 199 PHE HE2 H 7.058 0.005 3 1995 199 199 PHE C C 175.823 0.500 1 1996 199 199 PHE CA C 61.421 0.100 1 1997 199 199 PHE CB C 41.066 0.100 1 1998 199 199 PHE CD1 C 131.688 0.100 3 1999 199 199 PHE CD2 C 131.688 0.100 3 2000 199 199 PHE CE1 C 131.387 0.100 3 2001 199 199 PHE CE2 C 131.387 0.100 3 2002 199 199 PHE N N 121.256 0.200 1 2003 200 200 GLN H H 7.488 0.005 1 2004 200 200 GLN HA H 4.059 0.005 1 2005 200 200 GLN HB2 H 2.149 0.005 2 2006 200 200 GLN HB3 H 2.149 0.005 2 2007 200 200 GLN HG2 H 2.376 0.005 2 2008 200 200 GLN HG3 H 2.376 0.005 2 2009 200 200 GLN HE21 H 7.458 0.005 1 2010 200 200 GLN HE22 H 6.771 0.005 1 2011 200 200 GLN C C 177.982 0.500 1 2012 200 200 GLN CA C 58.884 0.100 1 2013 200 200 GLN CB C 29.638 0.100 1 2014 200 200 GLN CG C 33.843 0.100 1 2015 200 200 GLN N N 115.680 0.200 1 2016 200 200 GLN NE2 N 113.082 0.200 1 2017 201 201 ILE H H 7.759 0.005 1 2018 201 201 ILE HA H 3.442 0.005 1 2019 201 201 ILE HB H 1.929 0.005 1 2020 201 201 ILE HG12 H 1.661 0.005 2 2021 201 201 ILE HG13 H 1.661 0.005 2 2022 201 201 ILE HG2 H 0.811 0.005 1 2023 201 201 ILE HD1 H 0.806 0.005 1 2024 201 201 ILE C C 177.879 0.500 1 2025 201 201 ILE CA C 66.070 0.100 1 2026 201 201 ILE CB C 38.675 0.100 1 2027 201 201 ILE CG1 C 28.658 0.100 1 2028 201 201 ILE CG2 C 17.123 0.100 1 2029 201 201 ILE CD1 C 14.436 0.100 1 2030 201 201 ILE N N 119.035 0.200 1 2031 202 202 MET H H 8.500 0.005 1 2032 202 202 MET HA H 4.512 0.005 1 2033 202 202 MET HB2 H 1.896 0.005 2 2034 202 202 MET HB3 H 2.717 0.005 2 2035 202 202 MET HG2 H 2.480 0.005 2 2036 202 202 MET HG3 H 2.718 0.005 2 2037 202 202 MET HE H 2.370 0.005 1 2038 202 202 MET C C 178.790 0.500 1 2039 202 202 MET CA C 58.137 0.100 1 2040 202 202 MET CB C 32.562 0.100 1 2041 202 202 MET N N 117.632 0.200 1 2042 203 203 ALA H H 7.949 0.005 1 2043 203 203 ALA HA H 3.748 0.005 1 2044 203 203 ALA HB H 1.190 0.005 1 2045 203 203 ALA C C 178.655 0.500 1 2046 203 203 ALA CA C 55.626 0.100 1 2047 203 203 ALA CB C 17.648 0.100 1 2048 203 203 ALA N N 120.614 0.200 1 2049 204 204 MET H H 7.471 0.005 1 2050 204 204 MET HA H 4.201 0.005 1 2051 204 204 MET HB2 H 1.892 0.005 2 2052 204 204 MET HB3 H 1.892 0.005 2 2053 204 204 MET HG2 H 1.892 0.005 2 2054 204 204 MET HG3 H 1.892 0.005 2 2055 204 204 MET C C 176.987 0.500 1 2056 204 204 MET CA C 57.308 0.100 1 2057 204 204 MET CB C 32.380 0.100 1 2058 204 204 MET CG C 31.998 0.100 1 2059 204 204 MET N N 115.659 0.200 1 2060 205 205 GLU H H 8.153 0.005 1 2061 205 205 GLU HA H 4.199 0.005 1 2062 205 205 GLU HB2 H 2.149 0.005 2 2063 205 205 GLU HB3 H 2.149 0.005 2 2064 205 205 GLU HG2 H 2.324 0.005 2 2065 205 205 GLU HG3 H 2.324 0.005 2 2066 205 205 GLU C C 179.107 0.500 1 2067 205 205 GLU CA C 61.164 0.100 1 2068 205 205 GLU CB C 29.913 0.100 1 2069 205 205 GLU CG C 37.285 0.100 1 2070 205 205 GLU N N 120.980 0.200 1 2071 206 206 VAL H H 8.052 0.005 1 2072 206 206 VAL HA H 3.794 0.005 1 2073 206 206 VAL HB H 2.012 0.005 1 2074 206 206 VAL HG1 H 0.978 0.005 1 2075 206 206 VAL HG2 H 0.978 0.005 1 2076 206 206 VAL C C 177.772 0.500 1 2077 206 206 VAL CA C 66.040 0.100 1 2078 206 206 VAL CB C 31.356 0.100 1 2079 206 206 VAL CG2 C 22.609 0.100 2 2080 206 206 VAL N N 118.945 0.200 1 2081 207 207 LEU H H 7.994 0.005 1 2082 207 207 LEU HA H 3.938 0.005 1 2083 207 207 LEU HB2 H 2.003 0.005 2 2084 207 207 LEU HB3 H 1.653 0.005 2 2085 207 207 LEU HG H 1.576 0.005 1 2086 207 207 LEU HD1 H 0.897 0.005 1 2087 207 207 LEU HD2 H 0.897 0.005 1 2088 207 207 LEU C C 178.663 0.500 1 2089 207 207 LEU CA C 58.683 0.100 1 2090 207 207 LEU CB C 42.239 0.100 1 2091 207 207 LEU CG C 27.919 0.100 1 2092 207 207 LEU CD2 C 25.150 0.100 2 2093 207 207 LEU N N 120.492 0.200 1 2094 208 208 LEU H H 8.295 0.005 1 2095 208 208 LEU HA H 4.137 0.005 1 2096 208 208 LEU HB2 H 2.121 0.005 2 2097 208 208 LEU HB3 H 1.732 0.005 2 2098 208 208 LEU HG H 1.704 0.005 1 2099 208 208 LEU HD1 H 0.882 0.005 1 2100 208 208 LEU HD2 H 0.882 0.005 1 2101 208 208 LEU C C 180.574 0.500 1 2102 208 208 LEU CA C 58.385 0.100 1 2103 208 208 LEU CB C 40.751 0.100 1 2104 208 208 LEU CG C 26.899 0.100 1 2105 208 208 LEU CD2 C 23.727 0.100 2 2106 208 208 LEU N N 117.086 0.200 1 2107 209 209 GLU H H 8.334 0.005 1 2108 209 209 GLU HA H 4.129 0.005 1 2109 209 209 GLU HB2 H 2.367 0.005 2 2110 209 209 GLU HB3 H 2.146 0.005 2 2111 209 209 GLU HG2 H 2.360 0.005 2 2112 209 209 GLU HG3 H 2.446 0.005 2 2113 209 209 GLU C C 178.858 0.500 1 2114 209 209 GLU CA C 59.511 0.100 1 2115 209 209 GLU CB C 30.134 0.100 1 2116 209 209 GLU CG C 36.526 0.100 1 2117 209 209 GLU N N 121.737 0.200 1 2118 210 210 VAL H H 7.887 0.005 1 2119 210 210 VAL HA H 4.594 0.005 1 2120 210 210 VAL HB H 2.243 0.005 1 2121 210 210 VAL HG1 H 1.098 0.005 1 2122 210 210 VAL HG2 H 1.052 0.005 1 2123 210 210 VAL C C 177.234 0.500 1 2124 210 210 VAL CA C 61.301 0.100 1 2125 210 210 VAL CB C 33.203 0.100 1 2126 210 210 VAL CG1 C 20.727 0.100 2 2127 210 210 VAL CG2 C 22.605 0.100 2 2128 210 210 VAL N N 113.598 0.200 1 2129 211 211 SER H H 7.638 0.005 1 2130 211 211 SER HA H 4.369 0.005 1 2131 211 211 SER HB2 H 3.894 0.005 2 2132 211 211 SER HB3 H 3.894 0.005 2 2133 211 211 SER C C 174.800 0.500 1 2134 211 211 SER CA C 61.363 0.100 1 2135 211 211 SER CB C 63.194 0.100 1 2136 211 211 SER N N 118.944 0.200 1 2137 212 212 ASP H H 8.293 0.005 1 2138 212 212 ASP HA H 4.382 0.005 1 2139 212 212 ASP HB2 H 2.841 0.005 2 2140 212 212 ASP HB3 H 2.656 0.005 2 2141 212 212 ASP C C 177.049 0.500 1 2142 212 212 ASP CA C 57.025 0.100 1 2143 212 212 ASP CB C 40.364 0.100 1 2144 212 212 ASP N N 119.591 0.200 1 2145 213 213 GLN H H 7.689 0.005 1 2146 213 213 GLN HA H 4.398 0.005 1 2147 213 213 GLN HB2 H 2.036 0.005 2 2148 213 213 GLN HB3 H 2.020 0.005 2 2149 213 213 GLN HG2 H 2.265 0.005 2 2150 213 213 GLN HG3 H 2.265 0.005 2 2151 213 213 GLN HE21 H 7.859 0.005 2 2152 213 213 GLN HE22 H 6.865 0.005 2 2153 213 213 GLN C C 177.019 0.500 1 2154 213 213 GLN CA C 57.142 0.100 1 2155 213 213 GLN CB C 30.200 0.100 1 2156 213 213 GLN CG C 33.963 0.100 1 2157 213 213 GLN N N 116.269 0.200 1 2158 213 213 GLN NE2 N 112.651 0.200 1 2159 214 214 ALA H H 8.042 0.005 1 2160 214 214 ALA HA H 3.715 0.005 1 2161 214 214 ALA HB H 0.714 0.005 1 2162 214 214 ALA C C 176.554 0.500 1 2163 214 214 ALA CA C 53.661 0.100 1 2164 214 214 ALA CB C 19.971 0.100 1 2165 214 214 ALA N N 119.290 0.200 1 2166 215 215 PHE H H 7.566 0.005 1 2167 215 215 PHE HA H 4.002 0.005 1 2168 215 215 PHE HB2 H 3.050 0.005 2 2169 215 215 PHE HB3 H 3.050 0.005 2 2170 215 215 PHE HD1 H 7.894 0.005 3 2171 215 215 PHE HD2 H 7.894 0.005 3 2172 215 215 PHE HE1 H 7.313 0.005 3 2173 215 215 PHE HE2 H 7.313 0.005 3 2174 215 215 PHE HZ H 7.144 0.005 1 2175 215 215 PHE C C 175.388 0.500 1 2176 215 215 PHE CA C 56.470 0.100 1 2177 215 215 PHE CB C 41.170 0.100 1 2178 215 215 PHE CD1 C 133.348 0.100 3 2179 215 215 PHE CD2 C 133.348 0.100 3 2180 215 215 PHE CE1 C 131.099 0.100 3 2181 215 215 PHE CE2 C 131.099 0.100 3 2182 215 215 PHE CZ C 129.758 0.100 1 2183 215 215 PHE N N 112.130 0.200 1 2184 217 217 PRO HA H 4.710 0.005 1 2185 217 217 PRO HB2 H 2.055 0.005 2 2186 217 217 PRO HB3 H 2.055 0.005 2 2187 217 217 PRO HG2 H 1.928 0.005 2 2188 217 217 PRO HG3 H 2.376 0.005 2 2189 217 217 PRO HD2 H 3.875 0.005 2 2190 217 217 PRO HD3 H 3.628 0.005 2 2191 217 217 PRO C C 175.500 0.500 1 2192 217 217 PRO CA C 62.736 0.100 1 2193 217 217 PRO CB C 32.843 0.100 1 2194 217 217 PRO CG C 30.888 0.100 1 2195 217 217 PRO CD C 50.885 0.100 1 2196 218 218 GLU H H 7.933 0.005 1 2197 218 218 GLU HA H 4.179 0.005 1 2198 218 218 GLU HB2 H 1.932 0.005 2 2199 218 218 GLU HB3 H 1.932 0.005 2 2200 218 218 GLU HG2 H 2.243 0.005 2 2201 218 218 GLU HG3 H 2.243 0.005 2 2202 218 218 GLU C C 180.418 0.500 1 2203 218 218 GLU CA C 57.276 0.100 1 2204 218 218 GLU CB C 30.449 0.100 1 2205 218 218 GLU CG C 36.418 0.100 1 2206 218 218 GLU N N 128.135 0.200 1 2207 219 219 LEU H H 8.062 0.005 1 2208 219 219 LEU HA H 4.396 0.005 1 2209 219 219 LEU HB2 H 1.585 0.005 2 2210 219 219 LEU HB3 H 1.585 0.005 2 2211 219 219 LEU HG H 1.614 0.005 1 2212 219 219 LEU HD1 H 0.888 0.005 1 2213 219 219 LEU HD2 H 0.888 0.005 1 2214 219 219 LEU C C 176.474 0.500 1 2215 219 219 LEU CA C 55.439 0.100 1 2216 219 219 LEU CB C 42.682 0.100 1 2217 219 219 LEU CG C 27.024 0.100 1 2218 219 219 LEU CD2 C 23.712 0.100 2 2219 219 219 LEU N N 122.058 0.200 1 2220 220 220 GLU H H 7.751 0.005 1 2221 220 220 GLU HA H 4.232 0.005 1 2222 220 220 GLU HB2 H 2.046 0.005 2 2223 220 220 GLU HB3 H 1.937 0.005 2 2224 220 220 GLU HG2 H 2.214 0.005 2 2225 220 220 GLU HG3 H 2.214 0.005 2 2226 220 220 GLU C C 180.864 0.500 1 2227 220 220 GLU CA C 58.146 0.100 1 2228 220 220 GLU CB C 31.419 0.100 1 2229 220 220 GLU CG C 36.730 0.100 1 2230 220 220 GLU N N 125.892 0.200 1 stop_ save_