data_4311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-Specific 1H, 13C and 15N Chemical Shift Assignment and Secondary Structure of the HTLV-I Capsid Protein ; _BMRB_accession_number 4311 _BMRB_flat_file_name bmr4311.str _Entry_type original _Submission_date 1999-02-25 _Accession_date 1999-02-25 _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 Khorasanizadeh Sepideh . . 2 Campos-Olivas Ramon . . 3 Clark Christine A. . 4 Summers Michael F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1381 "13C chemical shifts" 1307 "15N chemical shifts" 403 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-08-12 original author . stop_ _Original_release_date 1999-08-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Khorasanizadeh, S., Campos-Olivas, R., Clark, C.A., and Summers, M. F., "Sequence-Specific 1H, 13C and 15N Chemical Shift Assignment and Secondary Structure of the HTLV-I Capsid Protein," J. Biomol. NMR 14, 199-200 (1999). ; _Citation_title ; Sequence-Specific 1H, 13C and 15N Chemical Shift Assignment and Secondary Structure of the HTLV-I Capsid Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99356758 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Khorasanizadeh Sepideh . . 2 Campos-Olivas Ramon . . 3 Clark Christine A. . 4 Summers Michael F. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 14 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 199 _Page_last 200 _Year 1999 _Details . loop_ _Keyword HTLV-I perdeuteration 'retroviral capsid' stop_ save_ ################################## # Molecular system description # ################################## save_system_HTLV-I_capsid _Saveframe_category molecular_system _Mol_system_name 'human T-cell leukemia virus type I capsid monomer' _Abbreviation_common 'HTLV-I capsid' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HTLV-I capsid monomer' $HTLV-I_capsid stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function ; Oligomerizes to form the core particle, encapsulating the genome, of the retrovirus HTLV-I. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HTLV-I_capsid _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human T-cell leukemia virus type I capsid protein' _Name_variant 'delta15 variant' _Abbreviation_common 'HTLV-I capsid' _Molecular_mass 24500 _Mol_thiol_state . _Details ; residues 13-127 form the N-terminal domain, and residue 131-206 form the C-terminal domain ; ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; HHHHHSSGHIEGRHMQMKDL QAIKQEVSQAAPGSPQFMQT IRLAVQQFDPTAKDLQDLLQ YLCSSLVASLHHQQLDSLIS EAETRGITGYNPLAGPLRVQ ANNPQQQGLRREYQQLWLAA FAALPGSAKDPSWASILQGL EEPYHAFVERLNIALDNGLP EGTPKDPILRSLAYSNANKE CQKLLQARGHTNSPLGDMLR ACQTWTPKDKTKVL ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 HIS 3 HIS 4 HIS 5 HIS 6 SER 7 SER 8 GLY 9 HIS 10 ILE 11 GLU 12 GLY 13 ARG 14 HIS 15 MET 16 GLN 17 MET 18 LYS 19 ASP 20 LEU 21 GLN 22 ALA 23 ILE 24 LYS 25 GLN 26 GLU 27 VAL 28 SER 29 GLN 30 ALA 31 ALA 32 PRO 33 GLY 34 SER 35 PRO 36 GLN 37 PHE 38 MET 39 GLN 40 THR 41 ILE 42 ARG 43 LEU 44 ALA 45 VAL 46 GLN 47 GLN 48 PHE 49 ASP 50 PRO 51 THR 52 ALA 53 LYS 54 ASP 55 LEU 56 GLN 57 ASP 58 LEU 59 LEU 60 GLN 61 TYR 62 LEU 63 CYS 64 SER 65 SER 66 LEU 67 VAL 68 ALA 69 SER 70 LEU 71 HIS 72 HIS 73 GLN 74 GLN 75 LEU 76 ASP 77 SER 78 LEU 79 ILE 80 SER 81 GLU 82 ALA 83 GLU 84 THR 85 ARG 86 GLY 87 ILE 88 THR 89 GLY 90 TYR 91 ASN 92 PRO 93 LEU 94 ALA 95 GLY 96 PRO 97 LEU 98 ARG 99 VAL 100 GLN 101 ALA 102 ASN 103 ASN 104 PRO 105 GLN 106 GLN 107 GLN 108 GLY 109 LEU 110 ARG 111 ARG 112 GLU 113 TYR 114 GLN 115 GLN 116 LEU 117 TRP 118 LEU 119 ALA 120 ALA 121 PHE 122 ALA 123 ALA 124 LEU 125 PRO 126 GLY 127 SER 128 ALA 129 LYS 130 ASP 131 PRO 132 SER 133 TRP 134 ALA 135 SER 136 ILE 137 LEU 138 GLN 139 GLY 140 LEU 141 GLU 142 GLU 143 PRO 144 TYR 145 HIS 146 ALA 147 PHE 148 VAL 149 GLU 150 ARG 151 LEU 152 ASN 153 ILE 154 ALA 155 LEU 156 ASP 157 ASN 158 GLY 159 LEU 160 PRO 161 GLU 162 GLY 163 THR 164 PRO 165 LYS 166 ASP 167 PRO 168 ILE 169 LEU 170 ARG 171 SER 172 LEU 173 ALA 174 TYR 175 SER 176 ASN 177 ALA 178 ASN 179 LYS 180 GLU 181 CYS 182 GLN 183 LYS 184 LEU 185 LEU 186 GLN 187 ALA 188 ARG 189 GLY 190 HIS 191 THR 192 ASN 193 SER 194 PRO 195 LEU 196 GLY 197 ASP 198 MET 199 LEU 200 ARG 201 ALA 202 CYS 203 GLN 204 THR 205 TRP 206 THR 207 PRO 208 LYS 209 ASP 210 LYS 211 THR 212 LYS 213 VAL 214 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4649 "HTLV-I CAPSID PROTEIN" 57.01 134 97.54 97.54 2.74e-76 PDB 1G03 "Nmr Structure Of N-Terminal Domain Of Htlv-I Ca1-134" 57.01 134 97.54 97.54 2.93e-76 PDB 1QRJ "Solution Structure Of Htlv-i Capsid Protein" 100.00 214 100.00 100.00 2.04e-155 EMBL CAA62992 "p24 protein [Human T-lymphotropic virus 1]" 94.39 213 98.51 98.51 9.89e-141 GB AAB20767 "Gag [Human T-lymphotropic virus 1]" 94.39 429 97.52 98.02 8.45e-136 GB AAC82581 "Pr gag-pro-pol [Human T-lymphotropic virus 1]" 94.39 1462 98.51 98.51 1.16e-127 GB AAD50661 "Pr55 [Human T-lymphotropic virus 1]" 94.39 449 99.01 99.01 4.66e-137 GB AAD50663 "Pr gag-pro-pol [Human T-lymphotropic virus 1]" 94.39 1273 99.01 99.01 1.59e-129 GB AFM84142 "major core viral protein, partial [Human T-lymphotropic virus 1]" 94.39 214 98.51 98.51 6.33e-141 REF NP_057860 "Pr gag-pro-pol [Human T-lymphotropic virus 1]" 94.39 1462 98.51 98.51 1.16e-127 REF NP_955618 "p24 CA [Human T-lymphotropic virus 1]" 94.39 215 98.51 98.51 7.90e-141 SP P03362 "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" 94.39 1462 99.01 99.01 1.93e-128 SP P14078 "RecName: Full=Gag-Pro-Pol polyprotein; AltName: Full=Pr160Gag-Pro-Pol; Contains: RecName: Full=Matrix protein p19; Short=MA; Co" 94.39 1462 98.51 98.51 1.16e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HTLV-I_capsid HTLV-I 11908 . . 'BLV-HTLV retroviruses' 'Human T-cell lymphotropic virus type 1' 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 $HTLV-I_capsid 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HTLV-I_capsid 1 mM 0.9 1.3 '[U-13C; U-15N]' H2O 100 % . . . stop_ save_ save_sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $HTLV-I_capsid 1 mM 0.9 1.3 '[U-13C; U-15N; U-2H]' H2O 100 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 303 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HTLV-I capsid monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 7 SER HA H 4.531 0.015 1 2 . 7 SER HB2 H 3.956 0.015 2 3 . 7 SER HB3 H 3.906 0.015 2 4 . 7 SER C C 175.154 0.06 1 5 . 7 SER CA C 58.636 0.06 1 6 . 7 SER CB C 63.832 0.06 1 7 . 8 GLY H H 8.427 0.015 1 8 . 8 GLY HA2 H 4.006 0.015 1 9 . 8 GLY HA3 H 4.006 0.015 1 10 . 8 GLY C C 173.962 0.06 1 11 . 8 GLY CA C 45.296 0.06 1 12 . 8 GLY N N 110.338 0.03 1 13 . 9 HIS H H 8.232 0.015 1 14 . 9 HIS HA H 4.697 0.015 1 15 . 9 HIS HB2 H 3.196 0.015 1 16 . 9 HIS HB3 H 3.196 0.015 1 17 . 9 HIS HD2 H 7.099 0.015 1 18 . 9 HIS HE1 H 8.149 0.015 1 19 . 9 HIS C C 174.954 0.06 1 20 . 9 HIS CA C 56.098 0.06 1 21 . 9 HIS CB C 30.329 0.06 1 22 . 9 HIS CD2 C 119.770 0.06 1 23 . 9 HIS CE1 C 137.534 0.06 1 24 . 9 HIS N N 119.090 0.03 1 25 . 10 ILE H H 8.198 0.015 1 26 . 10 ILE HA H 4.207 0.015 1 27 . 10 ILE HB H 1.856 0.015 1 28 . 10 ILE HG12 H 1.481 0.015 2 29 . 10 ILE HG13 H 1.177 0.015 2 30 . 10 ILE HG2 H 0.927 0.015 1 31 . 10 ILE HD1 H 0.878 0.015 1 32 . 10 ILE C C 176.049 0.06 1 33 . 10 ILE CA C 60.949 0.06 1 34 . 10 ILE CB C 38.947 0.06 1 35 . 10 ILE CG1 C 27.2680 0.06 1 36 . 10 ILE CG2 C 17.6340 0.06 1 37 . 10 ILE CD1 C 12.966 0.06 1 38 . 10 ILE N N 123.072 0.03 1 39 . 11 GLU H H 8.556 0.015 1 40 . 11 GLU HA H 4.344 0.015 1 41 . 11 GLU HB2 H 2.062 0.015 1 42 . 11 GLU HB3 H 2.062 0.015 1 43 . 11 GLU HG2 H 2.349 0.015 1 44 . 11 GLU HG3 H 2.349 0.015 1 45 . 11 GLU C C 176.989 0.06 1 46 . 11 GLU CA C 56.724 0.06 1 47 . 11 GLU CB C 30.425 0.06 1 48 . 11 GLU CG C 36.319 0.06 1 49 . 11 GLU N N 125.410 0.03 1 50 . 12 GLY H H 8.533 0.015 1 51 . 12 GLY HA2 H 4.000 0.015 1 52 . 12 GLY HA3 H 4.000 0.015 1 53 . 12 GLY C C 173.521 0.06 1 54 . 12 GLY CA C 45.545 0.06 1 55 . 12 GLY N N 110.458 0.03 1 56 . 13 ARG H H 7.970 0.015 1 57 . 13 ARG HA H 4.517 0.015 1 58 . 13 ARG HB2 H 2.009 0.015 2 59 . 13 ARG HB3 H 1.763 0.015 2 60 . 13 ARG HG2 H 1.603 0.015 1 61 . 13 ARG HG3 H 1.603 0.015 1 62 . 13 ARG HD2 H 3.189 0.015 1 63 . 13 ARG HD3 H 3.189 0.015 1 64 . 13 ARG C C 175.999 0.06 1 65 . 13 ARG CA C 55.479 0.06 1 66 . 13 ARG CB C 31.951 0.06 1 67 . 13 ARG CG C 27.331 0.06 1 68 . 13 ARG CD C 43.207 0.06 1 69 . 13 ARG N N 119.602 0.03 1 70 . 14 HIS H H 9.827 0.015 1 71 . 14 HIS HA H 5.033 0.015 1 72 . 14 HIS HB2 H 3.516 0.015 2 73 . 14 HIS HB3 H 3.212 0.015 2 74 . 14 HIS HD2 H 7.196 0.015 1 75 . 14 HIS HE1 H 8.217 0.015 1 76 . 14 HIS C C 175.049 0.06 1 77 . 14 HIS CA C 54.375 0.06 1 78 . 14 HIS CB C 30.886 0.06 1 79 . 14 HIS CD2 C 120.634 0.06 1 80 . 14 HIS CE1 C 136.241 0.06 1 81 . 14 HIS N N 121.615 0.03 1 82 . 15 MET H H 8.656 0.015 1 83 . 15 MET HA H 4.168 0.015 1 84 . 15 MET HB2 H 1.675 0.015 1 85 . 15 MET HB3 H 1.675 0.015 1 86 . 15 MET HG2 H 1.680 0.015 2 87 . 15 MET HG3 H 2.006 0.015 2 88 . 15 MET HE H 1.534 0.015 1 89 . 15 MET C C 175.207 0.06 1 90 . 15 MET CA C 56.147 0.06 1 91 . 15 MET CB C 34.814 0.06 1 92 . 15 MET CG C 32.533 0.06 1 93 . 15 MET CE C 17.117 0.06 1 94 . 15 MET N N 120.901 0.03 1 95 . 16 GLN H H 9.522 0.015 1 96 . 16 GLN HA H 4.669 0.015 1 97 . 16 GLN HB2 H 2.464 0.015 2 98 . 16 GLN HB3 H 1.907 0.015 2 99 . 16 GLN HG2 H 2.469 0.015 1 100 . 16 GLN HG3 H 2.469 0.015 1 101 . 16 GLN C C 177.596 0.06 1 102 . 16 GLN CA C 53.740 0.06 1 103 . 16 GLN CB C 31.779 0.06 1 104 . 16 GLN CG C 34.062 0.06 1 105 . 16 GLN N N 122.553 0.03 1 106 . 17 MET H H 8.961 0.015 1 107 . 17 MET HA H 4.165 0.015 1 108 . 17 MET HB2 H 2.156 0.015 2 109 . 17 MET HB3 H 2.085 0.015 2 110 . 17 MET HG2 H 2.656 0.015 2 111 . 17 MET HG3 H 2.535 0.015 2 112 . 17 MET HE H 2.015 0.015 1 113 . 17 MET C C 178.681 0.06 1 114 . 17 MET CA C 58.978 0.06 1 115 . 17 MET CB C 30.861 0.06 1 116 . 17 MET CG C 31.897 0.06 1 117 . 17 MET CE C 16.801 0.06 1 118 . 17 MET N N 123.362 0.03 1 119 . 18 LYS H H 8.588 0.015 1 120 . 18 LYS HA H 4.174 0.015 1 121 . 18 LYS HB2 H 1.898 0.015 2 122 . 18 LYS HB3 H 1.836 0.015 2 123 . 18 LYS HG2 H 1.442 0.015 2 124 . 18 LYS HG3 H 1.400 0.015 2 125 . 18 LYS HD2 H 1.691 0.015 1 126 . 18 LYS HD3 H 1.691 0.015 1 127 . 18 LYS HE2 H 3.050 0.015 1 128 . 18 LYS HE3 H 3.050 0.015 1 129 . 18 LYS C C 178.736 0.06 1 130 . 18 LYS CA C 58.915 0.06 1 131 . 18 LYS CB C 31.440 0.06 1 132 . 18 LYS CG C 24.403 0.06 1 133 . 18 LYS CD C 29.489 0.06 1 134 . 18 LYS CE C 42.078 0.06 1 135 . 18 LYS N N 115.724 0.03 1 136 . 19 ASP H H 7.305 0.015 1 137 . 19 ASP HA H 4.533 0.015 1 138 . 19 ASP HB2 H 2.589 0.015 1 139 . 19 ASP HB3 H 2.226 0.015 1 140 . 19 ASP C C 177.795 0.06 1 141 . 19 ASP CA C 56.839 0.06 1 142 . 19 ASP CB C 41.644 0.06 1 143 . 19 ASP N N 120.367 0.03 1 144 . 20 LEU H H 7.395 0.015 1 145 . 20 LEU HA H 3.664 0.015 1 146 . 20 LEU HB2 H 1.529 0.015 2 147 . 20 LEU HB3 H 0.818 0.015 2 148 . 20 LEU HG H 2.003 0.015 1 149 . 20 LEU HD1 H 0.629 0.015 1 150 . 20 LEU HD2 H 0.595 0.015 1 151 . 20 LEU C C 178.929 0.06 1 152 . 20 LEU CA C 58.718 0.06 1 153 . 20 LEU CB C 39.976 0.06 1 154 . 20 LEU CG C 30.872 0.06 1 155 . 20 LEU CD1 C 25.048 0.06 1 156 . 20 LEU CD2 C 23.967 0.06 1 157 . 20 LEU N N 120.061 0.03 1 158 . 21 GLN H H 8.150 0.015 1 159 . 21 GLN HA H 4.179 0.015 1 160 . 21 GLN HB2 H 2.144 0.015 1 161 . 21 GLN HB3 H 2.144 0.015 1 162 . 21 GLN HG2 H 2.554 0.015 1 163 . 21 GLN HG3 H 2.554 0.015 1 164 . 21 GLN HE21 H 7.315 0.015 2 165 . 21 GLN HE22 H 6.855 0.015 2 166 . 21 GLN C C 178.646 0.06 1 167 . 21 GLN CA C 59.010 0.06 1 168 . 21 GLN CB C 28.194 0.06 1 169 . 21 GLN CG C 34.046 0.06 1 170 . 21 GLN N N 116.432 0.03 1 171 . 21 GLN NE2 N 110.740 0.03 1 172 . 22 ALA H H 7.666 0.015 1 173 . 22 ALA HA H 4.244 0.015 1 174 . 22 ALA HB H 1.689 0.015 1 175 . 22 ALA C C 180.893 0.06 1 176 . 22 ALA CA C 55.275 0.06 1 177 . 22 ALA CB C 18.059 0.06 1 178 . 22 ALA N N 122.472 0.03 1 179 . 23 ILE H H 8.081 0.015 1 180 . 23 ILE HA H 3.698 0.015 1 181 . 23 ILE HB H 1.888 0.015 1 182 . 23 ILE HG12 H 1.950 0.015 2 183 . 23 ILE HG13 H 1.003 0.015 2 184 . 23 ILE HG2 H 0.817 0.015 1 185 . 23 ILE HD1 H 0.726 0.015 1 186 . 23 ILE C C 177.652 0.06 1 187 . 23 ILE CA C 65.138 0.06 1 188 . 23 ILE CB C 38.102 0.06 1 189 . 23 ILE CG1 C 29.307 0.06 1 190 . 23 ILE CG2 C 18.382 0.06 1 191 . 23 ILE CD1 C 15.052 0.06 1 192 . 23 ILE N N 119.811 0.03 1 193 . 24 LYS H H 8.340 0.015 1 194 . 24 LYS HA H 3.884 0.015 1 195 . 24 LYS HB2 H 2.296 0.015 2 196 . 24 LYS HB3 H 1.968 0.015 2 197 . 24 LYS HG2 H 1.509 0.015 1 198 . 24 LYS HG3 H 1.509 0.015 1 199 . 24 LYS HD2 H 1.605 0.015 1 200 . 24 LYS HD3 H 1.605 0.015 1 201 . 24 LYS HE2 H 2.915 0.015 1 202 . 24 LYS HE3 H 2.915 0.015 1 203 . 24 LYS C C 179.090 0.06 1 204 . 24 LYS CA C 60.012 0.06 1 205 . 24 LYS CB C 32.787 0.06 1 206 . 24 LYS CG C 25.428 0.06 1 207 . 24 LYS CD C 30.008 0.06 1 208 . 24 LYS CE C 42.341 0.06 1 209 . 24 LYS N N 119.774 0.03 1 210 . 25 GLN H H 8.104 0.015 1 211 . 25 GLN HA H 4.179 0.015 1 212 . 25 GLN HB2 H 2.294 0.015 1 213 . 25 GLN HB3 H 2.294 0.015 1 214 . 25 GLN HG2 H 2.555 0.015 1 215 . 25 GLN HG3 H 2.555 0.015 1 216 . 25 GLN C C 178.871 0.06 1 217 . 25 GLN CA C 58.709 0.06 1 218 . 25 GLN CB C 28.455 0.06 1 219 . 25 GLN CG C 34.050 0.06 1 220 . 25 GLN N N 117.427 0.03 1 221 . 26 GLU H H 7.850 0.015 1 222 . 26 GLU HA H 4.183 0.015 1 223 . 26 GLU HB2 H 2.229 0.015 1 224 . 26 GLU HB3 H 2.229 0.015 1 225 . 26 GLU HG2 H 2.424 0.015 1 226 . 26 GLU HG3 H 2.424 0.015 1 227 . 26 GLU C C 179.131 0.06 1 228 . 26 GLU CA C 58.729 0.06 1 229 . 26 GLU CB C 30.066 0.06 1 230 . 26 GLU CG C 36.157 0.06 1 231 . 26 GLU N N 119.625 0.03 1 232 . 27 VAL H H 8.135 0.015 1 233 . 27 VAL HA H 4.207 0.015 1 234 . 27 VAL HB H 2.531 0.015 1 235 . 27 VAL HG1 H 0.969 0.015 1 236 . 27 VAL HG2 H 1.025 0.015 1 237 . 27 VAL C C 177.148 0.06 1 238 . 27 VAL CA C 63.312 0.06 1 239 . 27 VAL CB C 32.171 0.06 1 240 . 27 VAL CG1 C 22.602 0.06 1 241 . 27 VAL CG2 C 21.682 0.06 1 242 . 27 VAL N N 113.633 0.03 1 243 . 28 SER H H 7.694 0.015 1 244 . 28 SER HA H 4.195 0.015 1 245 . 28 SER HB2 H 4.210 0.015 2 246 . 28 SER HB3 H 3.998 0.015 2 247 . 28 SER C C 175.652 0.06 1 248 . 28 SER CA C 60.177 0.06 1 249 . 28 SER CB C 62.437 0.06 1 250 . 28 SER N N 114.808 0.03 1 251 . 29 GLN H H 8.494 0.015 1 252 . 29 GLN HA H 4.471 0.015 1 253 . 29 GLN HB2 H 2.469 0.015 2 254 . 29 GLN HB3 H 2.095 0.015 2 255 . 29 GLN HG2 H 2.436 0.015 1 256 . 29 GLN HG3 H 2.436 0.015 1 257 . 29 GLN C C 175.239 0.06 1 258 . 29 GLN CA C 55.529 0.06 1 259 . 29 GLN CB C 28.426 0.06 1 260 . 29 GLN CG C 34.479 0.06 1 261 . 29 GLN N N 118.184 0.03 1 262 . 30 ALA H H 7.989 0.015 1 263 . 30 ALA HA H 4.549 0.015 1 264 . 30 ALA HB H 1.530 0.015 1 265 . 30 ALA C C 176.495 0.06 1 266 . 30 ALA CA C 51.645 0.06 1 267 . 30 ALA CB C 20.200 0.06 1 268 . 30 ALA N N 124.414 0.03 1 269 . 31 ALA H H 8.686 0.015 1 270 . 31 ALA HA H 4.546 0.015 1 271 . 31 ALA HB H 1.414 0.015 1 272 . 31 ALA C C 176.953 0.06 1 273 . 31 ALA CA C 50.310 0.06 1 274 . 31 ALA CB C 17.744 0.06 1 275 . 31 ALA N N 124.917 0.03 1 276 . 32 PRO HA H 4.423 0.015 1 277 . 32 PRO HB2 H 2.444 0.015 2 278 . 32 PRO HG2 H 2.328 0.015 2 279 . 32 PRO HG3 H 2.025 0.015 2 280 . 32 PRO HD2 H 3.912 0.015 2 281 . 32 PRO HD3 H 3.680 0.015 2 282 . 32 PRO C C 176.452 0.06 1 283 . 32 PRO CA C 63.031 0.06 1 284 . 32 PRO CB C 31.714 0.06 1 285 . 32 PRO CG C 28.400 0.06 1 286 . 32 PRO CD C 50.468 0.06 1 287 . 33 GLY H H 5.589 0.015 1 288 . 33 GLY HA2 H 3.643 0.015 2 289 . 33 GLY HA3 H 4.390 0.015 2 290 . 33 GLY C C 172.966 0.06 1 291 . 33 GLY CA C 45.159 0.06 1 292 . 33 GLY N N 108.140 0.03 1 293 . 34 SER H H 8.078 0.015 1 294 . 34 SER HA H 4.768 0.015 1 295 . 34 SER HB2 H 4.503 0.015 2 296 . 34 SER HB3 H 4.101 0.015 2 297 . 34 SER C C 173.170 0.06 1 298 . 34 SER CA C 58.141 0.06 1 299 . 34 SER CB C 62.675 0.06 1 300 . 34 SER N N 117.438 0.03 1 301 . 35 PRO HA H 4.382 0.015 1 302 . 35 PRO HB2 H 2.498 0.015 2 303 . 35 PRO HB3 H 2.070 0.015 2 304 . 35 PRO HG2 H 2.214 0.015 1 305 . 35 PRO HG3 H 2.214 0.015 1 306 . 35 PRO HD2 H 4.033 0.015 1 307 . 35 PRO HD3 H 4.033 0.015 1 308 . 35 PRO C C 179.582 0.06 1 309 . 35 PRO CA C 66.898 0.06 1 310 . 35 PRO CB C 31.955 0.06 1 311 . 35 PRO CG C 28.303 0.06 1 312 . 35 PRO CD C 50.412 0.06 1 313 . 36 GLN H H 8.978 0.015 1 314 . 36 GLN HA H 4.150 0.015 1 315 . 36 GLN HB2 H 2.239 0.015 2 316 . 36 GLN HB3 H 2.028 0.015 2 317 . 36 GLN HG2 H 2.508 0.015 1 318 . 36 GLN HG3 H 2.508 0.015 1 319 . 36 GLN C C 178.578 0.06 1 320 . 36 GLN CA C 59.365 0.06 1 321 . 36 GLN CB C 28.222 0.06 1 322 . 36 GLN CG C 33.881 0.06 1 323 . 36 GLN N N 116.761 0.03 1 324 . 37 PHE H H 7.312 0.015 1 325 . 37 PHE HA H 3.958 0.015 1 326 . 37 PHE HB2 H 3.388 0.015 2 327 . 37 PHE HB3 H 1.569 0.015 2 328 . 37 PHE HD1 H 7.172 0.015 1 329 . 37 PHE HD2 H 7.172 0.015 1 330 . 37 PHE HE1 H 6.766 0.015 1 331 . 37 PHE HE2 H 6.766 0.015 1 332 . 37 PHE HZ H 6.831 0.015 1 333 . 37 PHE C C 176.891 0.06 1 334 . 37 PHE CA C 61.158 0.06 1 335 . 37 PHE CB C 40.383 0.06 1 336 . 37 PHE CD1 C 132.812 0.06 1 337 . 37 PHE CD2 C 132.812 0.06 1 338 . 37 PHE CE1 C 132.009 0.06 1 339 . 37 PHE CE2 C 132.009 0.06 1 340 . 37 PHE CZ C 129.559 0.06 1 341 . 37 PHE N N 120.913 0.03 1 342 . 38 MET H H 8.885 0.015 1 343 . 38 MET HA H 4.429 0.015 1 344 . 38 MET HB2 H 2.094 0.015 1 345 . 38 MET HB3 H 2.094 0.015 1 346 . 38 MET HE H 2.132 0.015 1 347 . 38 MET C C 179.089 0.06 1 348 . 38 MET CA C 55.416 0.06 1 349 . 38 MET CB C 28.404 0.06 1 350 . 38 MET CE C 15.115 0.06 1 351 . 38 MET N N 114.678 0.03 1 352 . 39 GLN H H 8.421 0.015 1 353 . 39 GLN HA H 4.149 0.015 1 354 . 39 GLN HB2 H 2.228 0.015 1 355 . 39 GLN HB3 H 2.228 0.015 1 356 . 39 GLN HG2 H 2.498 0.015 1 357 . 39 GLN HG3 H 2.498 0.015 1 358 . 39 GLN C C 178.591 0.06 1 359 . 39 GLN CA C 59.263 0.06 1 360 . 39 GLN CB C 28.338 0.06 1 361 . 39 GLN CG C 33.615 0.06 1 362 . 39 GLN N N 119.606 0.03 1 363 . 40 THR H H 7.422 0.015 1 364 . 40 THR HA H 3.947 0.015 1 365 . 40 THR HB H 3.955 0.015 1 366 . 40 THR HG2 H 1.176 0.015 1 367 . 40 THR C C 177.045 0.06 1 368 . 40 THR CA C 67.020 0.06 1 369 . 40 THR CB C 68.468 0.06 1 370 . 40 THR CG2 C 22.822 0.06 1 371 . 40 THR N N 115.580 0.03 1 372 . 41 ILE H H 8.155 0.015 1 373 . 41 ILE HA H 3.933 0.015 1 374 . 41 ILE HB H 1.782 0.015 1 375 . 41 ILE HG12 H 1.281 0.015 2 376 . 41 ILE HG13 H 1.031 0.015 2 377 . 41 ILE HG2 H 0.813 0.015 1 378 . 41 ILE HD1 H 0.423 0.015 1 379 . 41 ILE C C 177.894 0.06 1 380 . 41 ILE CA C 63.925 0.06 1 381 . 41 ILE CB C 36.678 0.06 1 382 . 41 ILE CG1 C 27.972 0.06 1 383 . 41 ILE CG2 C 19.092 0.06 1 384 . 41 ILE CD1 C 13.203 0.06 1 385 . 41 ILE N N 119.381 0.03 1 386 . 42 ARG H H 8.886 0.015 1 387 . 42 ARG HA H 4.019 0.015 1 388 . 42 ARG HB2 H 2.022 0.015 1 389 . 42 ARG HB3 H 1.891 0.015 1 390 . 42 ARG HD2 H 3.244 0.015 1 391 . 42 ARG HD3 H 3.244 0.015 1 392 . 42 ARG C C 179.633 0.06 1 393 . 42 ARG CA C 61.092 0.06 1 394 . 42 ARG CB C 30.143 0.06 1 395 . 42 ARG CD C 43.499 0.06 1 396 . 42 ARG N N 122.073 0.03 1 397 . 43 LEU H H 7.534 0.015 1 398 . 43 LEU HA H 4.217 0.015 1 399 . 43 LEU HB2 H 1.910 0.015 2 400 . 43 LEU HB3 H 1.781 0.015 2 401 . 43 LEU HG H 1.785 0.015 1 402 . 43 LEU HD1 H 0.992 0.015 1 403 . 43 LEU HD2 H 0.973 0.015 1 404 . 43 LEU C C 179.169 0.06 1 405 . 43 LEU CA C 58.041 0.06 1 406 . 43 LEU CB C 41.287 0.06 1 407 . 43 LEU CG C 27.140 0.06 1 408 . 43 LEU CD1 C 24.606 0.06 1 409 . 43 LEU CD2 C 24.273 0.06 1 410 . 43 LEU N N 120.081 0.03 1 411 . 44 ALA H H 7.947 0.015 1 412 . 44 ALA HA H 4.361 0.015 1 413 . 44 ALA HB H 1.615 0.015 1 414 . 44 ALA C C 180.033 0.06 1 415 . 44 ALA CA C 55.147 0.06 1 416 . 44 ALA CB C 17.618 0.06 1 417 . 44 ALA N N 121.912 0.03 1 418 . 45 VAL H H 8.426 0.015 1 419 . 45 VAL HA H 3.431 0.015 1 420 . 45 VAL HB H 2.417 0.015 1 421 . 45 VAL HG1 H 0.965 0.015 1 422 . 45 VAL HG2 H 1.121 0.015 1 423 . 45 VAL C C 178.738 0.06 1 424 . 45 VAL CA C 66.422 0.06 1 425 . 45 VAL CB C 31.329 0.06 1 426 . 45 VAL CG1 C 21.988 0.06 1 427 . 45 VAL CG2 C 24.030 0.06 1 428 . 45 VAL N N 118.315 0.03 1 429 . 46 GLN H H 7.934 0.015 1 430 . 46 GLN HA H 4.092 0.015 1 431 . 46 GLN HB2 H 2.372 0.015 2 432 . 46 GLN HB3 H 2.239 0.015 2 433 . 46 GLN HG2 H 2.347 0.015 1 434 . 46 GLN HG3 H 2.347 0.015 1 435 . 46 GLN HE21 H 7.481 0.015 2 436 . 46 GLN HE22 H 6.737 0.015 2 437 . 46 GLN C C 177.940 0.06 1 438 . 46 GLN CA C 58.921 0.06 1 439 . 46 GLN CB C 28.863 0.06 1 440 . 46 GLN CG C 34.024 0.06 1 441 . 46 GLN N N 120.064 0.03 1 442 . 46 GLN NE2 N 111.035 0.03 1 443 . 47 GLN H H 8.392 0.015 1 444 . 47 GLN HA H 3.943 0.015 1 445 . 47 GLN HB2 H 1.945 0.015 2 446 . 47 GLN HB3 H 1.508 0.015 2 447 . 47 GLN HG2 H 2.051 0.015 2 448 . 47 GLN HG3 H 1.712 0.015 2 449 . 47 GLN HE21 H 6.939 0.015 2 450 . 47 GLN HE22 H 6.672 0.015 2 451 . 47 GLN C C 178.087 0.06 1 452 . 47 GLN CA C 58.498 0.06 1 453 . 47 GLN CB C 29.089 0.06 1 454 . 47 GLN CG C 33.361 0.06 1 455 . 47 GLN N N 116.758 0.03 1 456 . 47 GLN NE2 N 110.350 0.03 1 457 . 48 PHE H H 8.226 0.015 1 458 . 48 PHE HA H 4.579 0.015 1 459 . 48 PHE HB2 H 3.207 0.015 2 460 . 48 PHE HB3 H 2.823 0.015 2 461 . 48 PHE HD1 H 7.469 0.015 1 462 . 48 PHE HD2 H 7.469 0.015 1 463 . 48 PHE HE1 H 7.339 0.015 1 464 . 48 PHE HE2 H 7.339 0.015 1 465 . 48 PHE HZ H 7.307 0.015 1 466 . 48 PHE C C 175.432 0.06 1 467 . 48 PHE CA C 59.236 0.06 1 468 . 48 PHE CB C 40.235 0.06 1 469 . 48 PHE CD1 C 131.876 0.06 1 470 . 48 PHE CD2 C 131.876 0.06 1 471 . 48 PHE CE1 C 131.288 0.06 1 472 . 48 PHE CE2 C 131.288 0.06 1 473 . 48 PHE CZ C 130.141 0.06 1 474 . 48 PHE N N 112.681 0.03 1 475 . 49 ASP H H 7.892 0.015 1 476 . 49 ASP HA H 4.563 0.015 1 477 . 49 ASP HB2 H 3.238 0.015 2 478 . 49 ASP HB3 H 2.570 0.015 2 479 . 49 ASP C C 172.872 0.06 1 480 . 49 ASP CA C 54.385 0.06 1 481 . 49 ASP CB C 39.972 0.06 1 482 . 49 ASP N N 117.158 0.03 1 483 . 50 PRO HA H 4.686 0.015 1 484 . 50 PRO HB2 H 2.203 0.015 1 485 . 50 PRO HB3 H 2.203 0.015 1 486 . 50 PRO HD2 H 4.068 0.015 2 487 . 50 PRO HD3 H 3.783 0.015 2 488 . 50 PRO C C 178.039 0.06 1 489 . 50 PRO CA C 62.471 0.06 1 490 . 50 PRO CB C 33.801 0.06 1 491 . 50 PRO CD C 52.023 0.06 1 492 . 51 THR H H 8.945 0.015 1 493 . 51 THR HA H 4.095 0.015 1 494 . 51 THR HB H 5.242 0.015 1 495 . 51 THR HG2 H 1.149 0.015 1 496 . 51 THR C C 174.736 0.06 1 497 . 51 THR CA C 60.609 0.06 1 498 . 51 THR CB C 70.173 0.06 1 499 . 51 THR CG2 C 21.370 0.06 1 500 . 51 THR N N 110.031 0.03 1 501 . 52 ALA H H 6.690 0.015 1 502 . 52 ALA HA H 3.946 0.015 1 503 . 52 ALA HB H 0.858 0.015 1 504 . 52 ALA C C 180.879 0.06 1 505 . 52 ALA CA C 56.067 0.06 1 506 . 52 ALA CB C 18.192 0.06 1 507 . 52 ALA N N 120.455 0.03 1 508 . 53 LYS H H 8.699 0.015 1 509 . 53 LYS HA H 4.073 0.015 1 510 . 53 LYS HB2 H 1.765 0.015 1 511 . 53 LYS HB3 H 1.765 0.015 1 512 . 53 LYS HG2 H 1.458 0.015 1 513 . 53 LYS HG3 H 1.458 0.015 1 514 . 53 LYS HD2 H 1.683 0.015 1 515 . 53 LYS HD3 H 1.683 0.015 1 516 . 53 LYS HE2 H 3.032 0.015 1 517 . 53 LYS HE3 H 3.032 0.015 1 518 . 53 LYS C C 178.553 0.06 1 519 . 53 LYS CA C 59.274 0.06 1 520 . 53 LYS CB C 32.152 0.06 1 521 . 53 LYS CG C 25.011 0.06 1 522 . 53 LYS CD C 28.766 0.06 1 523 . 53 LYS CE C 42.196 0.06 1 524 . 53 LYS N N 122.216 0.03 1 525 . 54 ASP H H 7.426 0.015 1 526 . 54 ASP HA H 4.240 0.015 1 527 . 54 ASP HB2 H 2.998 0.015 2 528 . 54 ASP HB3 H 2.532 0.015 2 529 . 54 ASP C C 178.613 0.06 1 530 . 54 ASP CA C 57.553 0.06 1 531 . 54 ASP CB C 42.007 0.06 1 532 . 54 ASP N N 119.520 0.03 1 533 . 55 LEU H H 7.987 0.015 1 534 . 55 LEU HA H 3.577 0.015 1 535 . 55 LEU HB2 H 2.937 0.015 2 536 . 55 LEU HB3 H 2.625 0.015 2 537 . 55 LEU HG H 1.807 0.015 1 538 . 55 LEU HD1 H 0.418 0.015 1 539 . 55 LEU HD2 H -0.546 0.015 1 540 . 55 LEU C C 178.510 0.06 1 541 . 55 LEU CA C 57.317 0.06 1 542 . 55 LEU CB C 39.879 0.06 1 543 . 55 LEU CG C 28.792 0.06 1 544 . 55 LEU CD1 C 26.003 0.06 1 545 . 55 LEU CD2 C 20.795 0.06 1 546 . 55 LEU N N 117.796 0.03 1 547 . 56 GLN H H 7.862 0.015 1 548 . 56 GLN HA H 4.632 0.015 1 549 . 56 GLN HB2 H 2.327 0.015 1 550 . 56 GLN HB3 H 2.327 0.015 1 551 . 56 GLN HG2 H 2.649 0.015 2 552 . 56 GLN HG3 H 2.563 0.015 2 553 . 56 GLN HE21 H 7.642 0.015 2 554 . 56 GLN HE22 H 7.018 0.015 2 555 . 56 GLN C C 178.389 0.06 1 556 . 56 GLN CA C 58.332 0.06 1 557 . 56 GLN CB C 27.595 0.06 1 558 . 56 GLN CG C 33.107 0.06 1 559 . 56 GLN N N 121.406 0.03 1 560 . 56 GLN NE2 N 112.046 0.03 1 561 . 57 ASP H H 8.021 0.015 1 562 . 57 ASP HA H 4.481 0.015 1 563 . 57 ASP HB2 H 2.933 0.015 2 564 . 57 ASP HB3 H 2.619 0.015 2 565 . 57 ASP C C 179.432 0.06 1 566 . 57 ASP CA C 57.442 0.06 1 567 . 57 ASP CB C 39.668 0.06 1 568 . 57 ASP N N 121.117 0.03 1 569 . 58 LEU H H 8.539 0.015 1 570 . 58 LEU HA H 4.137 0.015 1 571 . 58 LEU HB2 H 2.094 0.015 2 572 . 58 LEU HG H 1.754 0.015 1 573 . 58 LEU HD1 H 0.963 0.015 1 574 . 58 LEU HD2 H 0.866 0.015 1 575 . 58 LEU C C 178.189 0.06 1 576 . 58 LEU CA C 58.435 0.06 1 577 . 58 LEU CB C 42.124 0.06 1 578 . 58 LEU CG C 27.192 0.06 1 579 . 58 LEU CD1 C 24.280 0.06 1 580 . 58 LEU CD2 C 25.696 0.06 1 581 . 58 LEU N N 120.898 0.03 1 582 . 59 LEU H H 8.706 0.015 1 583 . 59 LEU HA H 4.151 0.015 1 584 . 59 LEU HB2 H 2.429 0.015 2 585 . 59 LEU HB3 H 2.056 0.015 2 586 . 59 LEU HG H 1.5150 0.015 1 587 . 59 LEU HD1 H 0.566 0.015 1 588 . 59 LEU HD2 H 1.030 0.015 1 589 . 59 LEU C C 178.562 0.06 1 590 . 59 LEU CA C 58.749 0.06 1 591 . 59 LEU CB C 43.182 0.06 1 592 . 59 LEU CG C 27.0140 0.06 1 593 . 59 LEU CD1 C 24.418 0.06 1 594 . 59 LEU CD2 C 27.511 0.06 1 595 . 59 LEU N N 119.868 0.03 1 596 . 60 GLN H H 8.166 0.015 1 597 . 60 GLN HA H 4.204 0.015 1 598 . 60 GLN HB2 H 2.270 0.015 1 599 . 60 GLN HB3 H 2.270 0.015 1 600 . 60 GLN HG2 H 2.643 0.015 1 601 . 60 GLN HG3 H 2.643 0.015 1 602 . 60 GLN C C 177.217 0.06 1 603 . 60 GLN CA C 57.852 0.06 1 604 . 60 GLN CB C 28.681 0.06 1 605 . 60 GLN CG C 34.558 0.06 1 606 . 60 GLN N N 113.661 0.03 1 607 . 61 TYR H H 8.070 0.015 1 608 . 61 TYR HA H 4.391 0.015 1 609 . 61 TYR HB2 H 3.383 0.015 2 610 . 61 TYR HB3 H 2.993 0.015 2 611 . 61 TYR HD1 H 7.053 0.015 1 612 . 61 TYR HD2 H 7.053 0.015 1 613 . 61 TYR HE1 H 6.782 0.015 1 614 . 61 TYR HE2 H 6.782 0.015 1 615 . 61 TYR C C 177.548 0.06 1 616 . 61 TYR CA C 60.463 0.06 1 617 . 61 TYR CB C 40.381 0.06 1 618 . 61 TYR CD1 C 133.038 0.06 1 619 . 61 TYR CD2 C 133.038 0.06 1 620 . 61 TYR CE1 C 118.402 0.06 1 621 . 61 TYR CE2 C 118.402 0.06 1 622 . 61 TYR N N 118.572 0.03 1 623 . 62 LEU H H 8.172 0.015 1 624 . 62 LEU HA H 4.337 0.015 1 625 . 62 LEU HB2 H 2.269 0.015 2 626 . 62 LEU HB3 H 1.917 0.015 2 627 . 62 LEU HG H 2.302 0.015 1 628 . 62 LEU HD1 H 0.893 0.015 1 629 . 62 LEU HD2 H 0.912 0.015 1 630 . 62 LEU C C 178.536 0.06 1 631 . 62 LEU CA C 56.594 0.06 1 632 . 62 LEU CB C 45.708 0.06 1 633 . 62 LEU CG C 26.768 0.06 1 634 . 62 LEU CD1 C 26.186 0.06 1 635 . 62 LEU CD2 C 22.826 0.06 1 636 . 62 LEU N N 114.170 0.03 1 637 . 63 CYS H H 8.078 0.015 1 638 . 63 CYS HA H 4.930 0.015 1 639 . 63 CYS HB2 H 3.108 0.015 2 640 . 63 CYS HB3 H 2.981 0.015 2 641 . 63 CYS C C 173.894 0.06 1 642 . 63 CYS CA C 58.173 0.06 1 643 . 63 CYS CB C 31.771 0.06 1 644 . 63 CYS N N 114.869 0.03 1 645 . 64 SER H H 8.950 0.015 1 646 . 64 SER HA H 4.539 0.015 1 647 . 64 SER HB2 H 4.484 0.015 2 648 . 64 SER HB3 H 4.190 0.015 2 649 . 64 SER C C 174.754 0.06 1 650 . 64 SER CA C 57.228 0.06 1 651 . 64 SER CB C 64.773 0.06 1 652 . 64 SER N N 117.914 0.03 1 653 . 65 SER H H 9.034 0.015 1 654 . 65 SER HA H 4.270 0.015 1 655 . 65 SER HB2 H 4.054 0.015 1 656 . 65 SER HB3 H 4.054 0.015 1 657 . 65 SER C C 177.551 0.06 1 658 . 65 SER CA C 61.834 0.06 1 659 . 65 SER CB C 62.692 0.06 1 660 . 65 SER N N 116.836 0.03 1 661 . 66 LEU H H 8.150 0.015 1 662 . 66 LEU HA H 4.260 0.015 1 663 . 66 LEU HB2 H 1.758 0.015 2 664 . 66 LEU HG H 1.640 0.015 1 665 . 66 LEU HD1 H 1.015 0.015 1 666 . 66 LEU HD2 H 0.987 0.015 1 667 . 66 LEU C C 179.058 0.06 1 668 . 66 LEU CA C 58.307 0.06 1 669 . 66 LEU CB C 42.095 0.06 1 670 . 66 LEU CG C 27.294 0.06 1 671 . 66 LEU CD1 C 23.878 0.06 1 672 . 66 LEU CD2 C 25.098 0.06 1 673 . 66 LEU N N 122.807 0.03 1 674 . 67 VAL H H 7.552 0.015 1 675 . 67 VAL HA H 3.551 0.015 1 676 . 67 VAL HB H 2.218 0.015 1 677 . 67 VAL HG1 H 1.136 0.015 1 678 . 67 VAL HG2 H 1.051 0.015 1 679 . 67 VAL C C 177.805 0.06 1 680 . 67 VAL CA C 67.071 0.06 1 681 . 67 VAL CB C 31.817 0.06 1 682 . 67 VAL CG1 C 24.145 0.06 1 683 . 67 VAL CG2 C 22.199 0.06 1 684 . 67 VAL N N 120.450 0.03 1 685 . 68 ALA H H 8.877 0.015 1 686 . 68 ALA HA H 4.017 0.015 1 687 . 68 ALA HB H 1.479 0.015 1 688 . 68 ALA C C 179.947 0.06 1 689 . 68 ALA CA C 55.582 0.06 1 690 . 68 ALA CB C 17.679 0.06 1 691 . 68 ALA N N 121.226 0.03 1 692 . 69 SER H H 8.061 0.015 1 693 . 69 SER HA H 4.393 0.015 1 694 . 69 SER HB2 H 4.143 0.015 1 695 . 69 SER HB3 H 4.143 0.015 1 696 . 69 SER C C 177.388 0.06 1 697 . 69 SER CA C 61.885 0.06 1 698 . 69 SER CB C 62.865 0.06 1 699 . 69 SER N N 114.039 0.03 1 700 . 70 LEU H H 8.033 0.015 1 701 . 70 LEU HA H 4.165 0.015 1 702 . 70 LEU HB2 H 1.999 0.015 2 703 . 70 LEU HB3 H 1.473 0.015 2 704 . 70 LEU HG H 1.961 0.015 1 705 . 70 LEU HD1 H 0.939 0.015 1 706 . 70 LEU HD2 H 0.930 0.015 1 707 . 70 LEU C C 179.891 0.06 1 708 . 70 LEU CA C 57.916 0.06 1 709 . 70 LEU CB C 42.055 0.06 1 710 . 70 LEU CG C 26.645 0.06 1 711 . 70 LEU CD1 C 25.558 0.06 1 712 . 70 LEU CD2 C 22.538 0.06 1 713 . 70 LEU N N 123.621 0.03 1 714 . 71 HIS H H 8.791 0.015 1 715 . 71 HIS HA H 3.518 0.015 1 716 . 71 HIS HB2 H 3.080 0.015 2 717 . 71 HIS HB3 H 2.494 0.015 2 718 . 71 HIS HE1 H 6.655 0.015 1 719 . 71 HIS C C 176.852 0.06 1 720 . 71 HIS CA C 62.023 0.06 1 721 . 71 HIS CB C 31.016 0.06 1 722 . 71 HIS CE1 C 136.237 0.06 1 723 . 71 HIS N N 121.332 0.03 1 724 . 72 HIS H H 8.456 0.015 1 725 . 72 HIS HA H 4.299 0.015 1 726 . 72 HIS HB2 H 3.611 0.015 2 727 . 72 HIS HB3 H 3.470 0.015 2 728 . 72 HIS HD2 H 7.352 0.015 1 729 . 72 HIS HE1 H 8.414 0.015 1 730 . 72 HIS C C 177.425 0.06 1 731 . 72 HIS CA C 59.284 0.06 1 732 . 72 HIS CB C 29.361 0.06 1 733 . 72 HIS CD2 C 120.039 0.06 1 734 . 72 HIS CE1 C 136.945 0.06 1 735 . 72 HIS N N 116.953 0.03 1 736 . 73 GLN H H 7.862 0.015 1 737 . 73 GLN HA H 4.142 0.015 1 738 . 73 GLN HB2 H 2.249 0.015 1 739 . 73 GLN HB3 H 2.249 0.015 1 740 . 73 GLN HG2 H 2.647 0.015 2 741 . 73 GLN HG3 H 2.471 0.015 2 742 . 73 GLN C C 179.116 0.06 1 743 . 73 GLN CA C 58.800 0.06 1 744 . 73 GLN CB C 28.620 0.06 1 745 . 73 GLN CG C 34.058 0.06 1 746 . 73 GLN N N 117.105 0.03 1 747 . 74 GLN H H 7.835 0.015 1 748 . 74 GLN HA H 4.202 0.015 1 749 . 74 GLN HB2 H 2.036 0.015 2 750 . 74 GLN HB3 H 1.891 0.015 2 751 . 74 GLN HG2 H 2.653 0.015 2 752 . 74 GLN HG3 H 2.089 0.015 2 753 . 74 GLN HE21 H 7.185 0.015 2 754 . 74 GLN HE22 H 6.8770 0.015 2 755 . 74 GLN C C 178.439 0.06 1 756 . 74 GLN CA C 57.621 0.06 1 757 . 74 GLN CB C 27.382 0.06 1 758 . 74 GLN CG C 32.843 0.06 1 759 . 74 GLN N N 119.574 0.03 1 760 . 74 GLN NE2 N 110.879 0.03 1 761 . 75 LEU H H 9.131 0.015 1 762 . 75 LEU HA H 3.858 0.015 1 763 . 75 LEU HB2 H 1.911 0.015 2 764 . 75 LEU HG H 1.177 0.015 1 765 . 75 LEU HD1 H 0.711 0.015 1 766 . 75 LEU HD2 H 0.836 0.015 1 767 . 75 LEU C C 178.046 0.06 1 768 . 75 LEU CA C 57.903 0.06 1 769 . 75 LEU CB C 40.693 0.06 1 770 . 75 LEU CG C 27.439 0.06 1 771 . 75 LEU CD1 C 23.495 0.06 1 772 . 75 LEU CD2 C 26.031 0.06 1 773 . 75 LEU N N 122.453 0.03 1 774 . 76 ASP H H 8.361 0.015 1 775 . 76 ASP HA H 4.442 0.015 1 776 . 76 ASP HB2 H 2.759 0.015 2 777 . 76 ASP HB3 H 2.637 0.015 2 778 . 76 ASP C C 179.933 0.06 1 779 . 76 ASP CA C 57.853 0.06 1 780 . 76 ASP CB C 39.943 0.06 1 781 . 76 ASP N N 119.118 0.03 1 782 . 77 SER H H 7.388 0.015 1 783 . 77 SER HA H 4.345 0.015 1 784 . 77 SER HB2 H 4.033 0.015 1 785 . 77 SER HB3 H 4.033 0.015 1 786 . 77 SER C C 177.134 0.06 1 787 . 77 SER CA C 61.796 0.06 1 788 . 77 SER CB C 62.696 0.06 1 789 . 77 SER N N 115.540 0.03 1 790 . 78 LEU H H 8.326 0.015 1 791 . 78 LEU HA H 4.137 0.015 1 792 . 78 LEU HB2 H 2.024 0.015 2 793 . 78 LEU HB3 H 1.466 0.015 2 794 . 78 LEU HG H 1.8430 0.015 1 795 . 78 LEU HD1 H 0.821 0.015 1 796 . 78 LEU HD2 H 0.879 0.015 1 797 . 78 LEU C C 180.856 0.06 1 798 . 78 LEU CA C 58.065 0.06 1 799 . 78 LEU CB C 42.360 0.06 1 800 . 78 LEU CG C 26.842 0.06 1 801 . 78 LEU CD1 C 26.007 0.06 1 802 . 78 LEU CD2 C 22.505 0.06 1 803 . 78 LEU N N 122.963 0.03 1 804 . 79 ILE H H 9.131 0.015 1 805 . 79 ILE HA H 3.597 0.015 1 806 . 79 ILE HB H 2.010 0.015 1 807 . 79 ILE HG2 H 1.005 0.015 1 808 . 79 ILE HD1 H 1.083 0.015 1 809 . 79 ILE C C 174.584 0.06 1 810 . 79 ILE CA C 66.258 0.06 1 811 . 79 ILE CB C 38.051 0.06 1 812 . 79 ILE CG2 C 17.663 0.06 1 813 . 79 ILE CD1 C 14.703 0.06 1 814 . 79 ILE N N 121.458 0.03 1 815 . 80 SER H H 7.925 0.015 1 816 . 80 SER HA H 4.399 0.015 1 817 . 80 SER HB2 H 4.117 0.015 1 818 . 80 SER HB3 H 4.117 0.015 1 819 . 80 SER C C 177.903 0.06 1 820 . 80 SER CA C 61.865 0.06 1 821 . 80 SER CB C 62.857 0.06 1 822 . 80 SER N N 114.888 0.03 1 823 . 81 GLU H H 7.905 0.015 1 824 . 81 GLU HA H 4.148 0.015 1 825 . 81 GLU HB2 H 2.160 0.015 1 826 . 81 GLU HB3 H 2.160 0.015 1 827 . 81 GLU HG2 H 2.463 0.015 2 828 . 81 GLU HG3 H 2.276 0.015 2 829 . 81 GLU C C 178.941 0.06 1 830 . 81 GLU CA C 59.383 0.06 1 831 . 81 GLU CB C 29.683 0.06 1 832 . 81 GLU CG C 36.368 0.06 1 833 . 81 GLU N N 120.901 0.03 1 834 . 82 ALA H H 8.323 0.015 1 835 . 82 ALA HA H 4.104 0.015 1 836 . 82 ALA HB H 1.527 0.015 1 837 . 82 ALA C C 180.106 0.06 1 838 . 82 ALA CA C 55.242 0.06 1 839 . 82 ALA CB C 18.230 0.06 1 840 . 82 ALA N N 123.904 0.03 1 841 . 83 GLU H H 8.929 0.015 1 842 . 83 GLU HA H 3.940 0.015 1 843 . 83 GLU HB2 H 2.404 0.015 2 844 . 83 GLU HB3 H 2.192 0.015 2 845 . 83 GLU HG2 H 2.694 0.015 2 846 . 83 GLU HG3 H 2.206 0.015 2 847 . 83 GLU C C 179.649 0.06 1 848 . 83 GLU CA C 59.568 0.06 1 849 . 83 GLU CB C 29.909 0.06 1 850 . 83 GLU CG C 37.597 0.06 1 851 . 83 GLU N N 116.994 0.03 1 852 . 84 THR H H 7.766 0.015 1 853 . 84 THR HA H 4.128 0.015 1 854 . 84 THR HB H 4.402 0.015 1 855 . 84 THR HG2 H 1.369 0.015 1 856 . 84 THR C C 175.931 0.06 1 857 . 84 THR CA C 65.789 0.06 1 858 . 84 THR CB C 68.911 0.06 1 859 . 84 THR CG2 C 21.695 0.06 1 860 . 84 THR N N 114.305 0.03 1 861 . 85 ARG H H 7.741 0.015 1 862 . 85 ARG HA H 4.297 0.015 1 863 . 85 ARG HB2 H 2.008 0.015 1 864 . 85 ARG HB3 H 2.008 0.015 1 865 . 85 ARG HG2 H 1.865 0.015 1 866 . 85 ARG HG3 H 1.865 0.015 1 867 . 85 ARG C C 177.321 0.06 1 868 . 85 ARG CA C 58.184 0.06 1 869 . 85 ARG CB C 30.711 0.06 1 870 . 85 ARG CG C 27.477 0.06 1 871 . 85 ARG N N 120.902 0.03 1 872 . 86 GLY H H 8.032 0.015 1 873 . 86 GLY HA2 H 3.741 0.015 2 874 . 86 GLY HA3 H 4.490 0.015 2 875 . 86 GLY C C 173.197 0.06 1 876 . 86 GLY CA C 44.916 0.06 1 877 . 86 GLY N N 109.592 0.03 1 878 . 87 ILE H H 8.773 0.015 1 879 . 87 ILE HA H 4.324 0.015 1 880 . 87 ILE HB H 1.706 0.015 1 881 . 87 ILE HG12 H 1.5710 0.015 2 882 . 87 ILE HG13 H 0.8960 0.015 2 883 . 87 ILE HG2 H 0.810 0.015 1 884 . 87 ILE HD1 H 0.610 0.015 1 885 . 87 ILE C C 176.403 0.06 1 886 . 87 ILE CA C 60.305 0.06 1 887 . 87 ILE CB C 40.599 0.06 1 888 . 87 ILE CG1 C 27.1410 0.06 1 889 . 87 ILE CG2 C 17.119 0.06 1 890 . 87 ILE CD1 C 14.319 0.06 1 891 . 87 ILE N N 126.364 0.03 1 892 . 88 THR H H 8.841 0.015 1 893 . 88 THR HA H 3.986 0.015 1 894 . 88 THR HB H 4.071 0.015 1 895 . 88 THR HG2 H 1.283 0.015 1 896 . 88 THR C C 175.295 0.06 1 897 . 88 THR CA C 65.107 0.06 1 898 . 88 THR CB C 68.777 0.06 1 899 . 88 THR CG2 C 21.737 0.06 1 900 . 88 THR N N 126.601 0.03 1 901 . 89 GLY H H 8.961 0.015 1 902 . 89 GLY HA2 H 3.813 0.015 2 903 . 89 GLY HA3 H 4.238 0.015 2 904 . 89 GLY C C 174.255 0.06 1 905 . 89 GLY CA C 45.408 0.06 1 906 . 89 GLY N N 113.808 0.03 1 907 . 90 TYR H H 7.988 0.015 1 908 . 90 TYR HA H 4.735 0.015 1 909 . 90 TYR HB2 H 3.308 0.015 2 910 . 90 TYR HB3 H 2.696 0.015 2 911 . 90 TYR HD1 H 7.116 0.015 1 912 . 90 TYR HD2 H 7.116 0.015 1 913 . 90 TYR HE1 H 6.918 0.015 1 914 . 90 TYR HE2 H 6.918 0.015 1 915 . 90 TYR C C 173.455 0.06 1 916 . 90 TYR CA C 56.303 0.06 1 917 . 90 TYR CB C 39.175 0.06 1 918 . 90 TYR CD1 C 132.575 0.06 1 919 . 90 TYR CD2 C 132.575 0.06 1 920 . 90 TYR CE1 C 118.722 0.06 1 921 . 90 TYR CE2 C 118.722 0.06 1 922 . 90 TYR N N 120.758 0.03 1 923 . 91 ASN H H 9.001 0.015 1 924 . 91 ASN HA H 5.038 0.015 1 925 . 91 ASN HB2 H 3.122 0.015 2 926 . 91 ASN HB3 H 2.753 0.015 2 927 . 91 ASN HD21 H 7.740 0.015 2 928 . 91 ASN HD22 H 6.914 0.015 2 929 . 91 ASN C C 175.062 0.06 1 930 . 91 ASN CA C 48.473 0.06 1 931 . 91 ASN CB C 39.181 0.06 1 932 . 91 ASN N N 128.580 0.03 1 933 . 91 ASN ND2 N 111.466 0.03 1 934 . 92 PRO HA H 3.995 0.015 1 935 . 92 PRO HB2 H 2.357 0.015 2 936 . 92 PRO HB3 H 1.965 0.015 2 937 . 92 PRO HG2 H 1.976 0.015 1 938 . 92 PRO HG3 H 1.976 0.015 1 939 . 92 PRO HD2 H 3.887 0.015 2 940 . 92 PRO HD3 H 3.433 0.015 2 941 . 92 PRO C C 178.539 0.06 1 942 . 92 PRO CA C 63.615 0.06 1 943 . 92 PRO CB C 32.012 0.06 1 944 . 92 PRO CG C 26.963 0.06 1 945 . 92 PRO CD C 51.129 0.06 1 946 . 93 LEU H H 7.656 0.015 1 947 . 93 LEU HA H 4.169 0.015 1 948 . 93 LEU HB2 H 1.713 0.015 2 949 . 93 LEU HB3 H 1.571 0.015 2 950 . 93 LEU HG H 1.697 0.015 1 951 . 93 LEU HD1 H 0.985 0.015 1 952 . 93 LEU HD2 H 0.913 0.015 1 953 . 93 LEU C C 178.338 0.06 1 954 . 93 LEU CA C 56.429 0.06 1 955 . 93 LEU CB C 40.794 0.06 1 956 . 93 LEU CG C 27.370 0.06 1 957 . 93 LEU CD1 C 25.010 0.06 1 958 . 93 LEU CD2 C 22.732 0.06 1 959 . 93 LEU N N 117.824 0.03 1 960 . 94 ALA H H 7.498 0.015 1 961 . 94 ALA HA H 4.444 0.015 1 962 . 94 ALA HB H 1.452 0.015 1 963 . 94 ALA C C 176.582 0.06 1 964 . 94 ALA CA C 51.742 0.06 1 965 . 94 ALA CB C 18.031 0.06 1 966 . 94 ALA N N 119.690 0.03 1 967 . 95 GLY H H 7.298 0.015 1 968 . 95 GLY HA2 H 3.993 0.015 2 969 . 95 GLY HA3 H 4.609 0.015 2 970 . 95 GLY C C 174.962 0.06 1 971 . 95 GLY CA C 43.841 0.06 1 972 . 95 GLY N N 106.997 0.03 1 973 . 96 PRO HA H 4.894 0.015 1 974 . 96 PRO HB2 H 2.755 0.015 2 975 . 96 PRO HB3 H 2.038 0.015 2 976 . 96 PRO HG2 H 2.188 0.015 1 977 . 96 PRO HG3 H 2.188 0.015 1 978 . 96 PRO HD2 H 3.891 0.015 2 979 . 96 PRO HD3 H 3.549 0.015 2 980 . 96 PRO C C 178.036 0.06 1 981 . 96 PRO CA C 63.194 0.06 1 982 . 96 PRO CB C 32.944 0.06 1 983 . 96 PRO CG C 27.649 0.06 1 984 . 96 PRO CD C 49.935 0.06 1 985 . 97 LEU H H 8.870 0.015 1 986 . 97 LEU HA H 3.897 0.015 1 987 . 97 LEU HB2 H 1.851 0.015 1 988 . 97 LEU HB3 H 1.851 0.015 1 989 . 97 LEU HG H 0.974 0.015 1 990 . 97 LEU HD1 H 0.747 0.015 1 991 . 97 LEU HD2 H 0.847 0.015 1 992 . 97 LEU C C 177.635 0.06 1 993 . 97 LEU CA C 59.516 0.06 1 994 . 97 LEU CB C 40.982 0.06 1 995 . 97 LEU CG C 27.144 0.06 1 996 . 97 LEU CD1 C 24.285 0.06 1 997 . 97 LEU CD2 C 26.434 0.06 1 998 . 97 LEU N N 127.089 0.03 1 999 . 98 ARG H H 9.037 0.015 1 1000 . 98 ARG HA H 3.374 0.015 1 1001 . 98 ARG HB2 H 1.740 0.015 1 1002 . 98 ARG HB3 H 1.740 0.015 1 1003 . 98 ARG HG2 H 1.615 0.015 1 1004 . 98 ARG HG3 H 1.615 0.015 1 1005 . 98 ARG HD2 H 3.343 0.015 1 1006 . 98 ARG HD3 H 3.343 0.015 1 1007 . 98 ARG C C 175.850 0.06 1 1008 . 98 ARG CA C 59.189 0.06 1 1009 . 98 ARG CB C 30.182 0.06 1 1010 . 98 ARG CG C 28.050 0.06 1 1011 . 98 ARG CD C 43.533 0.06 1 1012 . 98 ARG N N 113.951 0.03 1 1013 . 99 VAL H H 6.827 0.015 1 1014 . 99 VAL HA H 3.907 0.015 1 1015 . 99 VAL HB H 2.150 0.015 1 1016 . 99 VAL HG1 H 1.071 0.015 1 1017 . 99 VAL HG2 H 1.096 0.015 1 1018 . 99 VAL C C 180.083 0.06 1 1019 . 99 VAL CA C 64.730 0.06 1 1020 . 99 VAL CB C 32.732 0.06 1 1021 . 99 VAL CG1 C 20.935 0.06 1 1022 . 99 VAL CG2 C 22.439 0.06 1 1023 . 99 VAL N N 115.445 0.03 1 1024 . 100 GLN H H 8.159 0.015 1 1025 . 100 GLN HA H 4.201 0.015 1 1026 . 100 GLN HB2 H 2.436 0.015 2 1027 . 100 GLN HB3 H 2.108 0.015 2 1028 . 100 GLN HG2 H 2.419 0.015 1 1029 . 100 GLN HG3 H 2.419 0.015 1 1030 . 100 GLN C C 177.953 0.06 1 1031 . 100 GLN CA C 60.655 0.06 1 1032 . 100 GLN CB C 29.623 0.06 1 1033 . 100 GLN CG C 34.888 0.06 1 1034 . 100 GLN N N 121.225 0.03 1 1035 . 101 ALA H H 8.297 0.015 1 1036 . 101 ALA HA H 3.934 0.015 1 1037 . 101 ALA HB H 1.141 0.015 1 1038 . 101 ALA C C 177.764 0.06 1 1039 . 101 ALA CA C 53.673 0.06 1 1040 . 101 ALA CB C 18.533 0.06 1 1041 . 101 ALA N N 116.949 0.03 1 1042 . 102 ASN H H 7.470 0.015 1 1043 . 102 ASN HA H 4.884 0.015 1 1044 . 102 ASN HB2 H 3.080 0.015 1 1045 . 102 ASN HB3 H 3.080 0.015 1 1046 . 102 ASN HD21 H 7.579 0.015 2 1047 . 102 ASN HD22 H 6.708 0.015 2 1048 . 102 ASN C C 175.449 0.06 1 1049 . 102 ASN CA C 52.815 0.06 1 1050 . 102 ASN CB C 39.115 0.06 1 1051 . 102 ASN N N 115.701 0.03 1 1052 . 102 ASN ND2 N 112.485 0.03 1 1053 . 103 ASN H H 7.828 0.015 1 1054 . 103 ASN HA H 5.038 0.015 1 1055 . 103 ASN HB2 H 3.370 0.015 2 1056 . 103 ASN HB3 H 3.095 0.015 2 1057 . 103 ASN HD21 H 7.993 0.015 2 1058 . 103 ASN HD22 H 7.268 0.015 2 1059 . 103 ASN C C 176.654 0.06 1 1060 . 103 ASN CA C 51.078 0.06 1 1061 . 103 ASN CB C 38.807 0.06 1 1062 . 103 ASN N N 122.164 0.03 1 1063 . 103 ASN ND2 N 113.317 0.03 1 1064 . 104 PRO HA H 4.326 0.015 1 1065 . 104 PRO HB2 H 2.525 0.015 2 1066 . 104 PRO HB3 H 2.114 0.015 2 1067 . 104 PRO HG2 H 2.176 0.015 1 1068 . 104 PRO HG3 H 2.176 0.015 1 1069 . 104 PRO HD2 H 4.251 0.015 2 1070 . 104 PRO HD3 H 4.001 0.015 2 1071 . 104 PRO C C 177.683 0.06 1 1072 . 104 PRO CA C 65.039 0.06 1 1073 . 104 PRO CB C 32.389 0.06 1 1074 . 104 PRO CG C 27.459 0.06 1 1075 . 104 PRO CD C 51.648 0.06 1 1076 . 105 GLN H H 8.275 0.015 1 1077 . 105 GLN HA H 4.477 0.015 1 1078 . 105 GLN HB2 H 2.390 0.015 2 1079 . 105 GLN HB3 H 2.086 0.015 2 1080 . 105 GLN HG2 H 2.527 0.015 1 1081 . 105 GLN HG3 H 2.527 0.015 1 1082 . 105 GLN C C 177.391 0.06 1 1083 . 105 GLN CA C 56.549 0.06 1 1084 . 105 GLN CB C 28.935 0.06 1 1085 . 105 GLN CG C 34.501 0.06 1 1086 . 105 GLN N N 114.044 0.03 1 1087 . 106 GLN H H 7.727 0.015 1 1088 . 106 GLN HA H 4.918 0.015 1 1089 . 106 GLN HB2 H 2.349 0.015 2 1090 . 106 GLN HB3 H 2.260 0.015 2 1091 . 106 GLN HG2 H 2.626 0.015 2 1092 . 106 GLN HG3 H 2.274 0.015 2 1093 . 106 GLN HE21 H 7.364 0.015 2 1094 . 106 GLN HE22 H 7.007 0.015 2 1095 . 106 GLN C C 175.663 0.06 1 1096 . 106 GLN CA C 53.413 0.06 1 1097 . 106 GLN CB C 26.571 0.06 1 1098 . 106 GLN CG C 32.329 0.06 1 1099 . 106 GLN N N 120.060 0.03 1 1100 . 106 GLN NE2 N 110.933 0.03 1 1101 . 107 GLN H H 7.894 0.015 1 1102 . 107 GLN HA H 3.902 0.015 1 1103 . 107 GLN HB2 H 2.275 0.015 1 1104 . 107 GLN HB3 H 2.275 0.015 1 1105 . 107 GLN HG2 H 2.370 0.015 1 1106 . 107 GLN HG3 H 2.370 0.015 1 1107 . 107 GLN C C 177.888 0.06 1 1108 . 107 GLN CA C 59.909 0.06 1 1109 . 107 GLN CB C 29.228 0.06 1 1110 . 107 GLN CG C 34.100 0.06 1 1111 . 107 GLN N N 120.903 0.03 1 1112 . 108 GLY H H 8.617 0.015 1 1113 . 108 GLY HA2 H 3.879 0.015 2 1114 . 108 GLY HA3 H 4.036 0.015 2 1115 . 108 GLY C C 177.221 0.06 1 1116 . 108 GLY CA C 47.196 0.06 1 1117 . 108 GLY N N 106.692 0.03 1 1118 . 109 LEU H H 7.947 0.015 1 1119 . 109 LEU HA H 4.172 0.015 1 1120 . 109 LEU HB2 H 1.879 0.015 2 1121 . 109 LEU HB3 H 1.358 0.015 2 1122 . 109 LEU HG H 1.902 0.015 1 1123 . 109 LEU HD1 H 0.973 0.015 1 1124 . 109 LEU HD2 H 0.808 0.015 1 1125 . 109 LEU C C 179.097 0.06 1 1126 . 109 LEU CA C 57.371 0.06 1 1127 . 109 LEU CB C 40.684 0.06 1 1128 . 109 LEU CG C 26.650 0.06 1 1129 . 109 LEU CD1 C 27.170 0.06 1 1130 . 109 LEU CD2 C 23.142 0.06 1 1131 . 109 LEU N N 121.201 0.03 1 1132 . 110 ARG H H 8.333 0.015 1 1133 . 110 ARG HA H 4.084 0.015 1 1134 . 110 ARG HB2 H 2.122 0.015 1 1135 . 110 ARG HB3 H 2.122 0.015 1 1136 . 110 ARG HG2 H 1.822 0.015 1 1137 . 110 ARG HG3 H 1.822 0.015 1 1138 . 110 ARG HD2 H 3.202 0.015 2 1139 . 110 ARG HD3 H 3.160 0.015 2 1140 . 110 ARG C C 178.892 0.06 1 1141 . 110 ARG CA C 60.650 0.06 1 1142 . 110 ARG CB C 29.289 0.06 1 1143 . 110 ARG CG C 27.902 0.06 1 1144 . 110 ARG CD C 43.009 0.06 1 1145 . 110 ARG N N 120.579 0.03 1 1146 . 111 ARG H H 8.207 0.015 1 1147 . 111 ARG HA H 4.175 0.015 1 1148 . 111 ARG HB2 H 2.035 0.015 1 1149 . 111 ARG HB3 H 2.035 0.015 1 1150 . 111 ARG HG2 H 1.986 0.015 1 1151 . 111 ARG HG3 H 1.986 0.015 1 1152 . 111 ARG C C 179.488 0.06 1 1153 . 111 ARG CA C 58.412 0.06 1 1154 . 111 ARG CB C 28.996 0.06 1 1155 . 111 ARG CG C 27.757 0.06 1 1156 . 111 ARG N N 119.080 0.03 1 1157 . 112 GLU H H 8.097 0.015 1 1158 . 112 GLU HA H 4.192 0.015 1 1159 . 112 GLU HB2 H 2.217 0.015 2 1160 . 112 GLU HB3 H 2.083 0.015 2 1161 . 112 GLU HG2 H 2.467 0.015 2 1162 . 112 GLU HG3 H 2.297 0.015 2 1163 . 112 GLU C C 179.314 0.06 1 1164 . 112 GLU CA C 59.223 0.06 1 1165 . 112 GLU CB C 28.518 0.06 1 1166 . 112 GLU CG C 34.824 0.06 1 1167 . 112 GLU N N 120.148 0.03 1 1168 . 113 TYR H H 8.678 0.015 1 1169 . 113 TYR HA H 3.866 0.015 1 1170 . 113 TYR HB2 H 3.288 0.015 2 1171 . 113 TYR HB3 H 2.780 0.015 2 1172 . 113 TYR HD1 H 6.823 0.015 1 1173 . 113 TYR HD2 H 6.823 0.015 1 1174 . 113 TYR HE1 H 6.739 0.015 1 1175 . 113 TYR HE2 H 6.739 0.015 1 1176 . 113 TYR C C 177.296 0.06 1 1177 . 113 TYR CA C 63.260 0.06 1 1178 . 113 TYR CB C 38.819 0.06 1 1179 . 113 TYR CD1 C 132.256 0.06 1 1180 . 113 TYR CD2 C 132.256 0.06 1 1181 . 113 TYR CE1 C 117.323 0.06 1 1182 . 113 TYR CE2 C 117.323 0.06 1 1183 . 113 TYR N N 119.784 0.03 1 1184 . 114 GLN H H 8.510 0.015 1 1185 . 114 GLN HA H 3.848 0.015 1 1186 . 114 GLN HB2 H 1.861 0.015 1 1187 . 114 GLN HB3 H 1.861 0.015 1 1188 . 114 GLN HG2 H 2.711 0.015 1 1189 . 114 GLN HG3 H 2.711 0.015 1 1190 . 114 GLN C C 178.534 0.06 1 1191 . 114 GLN CA C 59.199 0.06 1 1192 . 114 GLN CB C 28.031 0.06 1 1193 . 114 GLN CG C 34.197 0.06 1 1194 . 114 GLN N N 116.965 0.03 1 1195 . 115 GLN H H 7.747 0.015 1 1196 . 115 GLN HA H 4.168 0.015 1 1197 . 115 GLN HB2 H 2.336 0.015 1 1198 . 115 GLN HB3 H 2.336 0.015 1 1199 . 115 GLN HG2 H 2.647 0.015 1 1200 . 115 GLN HG3 H 2.647 0.015 1 1201 . 115 GLN C C 179.829 0.06 1 1202 . 115 GLN CA C 58.970 0.06 1 1203 . 115 GLN CB C 28.276 0.06 1 1204 . 115 GLN CG C 34.061 0.06 1 1205 . 115 GLN N N 114.784 0.03 1 1206 . 116 LEU H H 7.891 0.015 1 1207 . 116 LEU HA H 4.086 0.015 1 1208 . 116 LEU HB2 H 1.773 0.015 1 1209 . 116 LEU HB3 H 1.773 0.015 1 1210 . 116 LEU HG H 1.9281 0.015 1 1211 . 116 LEU HD1 H 0.719 0.015 1 1212 . 116 LEU HD2 H 0.786 0.015 1 1213 . 116 LEU C C 177.198 0.06 1 1214 . 116 LEU CA C 58.147 0.06 1 1215 . 116 LEU CB C 41.620 0.06 1 1216 . 116 LEU CG C 26.5338 0.06 1 1217 . 116 LEU CD1 C 26.255 0.06 1 1218 . 116 LEU CD2 C 23.302 0.06 1 1219 . 116 LEU N N 122.297 0.03 1 1220 . 117 TRP H H 8.917 0.015 1 1221 . 117 TRP HA H 3.859 0.015 1 1222 . 117 TRP HB2 H 3.590 0.015 1 1223 . 117 TRP HB3 H 3.590 0.015 1 1224 . 117 TRP HD1 H 7.275 0.015 1 1225 . 117 TRP HE1 H 9.500 0.015 1 1226 . 117 TRP HE3 H 7.651 0.015 1 1227 . 117 TRP HZ2 H 7.557 0.015 1 1228 . 117 TRP HZ3 H 7.008 0.015 1 1229 . 117 TRP HH2 H 6.985 0.015 1 1230 . 117 TRP C C 179.563 0.06 1 1231 . 117 TRP CA C 62.661 0.06 1 1232 . 117 TRP CB C 29.309 0.06 1 1233 . 117 TRP CD1 C 127.410 0.06 1 1234 . 117 TRP CE3 C 120.977 0.06 1 1235 . 117 TRP CZ2 C 115.633 0.06 1 1236 . 117 TRP CZ3 C 122.520 0.06 1 1237 . 117 TRP CH2 C 123.632 0.06 1 1238 . 117 TRP N N 121.227 0.03 1 1239 . 117 TRP NE1 N 129.287 0.03 1 1240 . 118 LEU H H 8.642 0.015 1 1241 . 118 LEU HA H 4.396 0.015 1 1242 . 118 LEU HB2 H 2.300 0.015 2 1243 . 118 LEU HB3 H 1.589 0.015 2 1244 . 118 LEU HG H 2.454 0.015 1 1245 . 118 LEU HD1 H 1.163 0.015 1 1246 . 118 LEU HD2 H 1.203 0.015 1 1247 . 118 LEU C C 179.783 0.06 1 1248 . 118 LEU CA C 58.174 0.06 1 1249 . 118 LEU CB C 42.995 0.06 1 1250 . 118 LEU CG C 27.736 0.06 1 1251 . 118 LEU CD1 C 26.506 0.06 1 1252 . 118 LEU CD2 C 24.859 0.06 1 1253 . 118 LEU N N 118.722 0.03 1 1254 . 119 ALA H H 8.166 0.015 1 1255 . 119 ALA HA H 4.192 0.015 1 1256 . 119 ALA HB H 1.595 0.015 1 1257 . 119 ALA C C 180.769 0.06 1 1258 . 119 ALA CA C 54.591 0.06 1 1259 . 119 ALA CB C 18.059 0.06 1 1260 . 119 ALA N N 122.966 0.03 1 1261 . 120 ALA H H 7.934 0.015 1 1262 . 120 ALA HA H 3.751 0.015 1 1263 . 120 ALA HB H 0.604 0.015 1 1264 . 120 ALA C C 177.936 0.06 1 1265 . 120 ALA CA C 54.302 0.06 1 1266 . 120 ALA CB C 16.508 0.06 1 1267 . 120 ALA N N 120.708 0.03 1 1268 . 121 PHE H H 7.234 0.015 1 1269 . 121 PHE HA H 4.074 0.015 1 1270 . 121 PHE HB2 H 3.164 0.015 1 1271 . 121 PHE HB3 H 3.164 0.015 1 1272 . 121 PHE HD1 H 6.295 0.015 1 1273 . 121 PHE HD2 H 6.295 0.015 1 1274 . 121 PHE HE1 H 6.325 0.015 1 1275 . 121 PHE HE2 H 6.325 0.015 1 1276 . 121 PHE HZ H 6.579 0.015 1 1277 . 121 PHE C C 177.411 0.06 1 1278 . 121 PHE CA C 62.256 0.06 1 1279 . 121 PHE CB C 40.028 0.06 1 1280 . 121 PHE CD1 C 131.314 0.06 1 1281 . 121 PHE CD2 C 131.314 0.06 1 1282 . 121 PHE CE1 C 131.824 0.06 1 1283 . 121 PHE CE2 C 131.824 0.06 1 1284 . 121 PHE CZ C 129.550 0.06 1 1285 . 121 PHE N N 111.839 0.03 1 1286 . 122 ALA H H 7.683 0.015 1 1287 . 122 ALA HA H 4.358 0.015 1 1288 . 122 ALA HB H 1.584 0.015 1 1289 . 122 ALA C C 177.783 0.06 1 1290 . 122 ALA CA C 53.994 0.06 1 1291 . 122 ALA CB C 18.432 0.06 1 1292 . 122 ALA N N 120.276 0.03 1 1293 . 123 ALA H H 7.283 0.015 1 1294 . 123 ALA HA H 4.387 0.015 1 1295 . 123 ALA HB H 1.355 0.015 1 1296 . 123 ALA C C 177.527 0.06 1 1297 . 123 ALA CA C 51.754 0.06 1 1298 . 123 ALA CB C 19.227 0.06 1 1299 . 123 ALA N N 117.710 0.03 1 1300 . 124 LEU H H 7.394 0.015 1 1301 . 124 LEU HA H 4.403 0.015 1 1302 . 124 LEU HB2 H 1.886 0.015 2 1303 . 124 LEU HB3 H 1.588 0.015 2 1304 . 124 LEU HG H 1.970 0.015 1 1305 . 124 LEU HD1 H 0.947 0.015 1 1306 . 124 LEU HD2 H 0.875 0.015 1 1307 . 124 LEU C C 175.759 0.06 1 1308 . 124 LEU CA C 54.186 0.06 1 1309 . 124 LEU CB C 40.170 0.06 1 1310 . 124 LEU CG C 27.208 0.06 1 1311 . 124 LEU CD1 C 26.573 0.06 1 1312 . 124 LEU CD2 C 23.803 0.06 1 1313 . 124 LEU N N 119.477 0.03 1 1314 . 125 PRO HA H 4.476 0.015 1 1315 . 125 PRO HB2 H 2.349 0.015 2 1316 . 125 PRO HB3 H 1.992 0.015 2 1317 . 125 PRO HG2 H 2.095 0.015 1 1318 . 125 PRO HG3 H 2.095 0.015 1 1319 . 125 PRO HD2 H 3.936 0.015 2 1320 . 125 PRO HD3 H 3.631 0.015 2 1321 . 125 PRO C C 177.791 0.06 1 1322 . 125 PRO CA C 64.025 0.06 1 1323 . 125 PRO CB C 31.740 0.06 1 1324 . 125 PRO CG C 27.641 0.06 1 1325 . 125 PRO CD C 50.407 0.06 1 1326 . 126 GLY H H 8.590 0.015 1 1327 . 126 GLY HA2 H 3.959 0.015 2 1328 . 126 GLY C C 177.509 0.06 1 1329 . 126 GLY CA C 45.615 0.06 1 1330 . 126 GLY N N 108.475 0.03 1 1331 . 127 SER H H 7.956 0.015 1 1332 . 127 SER HA H 4.401 0.015 1 1333 . 127 SER HB2 H 3.976 0.015 2 1334 . 127 SER HB3 H 3.931 0.015 2 1335 . 127 SER C C 174.754 0.06 1 1336 . 127 SER CA C 58.476 0.06 1 1337 . 127 SER CB C 64.081 0.06 1 1338 . 127 SER N N 114.878 0.03 1 1339 . 128 ALA H H 8.187 0.015 1 1340 . 128 ALA HA H 4.386 0.015 1 1341 . 128 ALA HB H 1.464 0.015 1 1342 . 128 ALA C C 177.395 0.06 1 1343 . 128 ALA CA C 52.662 0.06 1 1344 . 128 ALA CB C 19.355 0.06 1 1345 . 128 ALA N N 124.733 0.03 1 1346 . 129 LYS H H 8.080 0.015 1 1347 . 129 LYS HA H 4.328 0.015 1 1348 . 129 LYS HB2 H 1.881 0.015 2 1349 . 129 LYS HB3 H 1.744 0.015 2 1350 . 129 LYS HG2 H 1.472 0.015 1 1351 . 129 LYS HG3 H 1.472 0.015 1 1352 . 129 LYS HD2 H 1.714 0.015 1 1353 . 129 LYS HD3 H 1.714 0.015 1 1354 . 129 LYS C C 176.002 0.06 1 1355 . 129 LYS CA C 55.856 0.06 1 1356 . 129 LYS CB C 32.963 0.06 1 1357 . 129 LYS CG C 24.682 0.06 1 1358 . 129 LYS CD C 29.184 0.06 1 1359 . 129 LYS N N 119.194 0.03 1 1360 . 130 ASP H H 7.917 0.015 1 1361 . 130 ASP HA H 4.725 0.015 1 1362 . 130 ASP HB2 H 2.426 0.015 1 1363 . 130 ASP HB3 H 2.426 0.015 1 1364 . 130 ASP C C 174.464 0.06 1 1365 . 130 ASP CA C 52.459 0.06 1 1366 . 130 ASP CB C 41.046 0.06 1 1367 . 130 ASP N N 121.780 0.03 1 1368 . 131 PRO HA H 4.265 0.015 1 1369 . 131 PRO HB2 H 1.849 0.015 2 1370 . 131 PRO HB3 H 0.885 0.015 2 1371 . 131 PRO HG2 H 1.862 0.015 2 1372 . 131 PRO HG3 H 1.538 0.015 2 1373 . 131 PRO HD2 H 3.741 0.015 2 1374 . 131 PRO HD3 H 3.470 0.015 2 1375 . 131 PRO C C 178.350 0.06 1 1376 . 131 PRO CA C 62.684 0.06 1 1377 . 131 PRO CB C 31.478 0.06 1 1378 . 131 PRO CG C 27.250 0.06 1 1379 . 131 PRO CD C 50.321 0.06 1 1380 . 132 SER H H 8.661 0.015 1 1381 . 132 SER HA H 4.101 0.015 1 1382 . 132 SER HB2 H 3.920 0.015 1 1383 . 132 SER HB3 H 3.920 0.015 1 1384 . 132 SER C C 176.300 0.06 1 1385 . 132 SER CA C 60.601 0.06 1 1386 . 132 SER CB C 63.157 0.06 1 1387 . 132 SER N N 117.973 0.03 1 1388 . 133 TRP H H 7.036 0.015 1 1389 . 133 TRP HA H 4.497 0.015 1 1390 . 133 TRP HB2 H 3.185 0.015 1 1391 . 133 TRP HB3 H 3.185 0.015 1 1392 . 133 TRP HD1 H 7.205 0.015 1 1393 . 133 TRP HE1 H 10.440 0.015 1 1394 . 133 TRP HE3 H 7.306 0.015 1 1395 . 133 TRP HZ2 H 7.480 0.015 1 1396 . 133 TRP HZ3 H 7.016 0.015 1 1397 . 133 TRP HH2 H 7.173 0.015 1 1398 . 133 TRP C C 176.243 0.06 1 1399 . 133 TRP CA C 57.168 0.06 1 1400 . 133 TRP CB C 28.209 0.06 1 1401 . 133 TRP CD1 C 127.423 0.06 1 1402 . 133 TRP CE3 C 120.708 0.06 1 1403 . 133 TRP CZ2 C 114.741 0.06 1 1404 . 133 TRP CZ3 C 121.906 0.06 1 1405 . 133 TRP CH2 C 124.462 0.06 1 1406 . 133 TRP N N 117.929 0.03 1 1407 . 133 TRP NE1 N 130.745 0.03 1 1408 . 134 ALA H H 7.104 0.015 1 1409 . 134 ALA HA H 4.235 0.015 1 1410 . 134 ALA HB H 1.178 0.015 1 1411 . 134 ALA C C 178.008 0.06 1 1412 . 134 ALA CA C 53.607 0.06 1 1413 . 134 ALA CB C 18.233 0.06 1 1414 . 134 ALA N N 120.321 0.03 1 1415 . 135 SER H H 7.500 0.015 1 1416 . 135 SER HA H 4.467 0.015 1 1417 . 135 SER HB2 H 3.987 0.015 1 1418 . 135 SER HB3 H 3.987 0.015 1 1419 . 135 SER C C 173.911 0.06 1 1420 . 135 SER CA C 57.756 0.06 1 1421 . 135 SER CB C 63.718 0.06 1 1422 . 135 SER N N 109.910 0.03 1 1423 . 136 ILE H H 7.085 0.015 1 1424 . 136 ILE HA H 4.106 0.015 1 1425 . 136 ILE HB H 2.184 0.015 1 1426 . 136 ILE HG12 H 1.629 0.015 2 1427 . 136 ILE HG13 H 1.342 0.015 2 1428 . 136 ILE HG2 H 0.923 0.015 1 1429 . 136 ILE HD1 H 0.894 0.015 1 1430 . 136 ILE C C 173.663 0.06 1 1431 . 136 ILE CA C 61.180 0.06 1 1432 . 136 ILE CB C 36.093 0.06 1 1433 . 136 ILE CG1 C 27.466 0.06 1 1434 . 136 ILE CG2 C 16.798 0.06 1 1435 . 136 ILE CD1 C 13.175 0.06 1 1436 . 136 ILE N N 123.030 0.03 1 1437 . 137 LEU H H 8.081 0.015 1 1438 . 137 LEU HA H 4.951 0.015 1 1439 . 137 LEU HB2 H 1.536 0.015 2 1440 . 137 LEU HG H 1.587 0.015 1 1441 . 137 LEU HD1 H 0.912 0.015 1 1442 . 137 LEU HD2 H 0.859 0.015 1 1443 . 137 LEU C C 176.947 0.06 1 1444 . 137 LEU CA C 53.041 0.06 1 1445 . 137 LEU CB C 44.639 0.06 1 1446 . 137 LEU CG C 27.011 0.06 1 1447 . 137 LEU CD1 C 25.390 0.06 1 1448 . 137 LEU CD2 C 23.260 0.06 1 1449 . 137 LEU N N 128.540 0.03 1 1450 . 138 GLN H H 7.483 0.015 1 1451 . 138 GLN HA H 3.833 0.015 1 1452 . 138 GLN HB2 H -0.216 0.015 1 1453 . 138 GLN HB3 H -0.216 0.015 1 1454 . 138 GLN HG2 H 2.082 0.015 1 1455 . 138 GLN HG3 H 2.082 0.015 1 1456 . 138 GLN HE21 H 8.169 0.015 2 1457 . 138 GLN HE22 H 6.523 0.015 2 1458 . 138 GLN C C 177.478 0.06 1 1459 . 138 GLN CA C 55.711 0.06 1 1460 . 138 GLN CB C 26.799 0.06 1 1461 . 138 GLN N N 125.434 0.03 1 1462 . 138 GLN NE2 N 107.704 0.03 1 1463 . 139 GLY H H 9.778 0.015 1 1464 . 139 GLY HA2 H 4.063 0.015 2 1465 . 139 GLY HA3 H 4.285 0.015 2 1466 . 139 GLY C C 175.831 0.06 1 1467 . 139 GLY CA C 45.353 0.06 1 1468 . 139 GLY N N 115.462 0.03 1 1469 . 140 LEU H H 8.862 0.015 1 1470 . 140 LEU HA H 4.171 0.015 1 1471 . 140 LEU HB2 H 1.920 0.015 2 1472 . 140 LEU HB3 H 1.786 0.015 2 1473 . 140 LEU HG H 1.958 0.015 1 1474 . 140 LEU HD1 H 1.114 0.015 1 1475 . 140 LEU HD2 H 1.086 0.015 1 1476 . 140 LEU C C 177.991 0.06 1 1477 . 140 LEU CA C 58.263 0.06 1 1478 . 140 LEU CB C 42.076 0.06 1 1479 . 140 LEU CG C 27.268 0.06 1 1480 . 140 LEU CD1 C 25.163 0.06 1 1481 . 140 LEU CD2 C 23.617 0.06 1 1482 . 140 LEU N N 123.263 0.03 1 1483 . 141 GLU H H 8.642 0.015 1 1484 . 141 GLU HA H 4.727 0.015 1 1485 . 141 GLU HB2 H 2.354 0.015 2 1486 . 141 GLU HB3 H 1.930 0.015 2 1487 . 141 GLU HG2 H 2.238 0.015 1 1488 . 141 GLU HG3 H 2.238 0.015 1 1489 . 141 GLU C C 175.061 0.06 1 1490 . 141 GLU CA C 54.151 0.06 1 1491 . 141 GLU CB C 29.808 0.06 1 1492 . 141 GLU CG C 36.360 0.06 1 1493 . 141 GLU N N 113.517 0.03 1 1494 . 142 GLU H H 7.034 0.015 1 1495 . 142 GLU HA H 4.755 0.015 1 1496 . 142 GLU HB2 H 2.238 0.015 1 1497 . 142 GLU HB3 H 2.238 0.015 1 1498 . 142 GLU C C 175.460 0.06 1 1499 . 142 GLU CA C 53.089 0.06 1 1500 . 142 GLU CB C 32.013 0.06 1 1501 . 142 GLU N N 125.113 0.03 1 1502 . 143 PRO HA H 4.660 0.015 1 1503 . 143 PRO HB2 H 2.749 0.015 1 1504 . 143 PRO HB3 H 2.749 0.015 1 1505 . 143 PRO HG2 H 2.246 0.015 1 1506 . 143 PRO HG3 H 2.246 0.015 1 1507 . 143 PRO C C 177.394 0.06 1 1508 . 143 PRO CA C 63.554 0.06 1 1509 . 143 PRO CB C 32.946 0.06 1 1510 . 143 PRO CG C 27.706 0.06 1 1511 . 144 TYR H H 9.003 0.015 1 1512 . 144 TYR HA H 4.547 0.015 1 1513 . 144 TYR HB2 H 3.500 0.015 1 1514 . 144 TYR HB3 H 3.500 0.015 1 1515 . 144 TYR HD1 H 7.335 0.015 1 1516 . 144 TYR HD2 H 7.335 0.015 1 1517 . 144 TYR HE1 H 6.772 0.015 1 1518 . 144 TYR HE2 H 6.772 0.015 1 1519 . 144 TYR C C 177.790 0.06 1 1520 . 144 TYR CA C 63.524 0.06 1 1521 . 144 TYR CB C 38.999 0.06 1 1522 . 144 TYR CD1 C 133.276 0.06 1 1523 . 144 TYR CD2 C 133.276 0.06 1 1524 . 144 TYR CE1 C 117.850 0.06 1 1525 . 144 TYR CE2 C 117.850 0.06 1 1526 . 144 TYR N N 126.377 0.03 1 1527 . 145 HIS H H 9.176 0.015 1 1528 . 145 HIS HA H 4.058 0.015 1 1529 . 145 HIS HB2 H 3.313 0.015 1 1530 . 145 HIS HB3 H 3.313 0.015 1 1531 . 145 HIS HD2 H 7.294 0.015 1 1532 . 145 HIS C C 176.840 0.06 1 1533 . 145 HIS CA C 59.334 0.06 1 1534 . 145 HIS CB C 28.920 0.06 1 1535 . 145 HIS CD2 C 120.249 0.06 1 1536 . 145 HIS CE1 C 138.3670 0.06 1 1537 . 145 HIS N N 114.195 0.03 1 1538 . 146 ALA H H 6.442 0.015 1 1539 . 146 ALA HA H 4.174 0.015 1 1540 . 146 ALA HB H 1.527 0.015 1 1541 . 146 ALA C C 179.675 0.06 1 1542 . 146 ALA CA C 54.269 0.06 1 1543 . 146 ALA CB C 18.216 0.06 1 1544 . 146 ALA N N 123.152 0.03 1 1545 . 147 PHE H H 7.461 0.015 1 1546 . 147 PHE HA H 4.537 0.015 1 1547 . 147 PHE HB2 H 3.422 0.015 1 1548 . 147 PHE HB3 H 3.422 0.015 1 1549 . 147 PHE HD1 H 6.850 0.015 1 1550 . 147 PHE HD2 H 6.850 0.015 1 1551 . 147 PHE C C 176.077 0.06 1 1552 . 147 PHE CA C 59.058 0.06 1 1553 . 147 PHE CB C 38.977 0.06 1 1554 . 147 PHE CD1 C 133.698 0.06 1 1555 . 147 PHE CD2 C 133.698 0.06 1 1556 . 147 PHE N N 123.092 0.03 1 1557 . 148 VAL H H 7.970 0.015 1 1558 . 148 VAL HA H 2.700 0.015 1 1559 . 148 VAL HB H 1.751 0.015 1 1560 . 148 VAL HG1 H 0.788 0.015 1 1561 . 148 VAL HG2 H 0.351 0.015 1 1562 . 148 VAL C C 177.939 0.06 1 1563 . 148 VAL CA C 66.790 0.06 1 1564 . 148 VAL CB C 30.947 0.06 1 1565 . 148 VAL CG1 C 22.441 0.06 1 1566 . 148 VAL CG2 C 23.903 0.06 1 1567 . 148 VAL N N 120.517 0.03 1 1568 . 149 GLU H H 7.802 0.015 1 1569 . 149 GLU HA H 4.114 0.015 1 1570 . 149 GLU HB2 H 2.192 0.015 1 1571 . 149 GLU HB3 H 2.192 0.015 1 1572 . 149 GLU HG2 H 2.365 0.015 1 1573 . 149 GLU HG3 H 2.365 0.015 1 1574 . 149 GLU C C 178.722 0.06 1 1575 . 149 GLU CA C 59.550 0.06 1 1576 . 149 GLU CB C 29.246 0.06 1 1577 . 149 GLU CG C 36.094 0.06 1 1578 . 149 GLU N N 119.758 0.03 1 1579 . 150 ARG H H 7.741 0.015 1 1580 . 150 ARG HA H 4.080 0.015 1 1581 . 150 ARG HB2 H 2.238 0.015 2 1582 . 150 ARG HB3 H 1.785 0.015 2 1583 . 150 ARG HG2 H 2.125 0.015 2 1584 . 150 ARG HG3 H 1.595 0.015 2 1585 . 150 ARG C C 180.334 0.06 1 1586 . 150 ARG CA C 60.732 0.06 1 1587 . 150 ARG CB C 30.375 0.06 1 1588 . 150 ARG CG C 29.239 0.06 1 1589 . 150 ARG N N 118.947 0.03 1 1590 . 151 LEU H H 8.082 0.015 1 1591 . 151 LEU HA H 3.912 0.015 1 1592 . 151 LEU HB2 H 1.578 0.015 2 1593 . 151 LEU HB3 H 1.160 0.015 2 1594 . 151 LEU HG H 1.220 0.015 1 1595 . 151 LEU HD1 H 0.533 0.015 1 1596 . 151 LEU HD2 H 0.785 0.015 1 1597 . 151 LEU C C 177.867 0.06 1 1598 . 151 LEU CA C 57.869 0.06 1 1599 . 151 LEU CB C 43.015 0.06 1 1600 . 151 LEU CG C 26.246 0.06 1 1601 . 151 LEU CD1 C 25.012 0.06 1 1602 . 151 LEU CD2 C 25.044 0.06 1 1603 . 151 LEU N N 121.443 0.03 1 1604 . 152 ASN H H 8.490 0.015 1 1605 . 152 ASN HA H 4.086 0.015 1 1606 . 152 ASN HB2 H 2.963 0.015 2 1607 . 152 ASN HB3 H 2.636 0.015 2 1608 . 152 ASN HD21 H 7.536 0.015 2 1609 . 152 ASN HD22 H 6.860 0.015 2 1610 . 152 ASN C C 176.966 0.06 1 1611 . 152 ASN CA C 57.713 0.06 1 1612 . 152 ASN CB C 39.611 0.06 1 1613 . 152 ASN N N 117.480 0.03 1 1614 . 152 ASN ND2 N 114.473 0.03 1 1615 . 153 ILE H H 7.961 0.015 1 1616 . 153 ILE HA H 3.832 0.015 1 1617 . 153 ILE HB H 1.863 0.015 1 1618 . 153 ILE HG12 H 1.811 0.015 2 1619 . 153 ILE HG13 H 1.260 0.015 2 1620 . 153 ILE HG2 H 0.987 0.015 1 1621 . 153 ILE HD1 H 0.933 0.015 1 1622 . 153 ILE C C 178.542 0.06 1 1623 . 153 ILE CA C 64.468 0.06 1 1624 . 153 ILE CB C 38.693 0.06 1 1625 . 153 ILE CG1 C 29.331 0.06 1 1626 . 153 ILE CG2 C 17.296 0.06 1 1627 . 153 ILE CD1 C 13.473 0.06 1 1628 . 154 ALA H H 7.703 0.015 1 1629 . 154 ALA HA H 4.271 0.015 1 1630 . 154 ALA HB H 1.656 0.015 1 1631 . 154 ALA C C 181.8500 0.06 1 1632 . 154 ALA CA C 55.050 0.06 1 1633 . 154 ALA CB C 18.899 0.06 1 1634 . 154 ALA N N 122.007 0.03 1 1635 . 155 LEU H H 8.421 0.015 1 1636 . 155 LEU HA H 3.829 0.015 1 1637 . 155 LEU HB2 H 1.859 0.015 2 1638 . 155 LEU HB3 H 1.084 0.015 2 1639 . 155 LEU HG H 1.713 0.015 1 1640 . 155 LEU HD1 H 0.640 0.015 1 1641 . 155 LEU HD2 H -0.018 0.015 1 1642 . 155 LEU C C 178.872 0.06 1 1643 . 155 LEU CA C 57.518 0.06 1 1644 . 155 LEU CB C 41.369 0.06 1 1645 . 155 LEU CG C 28.975 0.06 1 1646 . 155 LEU CD1 C 26.997 0.06 1 1647 . 155 LEU CD2 C 22.443 0.06 1 1648 . 155 LEU N N 119.483 0.03 1 1649 . 156 ASP H H 8.404 0.015 1 1650 . 156 ASP HA H 4.445 0.015 1 1651 . 156 ASP HB2 H 2.843 0.015 2 1652 . 156 ASP HB3 H 2.642 0.015 2 1653 . 156 ASP C C 178.714 0.06 1 1654 . 156 ASP CA C 57.432 0.06 1 1655 . 156 ASP CB C 39.971 0.06 1 1656 . 156 ASP N N 120.563 0.03 1 1657 . 157 ASN H H 7.783 0.015 1 1658 . 157 ASN HA H 4.808 0.015 1 1659 . 157 ASN HB2 H 2.890 0.015 1 1660 . 157 ASN HB3 H 2.890 0.015 1 1661 . 157 ASN HD21 H 7.629 0.015 2 1662 . 157 ASN HD22 H 7.011 0.015 2 1663 . 157 ASN C C 176.643 0.06 1 1664 . 157 ASN CA C 54.378 0.06 1 1665 . 157 ASN CB C 39.705 0.06 1 1666 . 157 ASN N N 114.124 0.03 1 1667 . 157 ASN ND2 N 113.161 0.03 1 1668 . 158 GLY H H 7.945 0.015 1 1669 . 158 GLY HA2 H 3.933 0.015 2 1670 . 158 GLY HA3 H 4.629 0.015 2 1671 . 158 GLY C C 174.257 0.06 1 1672 . 158 GLY CA C 46.025 0.06 1 1673 . 158 GLY N N 106.010 0.03 1 1674 . 159 LEU H H 8.283 0.015 1 1675 . 159 LEU HA H 4.754 0.015 1 1676 . 159 LEU HB2 H 1.757 0.015 2 1677 . 159 LEU HB3 H 1.374 0.015 2 1678 . 159 LEU HG H 1.608 0.015 1 1679 . 159 LEU HD1 H 0.693 0.015 1 1680 . 159 LEU HD2 H 0.645 0.015 1 1681 . 159 LEU C C 175.476 0.06 1 1682 . 159 LEU CA C 53.297 0.06 1 1683 . 159 LEU CB C 42.186 0.06 1 1684 . 159 LEU CG C 26.637 0.06 1 1685 . 159 LEU CD1 C 25.891 0.06 1 1686 . 159 LEU CD2 C 23.675 0.06 1 1687 . 159 LEU N N 123.091 0.03 1 1688 . 160 PRO HA H 4.541 0.015 1 1689 . 160 PRO HB2 H 2.437 0.015 2 1690 . 160 PRO HB3 H 1.965 0.015 2 1691 . 160 PRO HG2 H 2.176 0.015 1 1692 . 160 PRO HG3 H 2.176 0.015 1 1693 . 160 PRO HD2 H 4.172 0.015 2 1694 . 160 PRO HD3 H 3.615 0.015 2 1695 . 160 PRO C C 177.455 0.06 1 1696 . 160 PRO CA C 62.639 0.06 1 1697 . 160 PRO CB C 32.064 0.06 1 1698 . 160 PRO CG C 27.717 0.06 1 1699 . 160 PRO CD C 50.787 0.06 1 1700 . 161 GLU H H 8.747 0.015 1 1701 . 161 GLU HA H 4.142 0.015 1 1702 . 161 GLU HB2 H 2.030 0.015 1 1703 . 161 GLU HB3 H 2.030 0.015 1 1704 . 161 GLU HG2 H 2.365 0.015 1 1705 . 161 GLU HG3 H 2.365 0.015 1 1706 . 161 GLU C C 177.755 0.06 1 1707 . 161 GLU CA C 58.208 0.06 1 1708 . 161 GLU CB C 29.620 0.06 1 1709 . 161 GLU CG C 36.179 0.06 1 1710 . 161 GLU N N 124.067 0.03 1 1711 . 162 GLY H H 8.885 0.015 1 1712 . 162 GLY HA2 H 3.787 0.015 2 1713 . 162 GLY HA3 H 4.297 0.015 2 1714 . 162 GLY C C 174.854 0.06 1 1715 . 162 GLY CA C 45.065 0.06 1 1716 . 162 GLY N N 112.430 0.03 1 1717 . 163 THR H H 7.702 0.015 1 1718 . 163 THR HA H 4.578 0.015 1 1719 . 163 THR HB H 4.050 0.015 1 1720 . 163 THR HG2 H 1.275 0.015 1 1721 . 163 THR C C 172.473 0.06 1 1722 . 163 THR CA C 61.073 0.06 1 1723 . 163 THR CB C 70.054 0.06 1 1724 . 163 THR CG2 C 21.488 0.06 1 1725 . 163 THR N N 119.220 0.03 1 1726 . 164 PRO HA H 4.423 0.015 1 1727 . 164 PRO HB2 H 2.367 0.015 2 1728 . 164 PRO HB3 H 1.941 0.015 2 1729 . 164 PRO HG2 H 2.225 0.015 2 1730 . 164 PRO HG3 H 2.137 0.015 2 1731 . 164 PRO HD2 H 4.202 0.015 2 1732 . 164 PRO HD3 H 3.793 0.015 2 1733 . 164 PRO C C 176.494 0.06 1 1734 . 164 PRO CA C 63.027 0.06 1 1735 . 164 PRO CB C 31.811 0.06 1 1736 . 164 PRO CG C 27.781 0.06 1 1737 . 164 PRO CD C 51.371 0.06 1 1738 . 165 LYS H H 8.292 0.015 1 1739 . 165 LYS HA H 3.909 0.015 1 1740 . 165 LYS HB2 H 1.775 0.015 1 1741 . 165 LYS HB3 H 1.775 0.015 1 1742 . 165 LYS HG2 H 1.386 0.015 2 1743 . 165 LYS HG3 H 1.234 0.015 2 1744 . 165 LYS HD2 H 1.710 0.015 1 1745 . 165 LYS HD3 H 1.710 0.015 1 1746 . 165 LYS HE2 H 2.985 0.015 1 1747 . 165 LYS HE3 H 2.985 0.015 1 1748 . 165 LYS C C 178.331 0.06 1 1749 . 165 LYS CA C 58.749 0.06 1 1750 . 165 LYS CB C 33.231 0.06 1 1751 . 165 LYS CG C 25.813 0.06 1 1752 . 165 LYS CD C 28.976 0.06 1 1753 . 165 LYS CE C 41.700 0.06 1 1754 . 165 LYS N N 124.239 0.03 1 1755 . 166 ASP H H 8.542 0.015 1 1756 . 166 ASP HA H 4.452 0.015 1 1757 . 166 ASP HB2 H 2.779 0.015 1 1758 . 166 ASP HB3 H 2.779 0.015 1 1759 . 166 ASP C C 174.564 0.06 1 1760 . 166 ASP CA C 59.834 0.06 1 1761 . 166 ASP CB C 39.392 0.06 1 1762 . 166 ASP N N 118.149 0.03 1 1763 . 167 PRO HA H 4.304 0.015 1 1764 . 167 PRO HB2 H 2.367 0.015 2 1765 . 167 PRO HB3 H 1.872 0.015 2 1766 . 167 PRO HG2 H 2.037 0.015 1 1767 . 167 PRO HG3 H 2.037 0.015 1 1768 . 167 PRO HD2 H 3.727 0.015 2 1769 . 167 PRO HD3 H 3.609 0.015 2 1770 . 167 PRO C C 179.631 0.06 1 1771 . 167 PRO CA C 66.015 0.06 1 1772 . 167 PRO CB C 31.186 0.06 1 1773 . 167 PRO CG C 28.368 0.06 1 1774 . 167 PRO CD C 49.848 0.06 1 1775 . 168 ILE H H 6.831 0.015 1 1776 . 168 ILE HA H 3.851 0.015 1 1777 . 168 ILE HB H 1.798 0.015 1 1778 . 168 ILE HG12 H 1.7080 0.015 2 1779 . 168 ILE HG13 H 1.1090 0.015 2 1780 . 168 ILE HG2 H 0.811 0.015 1 1781 . 168 ILE HD1 H 0.863 0.015 1 1782 . 168 ILE C C 177.158 0.06 1 1783 . 168 ILE CA C 64.083 0.06 1 1784 . 168 ILE CB C 38.517 0.06 1 1785 . 168 ILE CG1 C 28.9820 0.06 1 1786 . 168 ILE CG2 C 18.505 0.06 1 1787 . 168 ILE CD1 C 13.970 0.06 1 1788 . 168 ILE N N 117.794 0.03 1 1789 . 169 LEU H H 8.405 0.015 1 1790 . 169 LEU HA H 3.794 0.015 1 1791 . 169 LEU HB2 H 1.955 0.015 2 1792 . 169 LEU HB3 H 1.285 0.015 2 1793 . 169 LEU HG H 1.491 0.015 1 1794 . 169 LEU HD1 H 0.795 0.015 1 1795 . 169 LEU HD2 H 0.873 0.015 1 1796 . 169 LEU C C 177.782 0.06 1 1797 . 169 LEU CA C 58.601 0.06 1 1798 . 169 LEU CB C 42.130 0.06 1 1799 . 169 LEU CG C 27.050 0.06 1 1800 . 169 LEU CD1 C 23.755 0.06 1 1801 . 169 LEU CD2 C 26.757 0.06 1 1802 . 169 LEU N N 121.551 0.03 1 1803 . 170 ARG H H 8.182 0.015 1 1804 . 170 ARG HA H 3.864 0.015 1 1805 . 170 ARG HB2 H 1.878 0.015 1 1806 . 170 ARG HB3 H 1.878 0.015 1 1807 . 170 ARG HG2 H 1.866 0.015 2 1808 . 170 ARG HG3 H 1.700 0.015 2 1809 . 170 ARG HD2 H 3.366 0.015 2 1810 . 170 ARG HD3 H 3.184 0.015 2 1811 . 170 ARG C C 178.455 0.06 1 1812 . 170 ARG CA C 60.063 0.06 1 1813 . 170 ARG CB C 30.765 0.06 1 1814 . 170 ARG CG C 28.346 0.06 1 1815 . 170 ARG CD C 44.185 0.06 1 1816 . 170 ARG N N 114.407 0.03 1 1817 . 171 SER H H 7.314 0.015 1 1818 . 171 SER HA H 4.476 0.015 1 1819 . 171 SER HB2 H 4.176 0.015 1 1820 . 171 SER HB3 H 4.176 0.015 1 1821 . 171 SER C C 178.667 0.06 1 1822 . 171 SER CA C 61.641 0.06 1 1823 . 171 SER CB C 63.450 0.06 1 1824 . 171 SER N N 111.847 0.03 1 1825 . 172 LEU H H 8.619 0.015 1 1826 . 172 LEU HA H 4.540 0.015 1 1827 . 172 LEU HB2 H 1.925 0.015 2 1828 . 172 LEU HB3 H 1.562 0.015 2 1829 . 172 LEU HG H 1.995 0.015 1 1830 . 172 LEU HD1 H 0.973 0.015 1 1831 . 172 LEU HD2 H 1.057 0.015 1 1832 . 172 LEU C C 178.885 0.06 1 1833 . 172 LEU CA C 57.432 0.06 1 1834 . 172 LEU CB C 43.363 0.06 1 1835 . 172 LEU CG C 27.278 0.06 1 1836 . 172 LEU CD1 C 27.518 0.06 1 1837 . 172 LEU CD2 C 22.531 0.06 1 1838 . 172 LEU N N 122.329 0.03 1 1839 . 173 ALA H H 8.634 0.015 1 1840 . 173 ALA HA H 4.123 0.015 1 1841 . 173 ALA HB H 1.471 0.015 1 1842 . 173 ALA C C 178.312 0.06 1 1843 . 173 ALA CA C 54.311 0.06 1 1844 . 173 ALA CB C 17.160 0.06 1 1845 . 173 ALA N N 120.579 0.03 1 1846 . 174 TYR H H 7.428 0.015 1 1847 . 174 TYR HA H 4.913 0.015 1 1848 . 174 TYR HB2 H 3.261 0.015 1 1849 . 174 TYR HB3 H 3.261 0.015 1 1850 . 174 TYR HD1 H 7.219 0.015 1 1851 . 174 TYR HD2 H 7.219 0.015 1 1852 . 174 TYR HE1 H 6.875 0.015 1 1853 . 174 TYR HE2 H 6.875 0.015 1 1854 . 174 TYR C C 177.351 0.06 1 1855 . 174 TYR CA C 59.611 0.06 1 1856 . 174 TYR CB C 40.200 0.06 1 1857 . 174 TYR CD1 C 132.857 0.06 1 1858 . 174 TYR CD2 C 132.857 0.06 1 1859 . 174 TYR CE1 C 118.236 0.06 1 1860 . 174 TYR CE2 C 118.236 0.06 1 1861 . 174 TYR N N 115.905 0.03 1 1862 . 175 SER H H 9.083 0.015 1 1863 . 175 SER HA H 3.734 0.015 1 1864 . 175 SER HB2 H 4.107 0.015 1 1865 . 175 SER HB3 H 4.107 0.015 1 1866 . 175 SER C C 175.175 0.06 1 1867 . 175 SER CA C 62.248 0.06 1 1868 . 175 SER CB C 63.449 0.06 1 1869 . 175 SER N N 114.880 0.03 1 1870 . 176 ASN H H 8.880 0.015 1 1871 . 176 ASN HA H 4.799 0.015 1 1872 . 176 ASN HB2 H 3.444 0.015 1 1873 . 176 ASN HB3 H 3.444 0.015 1 1874 . 176 ASN C C 174.603 0.06 1 1875 . 176 ASN CA C 52.093 0.06 1 1876 . 176 ASN CB C 36.065 0.06 1 1877 . 176 ASN N N 120.138 0.03 1 1878 . 177 ALA H H 7.020 0.015 1 1879 . 177 ALA HA H 3.904 0.015 1 1880 . 177 ALA HB H 1.676 0.015 1 1881 . 177 ALA C C 175.990 0.06 1 1882 . 177 ALA CA C 51.500 0.06 1 1883 . 177 ALA CB C 18.935 0.06 1 1884 . 177 ALA N N 124.084 0.03 1 1885 . 178 ASN H H 8.995 0.015 1 1886 . 178 ASN HA H 4.430 0.015 1 1887 . 178 ASN HB2 H 3.284 0.015 2 1888 . 178 ASN HB3 H 2.247 0.015 2 1889 . 178 ASN C C 175.189 0.06 1 1890 . 178 ASN CA C 51.328 0.06 1 1891 . 178 ASN CB C 36.779 0.06 1 1892 . 178 ASN N N 117.982 0.03 1 1893 . 179 LYS H H 8.322 0.015 1 1894 . 179 LYS HA H 3.898 0.015 1 1895 . 179 LYS HB2 H 1.858 0.015 1 1896 . 179 LYS HB3 H 1.858 0.015 1 1897 . 179 LYS HG2 H 1.567 0.015 1 1898 . 179 LYS HG3 H 1.567 0.015 1 1899 . 179 LYS HD2 H 1.751 0.015 1 1900 . 179 LYS HD3 H 1.751 0.015 1 1901 . 179 LYS HE2 H 3.093 0.015 1 1902 . 179 LYS HE3 H 3.093 0.015 1 1903 . 179 LYS C C 179.529 0.06 1 1904 . 179 LYS CA C 59.418 0.06 1 1905 . 179 LYS CB C 32.067 0.06 1 1906 . 179 LYS CG C 24.937 0.06 1 1907 . 179 LYS CD C 28.981 0.06 1 1908 . 179 LYS CE C 41.970 0.06 1 1909 . 179 LYS N N 117.758 0.03 1 1910 . 180 GLU H H 7.938 0.015 1 1911 . 180 GLU HA H 3.983 0.015 1 1912 . 180 GLU HB2 H 2.001 0.015 2 1913 . 180 GLU HB3 H 1.720 0.015 2 1914 . 180 GLU HG2 H 2.599 0.015 2 1915 . 180 GLU HG3 H 2.392 0.015 2 1916 . 180 GLU C C 180.149 0.06 1 1917 . 180 GLU CA C 59.827 0.06 1 1918 . 180 GLU CB C 28.871 0.06 1 1919 . 180 GLU CG C 37.374 0.06 1 1920 . 180 GLU N N 117.806 0.03 1 1921 . 181 CYS H H 8.253 0.015 1 1922 . 181 CYS HA H 4.121 0.015 1 1923 . 181 CYS HB2 H 2.938 0.015 2 1924 . 181 CYS HB3 H 2.182 0.015 2 1925 . 181 CYS C C 177.146 0.06 1 1926 . 181 CYS CA C 64.468 0.06 1 1927 . 181 CYS CB C 27.373 0.06 1 1928 . 181 CYS N N 117.797 0.03 1 1929 . 182 GLN H H 8.863 0.015 1 1930 . 182 GLN HA H 3.880 0.015 1 1931 . 182 GLN HB2 H 2.144 0.015 2 1932 . 182 GLN HB3 H 1.882 0.015 2 1933 . 182 GLN C C 178.905 0.06 1 1934 . 182 GLN CA C 60.858 0.06 1 1935 . 182 GLN CB C 28.185 0.06 1 1936 . 182 GLN CG C 34.572 0.06 1 1937 . 182 GLN N N 119.777 0.03 1 1938 . 183 LYS H H 7.848 0.015 1 1939 . 183 LYS HA H 4.065 0.015 1 1940 . 183 LYS HB2 H 1.979 0.015 1 1941 . 183 LYS HB3 H 1.979 0.015 1 1942 . 183 LYS HG2 H 1.698 0.015 1 1943 . 183 LYS HG3 H 1.698 0.015 1 1944 . 183 LYS HD2 H 1.756 0.015 1 1945 . 183 LYS HD3 H 1.756 0.015 1 1946 . 183 LYS HE2 H 3.012 0.015 1 1947 . 183 LYS HE3 H 3.012 0.015 1 1948 . 183 LYS C C 179.688 0.06 1 1949 . 183 LYS CA C 59.614 0.06 1 1950 . 183 LYS CB C 31.988 0.06 1 1951 . 183 LYS CG C 25.357 0.06 1 1952 . 183 LYS CD C 29.239 0.06 1 1953 . 183 LYS CE C 42.001 0.06 1 1954 . 183 LYS N N 117.736 0.03 1 1955 . 184 LEU H H 7.477 0.015 1 1956 . 184 LEU HA H 4.157 0.015 1 1957 . 184 LEU HB2 H 1.983 0.015 2 1958 . 184 LEU HB3 H 1.595 0.015 2 1959 . 184 LEU HG H 1.851 0.015 1 1960 . 184 LEU HD1 H 1.117 0.015 1 1961 . 184 LEU HD2 H 1.040 0.015 1 1962 . 184 LEU C C 179.291 0.06 1 1963 . 184 LEU CA C 58.202 0.06 1 1964 . 184 LEU CB C 42.412 0.06 1 1965 . 184 LEU CG C 27.206 0.06 1 1966 . 184 LEU CD1 C 25.920 0.06 1 1967 . 184 LEU CD2 C 24.098 0.06 1 1968 . 184 LEU N N 121.476 0.03 1 1969 . 185 LEU H H 8.267 0.015 1 1970 . 185 LEU HA H 3.814 0.015 1 1971 . 185 LEU HB2 H 1.977 0.015 1 1972 . 185 LEU HB3 H 1.977 0.015 1 1973 . 185 LEU HG H 1.6110 0.015 1 1974 . 185 LEU HD1 H 0.994 0.015 1 1975 . 185 LEU HD2 H 0.956 0.015 1 1976 . 185 LEU C C 179.763 0.06 1 1977 . 185 LEU CA C 58.565 0.06 1 1978 . 185 LEU CB C 42.082 0.06 1 1979 . 185 LEU CG C 27.1340 0.06 1 1980 . 185 LEU CD1 C 26.250 0.06 1 1981 . 185 LEU CD2 C 23.962 0.06 1 1982 . 185 LEU N N 119.412 0.03 1 1983 . 186 GLN H H 8.397 0.015 1 1984 . 186 GLN HA H 4.012 0.015 1 1985 . 186 GLN HB2 H 2.320 0.015 2 1986 . 186 GLN HB3 H 2.207 0.015 2 1987 . 186 GLN HG2 H 2.693 0.015 2 1988 . 186 GLN HG3 H 2.460 0.015 2 1989 . 186 GLN HE21 H 7.386 0.015 2 1990 . 186 GLN HE22 H 6.837 0.015 2 1991 . 186 GLN C C 179.521 0.06 1 1992 . 186 GLN CA C 58.754 0.06 1 1993 . 186 GLN CB C 28.496 0.06 1 1994 . 186 GLN CG C 34.109 0.06 1 1995 . 186 GLN N N 112.737 0.03 1 1996 . 186 GLN NE2 N 110.2160 0.03 1 1997 . 187 ALA H H 8.444 0.015 1 1998 . 187 ALA HA H 4.210 0.015 1 1999 . 187 ALA HB H 1.637 0.015 1 2000 . 187 ALA C C 179.895 0.06 1 2001 . 187 ALA CA C 54.811 0.06 1 2002 . 187 ALA CB C 18.599 0.06 1 2003 . 187 ALA N N 122.589 0.03 1 2004 . 188 ARG H H 7.906 0.015 1 2005 . 188 ARG HA H 4.409 0.015 1 2006 . 188 ARG HB2 H 2.220 0.015 2 2007 . 188 ARG HB3 H 1.821 0.015 2 2008 . 188 ARG HG2 H 1.911 0.015 1 2009 . 188 ARG HG3 H 1.911 0.015 1 2010 . 188 ARG HD2 H 3.332 0.015 1 2011 . 188 ARG HD3 H 3.332 0.015 1 2012 . 188 ARG C C 176.016 0.06 1 2013 . 188 ARG CA C 55.086 0.06 1 2014 . 188 ARG CB C 30.711 0.06 1 2015 . 188 ARG CG C 27.660 0.06 1 2016 . 188 ARG CD C 43.028 0.06 1 2017 . 188 ARG N N 113.258 0.03 1 2018 . 189 GLY H H 7.644 0.015 1 2019 . 189 GLY HA2 H 3.878 0.015 1 2020 . 189 GLY HA3 H 3.878 0.015 1 2021 . 189 GLY C C 175.121 0.06 1 2022 . 189 GLY CA C 46.130 0.06 1 2023 . 189 GLY N N 107.254 0.03 1 2024 . 190 HIS H H 8.358 0.015 1 2025 . 190 HIS HA H 5.390 0.015 1 2026 . 190 HIS HB2 H 3.369 0.015 2 2027 . 190 HIS HB3 H 2.529 0.015 2 2028 . 190 HIS HD2 H 6.736 0.015 1 2029 . 190 HIS HE1 H 7.856 0.015 1 2030 . 190 HIS CA C 55.118 0.06 1 2031 . 190 HIS CB C 31.965 0.06 1 2032 . 190 HIS CD2 C 119.441 0.06 1 2033 . 190 HIS CE1 C 138.112 0.06 1 2034 . 190 HIS N N 116.966 0.03 1 2035 . 191 THR HA H 3.699 0.015 1 2036 . 191 THR HB H 3.561 0.015 1 2037 . 191 THR HG2 H 0.872 0.015 1 2038 . 191 THR C C 174.363 0.06 1 2039 . 191 THR CA C 64.641 0.06 1 2040 . 191 THR CB C 68.414 0.06 1 2041 . 191 THR CG2 C 21.966 0.06 1 2042 . 192 ASN H H 8.229 0.015 1 2043 . 192 ASN HA H 4.946 0.015 1 2044 . 192 ASN HB2 H 2.879 0.015 2 2045 . 192 ASN HB3 H 2.579 0.015 2 2046 . 192 ASN HD21 H 7.515 0.015 2 2047 . 192 ASN HD22 H 6.811 0.015 2 2048 . 192 ASN C C 175.206 0.06 1 2049 . 192 ASN CA C 52.821 0.06 1 2050 . 192 ASN CB C 38.947 0.06 1 2051 . 192 ASN N N 118.189 0.03 1 2052 . 192 ASN ND2 N 111.971 0.03 1 2053 . 193 SER H H 7.329 0.015 1 2054 . 193 SER HA H 4.873 0.015 1 2055 . 193 SER HB2 H 4.261 0.015 2 2056 . 193 SER HB3 H 3.581 0.015 2 2057 . 193 SER C C 170.383 0.06 1 2058 . 193 SER CA C 57.469 0.06 1 2059 . 193 SER CB C 64.090 0.06 1 2060 . 193 SER N N 118.983 0.03 1 2061 . 194 PRO HA H 4.386 0.015 1 2062 . 194 PRO HB2 H 2.427 0.015 2 2063 . 194 PRO HB3 H 1.934 0.015 2 2064 . 194 PRO HG2 H 2.198 0.015 2 2065 . 194 PRO HG3 H 2.042 0.015 2 2066 . 194 PRO HD2 H 3.903 0.015 1 2067 . 194 PRO HD3 H 3.903 0.015 1 2068 . 194 PRO C C 177.504 0.06 1 2069 . 194 PRO CA C 63.043 0.06 1 2070 . 194 PRO CB C 32.157 0.06 1 2071 . 194 PRO CG C 28.325 0.06 1 2072 . 194 PRO CD C 50.483 0.06 1 2073 . 195 LEU H H 8.905 0.015 1 2074 . 195 LEU HA H 4.117 0.015 1 2075 . 195 LEU HB2 H 1.802 0.015 2 2076 . 195 LEU HB3 H 1.557 0.015 2 2077 . 195 LEU HG H 1.7130 0.015 1 2078 . 195 LEU HD1 H 0.939 0.015 1 2079 . 195 LEU HD2 H 0.881 0.015 1 2080 . 195 LEU C C 179.278 0.06 1 2081 . 195 LEU CA C 57.960 0.06 1 2082 . 195 LEU CB C 42.219 0.06 1 2083 . 195 LEU CG C 26.8630 0.06 1 2084 . 195 LEU CD1 C 23.599 0.06 1 2085 . 195 LEU CD2 C 25.702 0.06 1 2086 . 195 LEU N N 124.367 0.03 1 2087 . 196 GLY H H 8.890 0.015 1 2088 . 196 GLY HA2 H 3.809 0.015 2 2089 . 196 GLY HA3 H 4.027 0.015 2 2090 . 196 GLY C C 176.841 0.06 1 2091 . 196 GLY CA C 47.471 0.06 1 2092 . 196 GLY N N 119.956 0.03 1 2093 . 197 ASP H H 7.278 0.015 1 2094 . 197 ASP HA H 4.399 0.015 1 2095 . 197 ASP HB2 H 2.675 0.015 1 2096 . 197 ASP HB3 H 2.675 0.015 1 2097 . 197 ASP C C 178.771 0.06 1 2098 . 197 ASP CA C 56.950 0.06 1 2099 . 197 ASP CB C 40.785 0.06 1 2100 . 197 ASP N N 120.425 0.03 1 2101 . 198 MET H H 7.596 0.015 1 2102 . 198 MET HA H 3.801 0.015 1 2103 . 198 MET HB2 H 2.631 0.015 2 2104 . 198 MET HB3 H 2.540 0.015 2 2105 . 198 MET HE H 2.396 0.015 1 2106 . 198 MET C C 177.753 0.06 1 2107 . 198 MET CA C 60.228 0.06 1 2108 . 198 MET CB C 32.091 0.06 1 2109 . 198 MET CE C 17.117 0.06 1 2110 . 198 MET N N 121.762 0.03 1 2111 . 199 LEU H H 8.621 0.015 1 2112 . 199 LEU HA H 4.234 0.015 1 2113 . 199 LEU HB2 H 2.023 0.015 2 2114 . 199 LEU HB3 H 1.665 0.015 2 2115 . 199 LEU HG H 1.729 0.015 1 2116 . 199 LEU HD1 H 1.010 0.015 1 2117 . 199 LEU HD2 H 0.967 0.015 1 2118 . 199 LEU C C 181.060 0.06 1 2119 . 199 LEU CA C 58.374 0.06 1 2120 . 199 LEU CB C 42.215 0.06 1 2121 . 199 LEU CG C 27.928 0.06 1 2122 . 199 LEU CD1 C 23.810 0.06 1 2123 . 199 LEU CD2 C 26.250 0.06 1 2124 . 199 LEU N N 116.796 0.03 1 2125 . 200 ARG H H 7.770 0.015 1 2126 . 200 ARG HA H 4.110 0.015 1 2127 . 200 ARG HB2 H 2.026 0.015 1 2128 . 200 ARG HB3 H 2.026 0.015 1 2129 . 200 ARG HG2 H 1.866 0.015 1 2130 . 200 ARG HG3 H 1.866 0.015 1 2131 . 200 ARG HD2 H 3.335 0.015 1 2132 . 200 ARG HD3 H 3.335 0.015 1 2133 . 200 ARG C C 179.180 0.06 1 2134 . 200 ARG CA C 59.573 0.06 1 2135 . 200 ARG CB C 30.372 0.06 1 2136 . 200 ARG CG C 28.214 0.06 1 2137 . 200 ARG CD C 43.385 0.06 1 2138 . 200 ARG N N 118.594 0.03 1 2139 . 201 ALA H H 7.916 0.015 1 2140 . 201 ALA HA H 4.245 0.015 1 2141 . 201 ALA HB H 1.583 0.015 1 2142 . 201 ALA C C 179.223 0.06 1 2143 . 201 ALA CA C 54.752 0.06 1 2144 . 201 ALA CB C 18.411 0.06 1 2145 . 201 ALA N N 120.883 0.03 1 2146 . 202 CYS H H 7.091 0.015 1 2147 . 202 CYS HA H 4.657 0.015 1 2148 . 202 CYS HB2 H 3.066 0.015 2 2149 . 202 CYS HB3 H 2.552 0.015 2 2150 . 202 CYS C C 176.497 0.06 1 2151 . 202 CYS CA C 58.887 0.06 1 2152 . 202 CYS CB C 29.210 0.06 1 2153 . 202 CYS N N 110.197 0.03 1 2154 . 203 GLN H H 7.746 0.015 1 2155 . 203 GLN HA H 4.500 0.015 1 2156 . 203 GLN HB2 H 2.532 0.015 2 2157 . 203 GLN HB3 H 2.335 0.015 2 2158 . 203 GLN HG2 H 2.730 0.015 2 2159 . 203 GLN HG3 H 2.546 0.015 2 2160 . 203 GLN C C 176.654 0.06 1 2161 . 203 GLN CA C 58.940 0.06 1 2162 . 203 GLN CB C 28.729 0.06 1 2163 . 203 GLN CG C 33.611 0.06 1 2164 . 203 GLN N N 121.962 0.03 1 2165 . 204 THR H H 7.912 0.015 1 2166 . 204 THR HA H 4.459 0.015 1 2167 . 204 THR HB H 4.597 0.015 1 2168 . 204 THR HG2 H 1.357 0.015 1 2169 . 204 THR C C 174.599 0.06 1 2170 . 204 THR CA C 61.535 0.06 1 2171 . 204 THR CB C 68.916 0.06 1 2172 . 204 THR CG2 C 21.910 0.06 1 2173 . 204 THR N N 107.110 0.03 1 2174 . 205 TRP H H 7.688 0.015 1 2175 . 205 TRP HA H 4.532 0.015 1 2176 . 205 TRP HB2 H 3.468 0.015 2 2177 . 205 TRP HB3 H 3.121 0.015 2 2178 . 205 TRP HD1 H 7.384 0.015 1 2179 . 205 TRP HE1 H 10.339 0.015 1 2180 . 205 TRP HE3 H 7.696 0.015 1 2181 . 205 TRP HZ2 H 7.605 0.015 1 2182 . 205 TRP HZ3 H 7.172 0.015 1 2183 . 205 TRP HH2 H 7.140 0.015 1 2184 . 205 TRP C C 175.843 0.06 1 2185 . 205 TRP CA C 59.456 0.06 1 2186 . 205 TRP CB C 28.251 0.06 1 2187 . 205 TRP CD1 C 126.903 0.06 1 2188 . 205 TRP CE3 C 120.980 0.06 1 2189 . 205 TRP CZ2 C 114.226 0.06 1 2190 . 205 TRP CZ3 C 121.819 0.06 1 2191 . 205 TRP CH2 C 123.585 0.06 1 2192 . 205 TRP N N 124.376 0.03 1 2193 . 205 TRP NE1 N 131.431 0.03 1 2194 . 206 THR H H 7.402 0.015 1 2195 . 206 THR HA H 4.160 0.015 1 2196 . 206 THR HB H 3.947 0.015 1 2197 . 206 THR HG2 H 1.126 0.015 1 2198 . 206 THR C C 174.763 0.06 1 2199 . 206 THR CA C 57.950 0.06 1 2200 . 206 THR CB C 70.370 0.06 1 2201 . 206 THR CG2 C 21.107 0.06 1 2202 . 206 THR N N 122.135 0.03 1 2203 . 207 PRO HA H 4.114 0.015 1 2204 . 207 PRO HB2 H 2.509 0.015 2 2205 . 207 PRO HB3 H 1.898 0.015 2 2206 . 207 PRO HG2 H 1.855 0.015 2 2207 . 207 PRO HG3 H 1.620 0.015 2 2208 . 207 PRO HD2 H 3.510 0.015 2 2209 . 207 PRO HD3 H 2.715 0.015 2 2210 . 207 PRO C C 176.895 0.06 1 2211 . 207 PRO CA C 62.473 0.06 1 2212 . 207 PRO CB C 32.825 0.06 1 2213 . 207 PRO CG C 27.014 0.06 1 2214 . 207 PRO CD C 50.334 0.06 1 2215 . 208 LYS H H 8.468 0.015 1 2216 . 208 LYS HA H 4.225 0.015 1 2217 . 208 LYS HB2 H 1.838 0.015 1 2218 . 208 LYS HB3 H 1.838 0.015 1 2219 . 208 LYS HG2 H 1.504 0.015 1 2220 . 208 LYS HG3 H 1.504 0.015 1 2221 . 208 LYS HD2 H 1.750 0.015 1 2222 . 208 LYS HD3 H 1.750 0.015 1 2223 . 208 LYS HE2 H 3.077 0.015 1 2224 . 208 LYS HE3 H 3.077 0.015 1 2225 . 208 LYS C C 176.547 0.06 1 2226 . 208 LYS CA C 56.584 0.06 1 2227 . 208 LYS CB C 32.967 0.06 1 2228 . 208 LYS CG C 24.792 0.06 1 2229 . 208 LYS CD C 29.138 0.06 1 2230 . 208 LYS CE C 41.921 0.06 1 2231 . 208 LYS N N 121.637 0.03 1 2232 . 209 ASP H H 8.278 0.015 1 2233 . 209 ASP HA H 4.630 0.015 1 2234 . 209 ASP HB2 H 2.704 0.015 1 2235 . 209 ASP HB3 H 2.704 0.015 1 2236 . 209 ASP C C 176.745 0.06 1 2237 . 209 ASP CA C 54.303 0.06 1 2238 . 209 ASP CB C 41.272 0.06 1 2239 . 209 ASP N N 121.170 0.03 1 2240 . 210 LYS H H 8.372 0.015 1 2241 . 210 LYS HA H 4.407 0.015 1 2242 . 210 LYS HB2 H 1.982 0.015 2 2243 . 210 LYS HB3 H 1.840 0.015 2 2244 . 210 LYS HG2 H 1.611 0.015 2 2245 . 210 LYS HG3 H 1.521 0.015 2 2246 . 210 LYS HE2 H 3.023 0.015 1 2247 . 210 LYS HE3 H 3.023 0.015 1 2248 . 210 LYS C C 177.094 0.06 1 2249 . 210 LYS CA C 56.509 0.06 1 2250 . 210 LYS CB C 32.715 0.06 1 2251 . 210 LYS CG C 24.969 0.06 1 2252 . 210 LYS CE C 41.877 0.06 1 2253 . 210 LYS N N 122.512 0.03 1 2254 . 211 THR H H 8.292 0.015 1 2255 . 211 THR HA H 4.310 0.015 1 2256 . 211 THR HB H 4.258 0.015 1 2257 . 211 THR C C 174.755 0.06 1 2258 . 211 THR CA C 62.692 0.06 1 2259 . 211 THR CB C 69.618 0.06 1 2260 . 211 THR N N 114.594 0.03 1 2261 . 212 LYS H H 8.106 0.015 1 2262 . 212 LYS HA H 4.446 0.015 1 2263 . 212 LYS HB2 H 1.909 0.015 2 2264 . 212 LYS HB3 H 1.815 0.015 2 2265 . 212 LYS HG2 H 1.508 0.015 2 2266 . 212 LYS HG3 H 1.438 0.015 2 2267 . 212 LYS HE2 H 3.064 0.015 1 2268 . 212 LYS HE3 H 3.064 0.015 1 2269 . 212 LYS C C 176.147 0.06 1 2270 . 212 LYS CA C 56.089 0.06 1 2271 . 212 LYS CB C 33.230 0.06 1 2272 . 212 LYS CG C 24.790 0.06 1 2273 . 212 LYS CE C 41.999 0.06 1 2274 . 212 LYS N N 123.781 0.03 1 2275 . 213 VAL H H 8.107 0.015 1 2276 . 213 VAL HA H 4.169 0.015 1 2277 . 213 VAL HB H 2.150 0.015 1 2278 . 213 VAL HG1 H 1.008 0.015 1 2279 . 213 VAL HG2 H 0.997 0.015 1 2280 . 213 VAL C C 175.197 0.06 1 2281 . 213 VAL CA C 62.434 0.06 1 2282 . 213 VAL CB C 32.760 0.06 1 2283 . 213 VAL CG1 C 21.352 0.06 1 2284 . 213 VAL CG2 C 20.576 0.06 1 2285 . 213 VAL N N 122.231 0.03 1 2286 . 214 LEU H H 7.839 0.015 1 2287 . 214 LEU HA H 4.268 0.015 1 2288 . 214 LEU HB2 H 1.647 0.015 1 2289 . 214 LEU HB3 H 1.647 0.015 1 2290 . 214 LEU HG H 1.659 0.015 1 2291 . 214 LEU HD1 H 0.977 0.015 1 2292 . 214 LEU HD2 H 0.933 0.015 1 2293 . 214 LEU CA C 56.692 0.06 1 2294 . 214 LEU CB C 43.668 0.06 1 2295 . 214 LEU CG C 27.391 0.06 1 2296 . 214 LEU CD1 C 25.302 0.06 1 2297 . 214 LEU CD2 C 23.841 0.06 1 2298 . 214 LEU N N 131.376 0.03 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HTLV-I capsid monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 7 SER CA C 58.449 0.23 1 2 . 7 SER CB C 63.171 0.23 1 3 . 8 GLY H H 8.421 0.015 1 4 . 8 GLY CA C 45.069 0.23 1 5 . 8 GLY N N 110.159 0.03 1 6 . 9 HIS H H 8.241 0.015 1 7 . 9 HIS CA C 55.688 0.23 1 8 . 9 HIS CB C 29.285 0.23 1 9 . 9 HIS N N 118.967 0.03 1 10 . 10 ILE H H 8.204 0.015 1 11 . 10 ILE CA C 60.672 0.23 1 12 . 10 ILE CB C 37.683 0.23 1 13 . 10 ILE N N 123.008 0.03 1 14 . 11 GLU H H 8.550 0.015 1 15 . 11 GLU CA C 56.400 0.23 1 16 . 11 GLU CB C 29.251 0.23 1 17 . 11 GLU N N 125.189 0.03 1 18 . 12 GLY H H 8.520 0.015 1 19 . 12 GLY CA C 45.275 0.23 1 20 . 12 GLY N N 110.240 0.03 1 21 . 13 ARG H H 7.987 0.015 1 22 . 13 ARG CA C 55.257 0.23 1 23 . 13 ARG CB C 30.544 0.23 1 24 . 13 ARG N N 119.541 0.03 1 25 . 14 HIS H H 9.725 0.015 1 26 . 14 HIS CA C 54.209 0.23 1 27 . 14 HIS CB C 29.733 0.23 1 28 . 14 HIS N N 121.251 0.03 1 29 . 15 MET H H 8.668 0.015 1 30 . 15 MET CA C 55.996 0.23 1 31 . 15 MET CB C 33.405 0.23 1 32 . 15 MET N N 120.846 0.03 1 33 . 16 GLN H H 9.533 0.015 1 34 . 16 GLN CA C 53.542 0.23 1 35 . 16 GLN CB C 30.466 0.23 1 36 . 16 GLN N N 122.480 0.03 1 37 . 17 MET H H 8.950 0.015 1 38 . 17 MET CA C 58.472 0.23 1 39 . 17 MET CB C 29.788 0.23 1 40 . 17 MET N N 123.084 0.03 1 41 . 18 LYS H H 8.584 0.015 1 42 . 18 LYS CA C 58.544 0.23 1 43 . 18 LYS CB C 30.164 0.23 1 44 . 18 LYS N N 115.482 0.03 1 45 . 19 ASP H H 7.300 0.015 1 46 . 19 ASP CA C 56.583 0.23 1 47 . 19 ASP CB C 40.596 0.23 1 48 . 19 ASP N N 120.113 0.03 1 49 . 20 LEU H H 7.401 0.015 1 50 . 20 LEU CA C 58.320 0.23 1 51 . 20 LEU CB C 38.711 0.23 1 52 . 20 LEU N N 119.803 0.03 1 53 . 21 GLN H H 8.149 0.015 1 54 . 21 GLN CA C 58.638 0.23 1 55 . 21 GLN CB C 27.219 0.23 1 56 . 21 GLN N N 116.199 0.03 1 57 . 22 ALA H H 7.659 0.015 1 58 . 22 ALA CA C 54.929 0.23 1 59 . 22 ALA CB C 17.075 0.23 1 60 . 22 ALA N N 122.250 0.03 1 61 . 23 ILE H H 8.077 0.015 1 62 . 23 ILE CA C 64.781 0.23 1 63 . 23 ILE CB C 36.823 0.23 1 64 . 23 ILE N N 119.737 0.03 1 65 . 24 LYS H H 8.333 0.015 1 66 . 24 LYS CA C 59.605 0.23 1 67 . 24 LYS CB C 31.483 0.23 1 68 . 24 LYS N N 119.532 0.03 1 69 . 25 GLN H H 8.099 0.015 1 70 . 25 GLN CA C 58.458 0.23 1 71 . 25 GLN CB C 27.472 0.23 1 72 . 25 GLN N N 117.265 0.03 1 73 . 26 GLU H H 7.842 0.015 1 74 . 26 GLU CA C 58.521 0.23 1 75 . 26 GLU CB C 28.944 0.23 1 76 . 26 GLU N N 119.403 0.03 1 77 . 27 VAL H H 8.134 0.015 1 78 . 27 VAL CA C 62.843 0.23 1 79 . 27 VAL CB C 30.798 0.23 1 80 . 27 VAL N N 113.415 0.03 1 81 . 28 SER H H 7.687 0.015 1 82 . 28 SER CA C 60.143 0.23 1 83 . 28 SER CB C 61.908 0.23 1 84 . 28 SER N N 114.690 0.03 1 85 . 29 GLN H H 8.489 0.015 1 86 . 29 GLN CA C 55.256 0.23 1 87 . 29 GLN CB C 27.393 0.23 1 88 . 29 GLN N N 118.099 0.03 1 89 . 30 ALA H H 7.996 0.015 1 90 . 30 ALA CA C 51.282 0.23 1 91 . 30 ALA CB C 19.160 0.23 1 92 . 30 ALA N N 124.258 0.03 1 93 . 31 ALA H H 8.679 0.015 1 94 . 31 ALA CA C 49.997 0.23 1 95 . 31 ALA CB C 16.606 0.23 1 96 . 31 ALA N N 124.622 0.03 1 97 . 32 PRO CA C 62.567 0.23 1 98 . 32 PRO CB C 30.301 0.23 1 99 . 33 GLY H H 5.577 0.015 1 100 . 33 GLY CA C 44.835 0.23 1 101 . 33 GLY N N 107.894 0.03 1 102 . 34 SER H H 8.084 0.015 1 103 . 34 SER CA C 57.933 0.23 1 104 . 34 SER CB C 62.132 0.23 1 105 . 34 SER N N 117.304 0.03 1 106 . 35 PRO CA C 66.458 0.23 1 107 . 35 PRO CB C 30.676 0.23 1 108 . 36 GLN H H 8.980 0.015 1 109 . 36 GLN CA C 58.910 0.23 1 110 . 36 GLN CB C 27.093 0.23 1 111 . 36 GLN N N 116.553 0.03 1 112 . 37 PHE H H 7.306 0.015 1 113 . 37 PHE CA C 60.786 0.23 1 114 . 37 PHE CB C 39.556 0.23 1 115 . 37 PHE N N 120.732 0.03 1 116 . 38 MET H H 8.885 0.015 1 117 . 38 MET CA C 55.120 0.23 1 118 . 38 MET CB C 27.810 0.23 1 119 . 38 MET N N 114.425 0.03 1 120 . 39 GLN H H 8.408 0.015 1 121 . 39 GLN CA C 58.979 0.23 1 122 . 39 GLN CB C 27.198 0.23 1 123 . 39 GLN N N 119.357 0.03 1 124 . 40 THR H H 7.403 0.015 1 125 . 40 THR CA C 66.725 0.23 1 126 . 40 THR CB C 67.540 0.23 1 127 . 40 THR N N 115.461 0.03 1 128 . 41 ILE H H 8.152 0.015 1 129 . 41 ILE CA C 63.533 0.23 1 130 . 41 ILE CB C 35.491 0.23 1 131 . 41 ILE N N 119.162 0.03 1 132 . 42 ARG H H 8.881 0.015 1 133 . 42 ARG CA C 60.632 0.23 1 134 . 42 ARG CB C 28.780 0.23 1 135 . 42 ARG N N 121.786 0.03 1 136 . 43 LEU H H 7.522 0.015 1 137 . 43 LEU CA C 57.662 0.23 1 138 . 43 LEU CB C 40.014 0.23 1 139 . 43 LEU N N 119.847 0.03 1 140 . 44 ALA H H 7.939 0.015 1 141 . 44 ALA CA C 54.860 0.23 1 142 . 44 ALA CB C 16.410 0.23 1 143 . 44 ALA N N 121.860 0.03 1 144 . 45 VAL H H 8.414 0.015 1 145 . 45 VAL CA C 66.012 0.23 1 146 . 45 VAL CB C 30.208 0.23 1 147 . 45 VAL N N 118.104 0.03 1 148 . 46 GLN H H 7.931 0.015 1 149 . 46 GLN CA C 58.566 0.23 1 150 . 46 GLN CB C 27.755 0.23 1 151 . 46 GLN N N 119.862 0.03 1 152 . 47 GLN H H 8.394 0.015 1 153 . 47 GLN CA C 58.136 0.23 1 154 . 47 GLN CB C 27.997 0.23 1 155 . 47 GLN N N 116.547 0.03 1 156 . 48 PHE H H 8.223 0.015 1 157 . 48 PHE CA C 58.971 0.23 1 158 . 48 PHE CB C 39.248 0.23 1 159 . 48 PHE N N 112.515 0.03 1 160 . 49 ASP H H 7.886 0.015 1 161 . 49 ASP CA C 54.214 0.23 1 162 . 49 ASP CB C 39.052 0.23 1 163 . 49 ASP N N 117.150 0.03 1 164 . 50 PRO CA C 62.113 0.23 1 165 . 50 PRO CB C 32.518 0.23 1 166 . 51 THR H H 8.923 0.015 1 167 . 51 THR CA C 60.410 0.23 1 168 . 51 THR CB C 69.404 0.23 1 169 . 51 THR N N 109.893 0.03 1 170 . 52 ALA H H 6.676 0.015 1 171 . 52 ALA CA C 55.757 0.23 1 172 . 52 ALA CB C 16.971 0.23 1 173 . 52 ALA N N 120.233 0.03 1 174 . 53 LYS H H 8.714 0.015 1 175 . 53 LYS CA C 58.943 0.23 1 176 . 53 LYS CB C 30.912 0.23 1 177 . 53 LYS N N 122.118 0.03 1 178 . 54 ASP H H 7.431 0.015 1 179 . 54 ASP CA C 57.258 0.23 1 180 . 54 ASP CB C 40.908 0.23 1 181 . 54 ASP N N 119.409 0.03 1 182 . 55 LEU H H 7.994 0.015 1 183 . 55 LEU CA C 57.028 0.23 1 184 . 55 LEU CB C 38.290 0.23 1 185 . 55 LEU N N 117.622 0.03 1 186 . 56 GLN H H 7.857 0.015 1 187 . 56 GLN CA C 58.044 0.23 1 188 . 56 GLN CB C 26.529 0.23 1 189 . 56 GLN N N 121.181 0.03 1 190 . 57 ASP H H 8.024 0.015 1 191 . 57 ASP CA C 57.132 0.23 1 192 . 57 ASP CB C 38.864 0.23 1 193 . 57 ASP N N 120.845 0.03 1 194 . 58 LEU H H 8.517 0.015 1 195 . 58 LEU CA C 58.099 0.23 1 196 . 58 LEU CB C 40.680 0.23 1 197 . 58 LEU N N 120.728 0.03 1 198 . 59 LEU H H 8.708 0.015 1 199 . 59 LEU CA C 58.705 0.23 1 200 . 59 LEU CB C 41.804 0.23 1 201 . 59 LEU N N 119.690 0.03 1 202 . 60 GLN H H 8.147 0.015 1 203 . 60 GLN CA C 57.451 0.23 1 204 . 60 GLN CB C 27.579 0.23 1 205 . 60 GLN N N 113.468 0.03 1 206 . 61 TYR H H 8.061 0.015 1 207 . 61 TYR CA C 60.150 0.23 1 208 . 61 TYR CB C 39.143 0.23 1 209 . 61 TYR N N 118.358 0.03 1 210 . 62 LEU H H 8.159 0.015 1 211 . 62 LEU CA C 56.207 0.23 1 212 . 62 LEU CB C 44.052 0.23 1 213 . 62 LEU N N 113.779 0.03 1 214 . 63 CYS H H 8.083 0.015 1 215 . 63 CYS CA C 57.960 0.23 1 216 . 63 CYS CB C 31.121 0.23 1 217 . 63 CYS N N 114.714 0.03 1 218 . 64 SER H H 8.947 0.015 1 219 . 64 SER CA C 57.070 0.23 1 220 . 64 SER CB C 64.226 0.23 1 221 . 64 SER N N 117.731 0.03 1 222 . 65 SER H H 9.020 0.015 1 223 . 65 SER CA C 61.571 0.23 1 224 . 65 SER CB C 61.876 0.23 1 225 . 65 SER N N 116.597 0.03 1 226 . 66 LEU H H 8.146 0.015 1 227 . 66 LEU CA C 58.019 0.23 1 228 . 66 LEU CB C 40.589 0.23 1 229 . 66 LEU N N 122.602 0.03 1 230 . 67 VAL H H 7.554 0.015 1 231 . 67 VAL CA C 66.630 0.23 1 232 . 67 VAL CB C 30.655 0.23 1 233 . 67 VAL N N 120.303 0.03 1 234 . 68 ALA H H 8.874 0.015 1 235 . 68 ALA CA C 55.206 0.23 1 236 . 68 ALA CB C 16.667 0.23 1 237 . 68 ALA N N 120.945 0.03 1 238 . 69 SER H H 8.058 0.015 1 239 . 69 SER CA C 61.667 0.23 1 240 . 69 SER CB C 62.273 0.23 1 241 . 69 SER N N 113.911 0.03 1 242 . 70 LEU H H 8.026 0.015 1 243 . 70 LEU CA C 57.593 0.23 1 244 . 70 LEU CB C 40.671 0.23 1 245 . 70 LEU N N 123.437 0.03 1 246 . 71 HIS H H 8.788 0.015 1 247 . 71 HIS CA C 61.636 0.23 1 248 . 71 HIS CB C 30.066 0.23 1 249 . 71 HIS N N 121.076 0.03 1 250 . 72 HIS H H 8.456 0.015 1 251 . 72 HIS CA C 58.899 0.23 1 252 . 72 HIS CB C 28.218 0.23 1 253 . 72 HIS N N 116.721 0.03 1 254 . 73 GLN H H 7.852 0.015 1 255 . 73 GLN CA C 58.511 0.23 1 256 . 73 GLN CB C 27.764 0.23 1 257 . 73 GLN N N 116.885 0.03 1 258 . 74 GLN H H 7.822 0.015 1 259 . 74 GLN CA C 57.327 0.23 1 260 . 74 GLN CB C 26.353 0.23 1 261 . 74 GLN N N 119.284 0.03 1 262 . 75 LEU H H 9.125 0.015 1 263 . 75 LEU CA C 57.569 0.23 1 264 . 75 LEU CB C 39.370 0.23 1 265 . 75 LEU N N 122.252 0.03 1 266 . 76 ASP H H 8.348 0.015 1 267 . 76 ASP CA C 57.588 0.23 1 268 . 76 ASP CB C 39.079 0.23 1 269 . 76 ASP N N 118.819 0.03 1 270 . 77 SER H H 7.382 0.015 1 271 . 77 SER CA C 61.555 0.23 1 272 . 77 SER CB C 62.084 0.23 1 273 . 77 SER N N 115.373 0.03 1 274 . 78 LEU H H 8.327 0.015 1 275 . 78 LEU CA C 57.619 0.23 1 276 . 78 LEU CB C 40.918 0.23 1 277 . 78 LEU N N 122.715 0.03 1 278 . 79 ILE H H 9.125 0.015 1 279 . 79 ILE CA C 65.798 0.23 1 280 . 79 ILE CB C 36.785 0.23 1 281 . 79 ILE N N 121.267 0.03 1 282 . 80 SER H H 7.936 0.015 1 283 . 80 SER CA C 61.640 0.23 1 284 . 80 SER CB C 62.511 0.23 1 285 . 80 SER N N 114.593 0.03 1 286 . 81 GLU H H 7.894 0.015 1 287 . 81 GLU CA C 59.019 0.23 1 288 . 81 GLU CB C 28.608 0.23 1 289 . 81 GLU N N 120.686 0.03 1 290 . 82 ALA H H 8.316 0.015 1 291 . 82 ALA CA C 54.929 0.23 1 292 . 82 ALA CB C 17.078 0.23 1 293 . 82 ALA N N 123.673 0.03 1 294 . 83 GLU H H 8.920 0.015 1 295 . 83 GLU CA C 59.175 0.23 1 296 . 83 GLU CB C 28.735 0.23 1 297 . 83 GLU N N 116.795 0.03 1 298 . 84 THR H H 7.769 0.015 1 299 . 84 THR CA C 65.410 0.23 1 300 . 84 THR CB C 68.113 0.23 1 301 . 84 THR N N 114.177 0.03 1 302 . 85 ARG H H 7.739 0.015 1 303 . 85 ARG CA C 57.819 0.23 1 304 . 85 ARG CB C 29.609 0.23 1 305 . 85 ARG N N 120.705 0.03 1 306 . 86 GLY H H 8.018 0.015 1 307 . 86 GLY CA C 44.722 0.23 1 308 . 86 GLY N N 109.402 0.03 1 309 . 87 ILE H H 8.788 0.015 1 310 . 87 ILE CA C 60.112 0.23 1 311 . 87 ILE CB C 39.323 0.23 1 312 . 87 ILE N N 126.368 0.03 1 313 . 88 THR H H 8.834 0.015 1 314 . 88 THR CA C 64.793 0.23 1 315 . 88 THR CB C 67.902 0.23 1 316 . 88 THR N N 126.285 0.03 1 317 . 89 GLY H H 8.947 0.015 1 318 . 89 GLY CA C 45.224 0.23 1 319 . 89 GLY N N 113.514 0.03 1 320 . 90 TYR H H 7.992 0.015 1 321 . 90 TYR CA C 56.149 0.23 1 322 . 90 TYR CB C 38.111 0.23 1 323 . 90 TYR N N 120.588 0.03 1 324 . 91 ASN H H 8.995 0.015 1 325 . 91 ASN CA C 48.354 0.23 1 326 . 91 ASN CB C 38.213 0.23 1 327 . 91 ASN N N 128.408 0.03 1 328 . 92 PRO CA C 63.304 0.23 1 329 . 92 PRO CB C 30.815 0.23 1 330 . 93 LEU H H 7.659 0.015 1 331 . 93 LEU CA C 56.146 0.23 1 332 . 93 LEU CB C 39.464 0.23 1 333 . 93 LEU N N 117.623 0.03 1 334 . 94 ALA H H 7.501 0.015 1 335 . 94 ALA CA C 51.575 0.23 1 336 . 94 ALA CB C 17.132 0.23 1 337 . 94 ALA N N 119.534 0.03 1 338 . 95 GLY H H 7.294 0.015 1 339 . 95 GLY CA C 43.531 0.23 1 340 . 95 GLY N N 106.816 0.03 1 341 . 96 PRO CA C 62.885 0.23 1 342 . 96 PRO CB C 31.676 0.23 1 343 . 97 LEU H H 8.862 0.015 1 344 . 97 LEU CA C 59.129 0.23 1 345 . 97 LEU CB C 39.641 0.23 1 346 . 97 LEU N N 126.761 0.03 1 347 . 98 ARG H H 9.031 0.015 1 348 . 98 ARG CA C 58.795 0.23 1 349 . 98 ARG CB C 28.960 0.23 1 350 . 98 ARG N N 113.745 0.03 1 351 . 99 VAL H H 6.822 0.015 1 352 . 99 VAL CA C 64.328 0.23 1 353 . 99 VAL CB C 31.385 0.23 1 354 . 99 VAL N N 115.251 0.03 1 355 . 100 GLN H H 8.155 0.015 1 356 . 100 GLN CA C 60.188 0.23 1 357 . 100 GLN CB C 28.309 0.23 1 358 . 100 GLN N N 120.992 0.03 1 359 . 101 ALA H H 8.290 0.015 1 360 . 101 ALA CA C 53.326 0.23 1 361 . 101 ALA CB C 17.427 0.23 1 362 . 101 ALA N N 116.703 0.03 1 363 . 102 ASN H H 7.470 0.015 1 364 . 102 ASN CA C 52.661 0.23 1 365 . 102 ASN CB C 38.265 0.23 1 366 . 102 ASN N N 115.511 0.03 1 367 . 103 ASN H H 7.831 0.015 1 368 . 103 ASN CA C 50.929 0.23 1 369 . 103 ASN CB C 38.016 0.23 1 370 . 103 ASN N N 122.009 0.03 1 371 . 104 PRO CA C 64.684 0.23 1 372 . 104 PRO CB C 31.271 0.23 1 373 . 105 GLN H H 8.274 0.015 1 374 . 105 GLN CA C 56.306 0.23 1 375 . 105 GLN CB C 27.855 0.23 1 376 . 105 GLN N N 113.853 0.03 1 377 . 106 GLN H H 7.740 0.015 1 378 . 106 GLN CA C 53.229 0.23 1 379 . 106 GLN CB C 25.431 0.23 1 380 . 106 GLN N N 119.973 0.03 1 381 . 107 GLN H H 7.871 0.015 1 382 . 107 GLN CA C 59.475 0.23 1 383 . 107 GLN CB C 28.189 0.23 1 384 . 107 GLN N N 120.711 0.03 1 385 . 108 GLY H H 8.605 0.015 1 386 . 108 GLY CA C 46.922 0.23 1 387 . 108 GLY N N 106.469 0.03 1 388 . 109 LEU H H 7.954 0.015 1 389 . 109 LEU CA C 57.065 0.23 1 390 . 109 LEU CB C 39.301 0.23 1 391 . 109 LEU N N 121.036 0.03 1 392 . 110 ARG H H 8.327 0.015 1 393 . 110 ARG CA C 60.283 0.23 1 394 . 110 ARG CB C 28.066 0.23 1 395 . 110 ARG N N 120.352 0.03 1 396 . 111 ARG H H 8.208 0.015 1 397 . 111 ARG CA C 58.164 0.23 1 398 . 111 ARG CB C 27.847 0.23 1 399 . 111 ARG N N 118.873 0.03 1 400 . 112 GLU H H 8.102 0.015 1 401 . 112 GLU CA C 58.813 0.23 1 402 . 112 GLU CB C 27.611 0.23 1 403 . 112 GLU N N 119.952 0.03 1 404 . 113 TYR H H 8.678 0.015 1 405 . 113 TYR CA C 62.896 0.23 1 406 . 113 TYR CB C 37.697 0.23 1 407 . 113 TYR N N 119.540 0.03 1 408 . 114 GLN H H 8.496 0.015 1 409 . 114 GLN CA C 58.853 0.23 1 410 . 114 GLN CB C 26.882 0.23 1 411 . 114 GLN N N 116.675 0.03 1 412 . 115 GLN H H 7.743 0.015 1 413 . 115 GLN CA C 58.646 0.23 1 414 . 115 GLN CB C 27.257 0.23 1 415 . 115 GLN N N 114.510 0.03 1 416 . 116 LEU H H 7.886 0.015 1 417 . 116 LEU CA C 57.791 0.23 1 418 . 116 LEU CB C 40.180 0.23 1 419 . 116 LEU N N 122.098 0.03 1 420 . 117 TRP H H 8.907 0.015 1 421 . 117 TRP CA C 62.317 0.23 1 422 . 117 TRP CB C 28.436 0.23 1 423 . 117 TRP NE1 N 129.236 0.03 1 424 . 117 TRP HE1 H 9.500 0.03 1 425 . 117 TRP N N 121.031 0.03 1 426 . 118 LEU H H 8.640 0.015 1 427 . 118 LEU CA C 57.944 0.23 1 428 . 118 LEU CB C 41.609 0.23 1 429 . 118 LEU N N 118.516 0.03 1 430 . 119 ALA H H 8.172 0.015 1 431 . 119 ALA CA C 54.269 0.23 1 432 . 119 ALA CB C 17.017 0.23 1 433 . 119 ALA N N 122.715 0.03 1 434 . 120 ALA H H 7.930 0.015 1 435 . 120 ALA CA C 53.951 0.23 1 436 . 120 ALA CB C 15.235 0.23 1 437 . 120 ALA N N 120.478 0.03 1 438 . 121 PHE H H 7.229 0.015 1 439 . 121 PHE CA C 61.931 0.23 1 440 . 121 PHE CB C 39.016 0.23 1 441 . 121 PHE N N 111.649 0.03 1 442 . 122 ALA H H 7.681 0.015 1 443 . 122 ALA CA C 53.703 0.23 1 444 . 122 ALA CB C 17.353 0.23 1 445 . 122 ALA N N 120.008 0.03 1 446 . 123 ALA H H 7.285 0.015 1 447 . 123 ALA CA C 51.504 0.23 1 448 . 123 ALA CB C 18.160 0.23 1 449 . 123 ALA N N 117.510 0.03 1 450 . 124 LEU H H 7.402 0.015 1 451 . 124 LEU CA C 53.959 0.23 1 452 . 124 LEU CB C 38.809 0.23 1 453 . 124 LEU N N 119.286 0.03 1 454 . 125 PRO CA C 63.689 0.23 1 455 . 125 PRO CB C 30.424 0.23 1 456 . 126 GLY H H 8.569 0.015 1 457 . 126 GLY CA C 45.356 0.23 1 458 . 126 GLY N N 108.205 0.03 1 459 . 127 SER H H 7.955 0.015 1 460 . 127 SER CA C 58.297 0.23 1 461 . 127 SER CB C 63.360 0.23 1 462 . 127 SER N N 114.763 0.03 1 463 . 128 ALA H H 8.187 0.015 1 464 . 128 ALA CA C 52.355 0.23 1 465 . 128 ALA CB C 18.250 0.23 1 466 . 128 ALA N N 124.620 0.03 1 467 . 129 LYS H H 8.085 0.015 1 468 . 129 LYS CA C 55.632 0.23 1 469 . 129 LYS CB C 31.831 0.23 1 470 . 129 LYS N N 119.116 0.03 1 471 . 130 ASP H H 7.916 0.015 1 472 . 130 ASP CA C 52.202 0.23 1 473 . 130 ASP CB C 40.104 0.23 1 474 . 130 ASP N N 121.574 0.03 1 475 . 131 PRO CA C 62.317 0.23 1 476 . 131 PRO CB C 30.257 0.23 1 477 . 132 SER H H 8.644 0.015 1 478 . 132 SER CA C 60.280 0.23 1 479 . 132 SER CB C 62.241 0.23 1 480 . 132 SER N N 117.728 0.03 1 481 . 133 TRP H H 7.034 0.015 1 482 . 133 TRP CA C 56.912 0.23 1 483 . 133 TRP CB C 27.595 0.23 1 484 . 133 TRP NE1 N 130.6730 0.03 1 485 . 133 TRP HE1 H 10.439 0.03 1 486 . 133 TRP N N 117.863 0.03 1 487 . 134 ALA H H 7.116 0.015 1 488 . 134 ALA CA C 53.362 0.23 1 489 . 134 ALA CB C 17.072 0.23 1 490 . 134 ALA N N 120.134 0.03 1 491 . 135 SER H H 7.498 0.015 1 492 . 135 SER CA C 57.613 0.23 1 493 . 135 SER CB C 63.077 0.23 1 494 . 135 SER N N 109.705 0.03 1 495 . 136 ILE H H 7.097 0.015 1 496 . 136 ILE CA C 60.922 0.23 1 497 . 136 ILE CB C 34.786 0.23 1 498 . 136 ILE N N 122.958 0.03 1 499 . 137 LEU H H 8.075 0.015 1 500 . 137 LEU CA C 52.790 0.23 1 501 . 137 LEU CB C 43.244 0.23 1 502 . 137 LEU N N 128.189 0.03 1 503 . 138 GLN H H 7.481 0.015 1 504 . 138 GLN CA C 55.425 0.23 1 505 . 138 GLN CB C 25.692 0.23 1 506 . 138 GLN N N 125.209 0.03 1 507 . 139 GLY H H 9.771 0.015 1 508 . 139 GLY CA C 45.039 0.23 1 509 . 139 GLY N N 115.253 0.03 1 510 . 140 LEU H H 8.862 0.015 1 511 . 140 LEU CA C 58.020 0.23 1 512 . 140 LEU CB C 40.680 0.23 1 513 . 140 LEU N N 123.136 0.03 1 514 . 141 GLU H H 8.640 0.015 1 515 . 141 GLU CA C 53.890 0.23 1 516 . 141 GLU CB C 28.694 0.23 1 517 . 141 GLU N N 113.349 0.03 1 518 . 142 GLU H H 7.036 0.015 1 519 . 142 GLU CA C 52.782 0.23 1 520 . 142 GLU CB C 31.318 0.23 1 521 . 142 GLU N N 124.979 0.03 1 522 . 143 PRO CA C 63.166 0.23 1 523 . 143 PRO CB C 31.673 0.23 1 524 . 144 TYR H H 8.994 0.015 1 525 . 144 TYR CA C 63.245 0.23 1 526 . 144 TYR CB C 38.197 0.23 1 527 . 144 TYR N N 126.163 0.03 1 528 . 145 HIS H H 9.187 0.015 1 529 . 145 HIS CA C 59.026 0.23 1 530 . 145 HIS CB C 28.056 0.23 1 531 . 145 HIS N N 113.945 0.03 1 532 . 146 ALA H H 6.448 0.015 1 533 . 146 ALA CA C 54.015 0.23 1 534 . 146 ALA CB C 17.264 0.23 1 535 . 146 ALA N N 122.845 0.03 1 536 . 147 PHE H H 7.453 0.015 1 537 . 147 PHE CA C 58.775 0.23 1 538 . 147 PHE CB C 37.880 0.23 1 539 . 147 PHE N N 122.880 0.03 1 540 . 148 VAL H H 7.959 0.015 1 541 . 148 VAL CA C 66.298 0.23 1 542 . 148 VAL CB C 29.684 0.23 1 543 . 148 VAL N N 120.256 0.03 1 544 . 149 GLU H H 7.807 0.015 1 545 . 149 GLU CA C 59.260 0.23 1 546 . 149 GLU CB C 28.035 0.23 1 547 . 149 GLU N N 119.383 0.03 1 548 . 150 ARG H H 7.730 0.015 1 549 . 150 ARG CA C 60.306 0.23 1 550 . 150 ARG CB C 28.943 0.23 1 551 . 150 ARG N N 118.745 0.03 1 552 . 151 LEU H H 8.076 0.015 1 553 . 151 LEU CA C 57.486 0.23 1 554 . 151 LEU CB C 41.563 0.23 1 555 . 151 LEU N N 121.235 0.03 1 556 . 152 ASN H H 8.474 0.015 1 557 . 152 ASN CA C 57.355 0.23 1 558 . 152 ASN CB C 38.664 0.23 1 559 . 152 ASN N N 117.147 0.03 1 560 . 153 ILE H H 7.973 0.015 1 561 . 153 ILE CA C 64.076 0.23 1 562 . 153 ILE CB C 37.373 0.23 1 563 . 153 ILE N N 117.598 0.03 1 564 . 154 ALA H H 7.696 0.015 1 565 . 154 ALA CA C 54.848 0.23 1 566 . 154 ALA CB C 17.736 0.23 1 567 . 154 ALA N N 121.778 0.03 1 568 . 155 LEU H H 8.405 0.015 1 569 . 155 LEU CA C 57.161 0.23 1 570 . 155 LEU CB C 39.996 0.23 1 571 . 155 LEU N N 119.146 0.03 1 572 . 156 ASP H H 8.402 0.015 1 573 . 156 ASP CA C 57.162 0.23 1 574 . 156 ASP CB C 39.074 0.23 1 575 . 156 ASP N N 120.248 0.03 1 576 . 157 ASN H H 7.784 0.015 1 577 . 157 ASN CA C 54.262 0.23 1 578 . 157 ASN CB C 38.952 0.23 1 579 . 157 ASN N N 113.905 0.03 1 580 . 158 GLY H H 7.945 0.015 1 581 . 158 GLY CA C 45.762 0.23 1 582 . 158 GLY N N 105.766 0.03 1 583 . 159 LEU H H 8.292 0.015 1 584 . 159 LEU CA C 52.866 0.23 1 585 . 159 LEU CB C 40.792 0.23 1 586 . 159 LEU N N 122.966 0.03 1 587 . 160 PRO CA C 62.261 0.23 1 588 . 160 PRO CB C 30.843 0.23 1 589 . 161 GLU H H 8.729 0.015 1 590 . 161 GLU CA C 57.905 0.23 1 591 . 161 GLU CB C 28.498 0.23 1 592 . 161 GLU N N 123.743 0.03 1 593 . 162 GLY H H 8.874 0.015 1 594 . 162 GLY CA C 44.851 0.23 1 595 . 162 GLY N N 112.218 0.03 1 596 . 163 THR H H 7.710 0.015 1 597 . 163 THR CA C 60.772 0.23 1 598 . 163 THR CB C 69.175 0.23 1 599 . 163 THR N N 119.151 0.03 1 600 . 164 PRO CA C 62.646 0.23 1 601 . 164 PRO CB C 30.684 0.23 1 602 . 165 LYS H H 8.297 0.015 1 603 . 165 LYS CA C 58.403 0.23 1 604 . 165 LYS CB C 31.894 0.23 1 605 . 165 LYS N N 124.012 0.03 1 606 . 166 ASP H H 8.525 0.015 1 607 . 166 ASP CA C 59.501 0.23 1 608 . 166 ASP CB C 38.554 0.23 1 609 . 166 ASP N N 117.859 0.03 1 610 . 167 PRO CA C 65.709 0.23 1 611 . 167 PRO CB C 29.932 0.23 1 612 . 168 ILE H H 6.822 0.015 1 613 . 168 ILE CA C 63.667 0.23 1 614 . 168 ILE CB C 37.245 0.23 1 615 . 168 ILE N N 117.647 0.03 1 616 . 169 LEU H H 8.393 0.015 1 617 . 169 LEU CA C 58.284 0.23 1 618 . 169 LEU CB C 40.648 0.23 1 619 . 169 LEU N N 121.391 0.03 1 620 . 170 ARG H H 8.173 0.015 1 621 . 170 ARG CA C 59.731 0.23 1 622 . 170 ARG CB C 29.430 0.23 1 623 . 170 ARG N N 114.180 0.03 1 624 . 171 SER H H 7.319 0.015 1 625 . 171 SER CA C 61.377 0.23 1 626 . 171 SER CB C 62.776 0.23 1 627 . 171 SER N N 111.803 0.03 1 628 . 172 LEU H H 8.620 0.015 1 629 . 172 LEU CA C 57.107 0.23 1 630 . 172 LEU CB C 42.013 0.23 1 631 . 172 LEU N N 122.140 0.03 1 632 . 173 ALA H H 8.623 0.015 1 633 . 173 ALA CA C 54.003 0.23 1 634 . 173 ALA CB C 16.118 0.23 1 635 . 173 ALA N N 120.346 0.03 1 636 . 174 TYR H H 7.423 0.015 1 637 . 174 TYR CA C 59.411 0.23 1 638 . 174 TYR CB C 39.045 0.23 1 639 . 174 TYR N N 115.730 0.03 1 640 . 175 SER H H 9.078 0.015 1 641 . 175 SER CA C 61.980 0.23 1 642 . 175 SER CB C 62.834 0.23 1 643 . 175 SER N N 114.725 0.03 1 644 . 176 ASN H H 8.891 0.015 1 645 . 176 ASN CA C 51.917 0.23 1 646 . 176 ASN CB C 35.221 0.23 1 647 . 176 ASN N N 119.972 0.03 1 648 . 177 ALA H H 7.013 0.015 1 649 . 177 ALA CA C 51.196 0.23 1 650 . 177 ALA CB C 17.724 0.23 1 651 . 177 ALA N N 123.914 0.03 1 652 . 178 ASN H H 8.969 0.015 1 653 . 178 ASN CA C 51.167 0.23 1 654 . 178 ASN CB C 35.933 0.23 1 655 . 178 ASN N N 117.710 0.03 1 656 . 179 LYS H H 8.314 0.015 1 657 . 179 LYS CA C 59.118 0.23 1 658 . 179 LYS CB C 30.846 0.23 1 659 . 179 LYS N N 117.504 0.03 1 660 . 180 GLU H H 7.944 0.015 1 661 . 180 GLU CA C 59.378 0.23 1 662 . 180 GLU CB C 27.903 0.23 1 663 . 180 GLU N N 117.595 0.03 1 664 . 181 CYS H H 8.251 0.015 1 665 . 181 CYS CA C 64.183 0.23 1 666 . 181 CYS CB C 26.881 0.23 1 667 . 181 CYS N N 117.630 0.03 1 668 . 182 GLN H H 8.861 0.015 1 669 . 182 GLN CA C 60.479 0.23 1 670 . 182 GLN CB C 27.014 0.23 1 671 . 182 GLN N N 119.520 0.03 1 672 . 183 LYS H H 7.828 0.015 1 673 . 183 LYS CA C 59.282 0.23 1 674 . 183 LYS CB C 30.666 0.23 1 675 . 183 LYS N N 117.505 0.03 1 676 . 184 LEU H H 7.461 0.015 1 677 . 184 LEU CA C 57.828 0.23 1 678 . 184 LEU CB C 40.980 0.23 1 679 . 184 LEU N N 121.191 0.03 1 680 . 185 LEU H H 8.260 0.015 1 681 . 185 LEU CA C 58.174 0.23 1 682 . 185 LEU CB C 40.856 0.23 1 683 . 185 LEU N N 119.222 0.03 1 684 . 186 GLN H H 8.393 0.015 1 685 . 186 GLN CA C 58.317 0.23 1 686 . 186 GLN CB C 27.406 0.23 1 687 . 186 GLN N N 117.604 0.03 1 688 . 187 ALA H H 8.415 0.015 1 689 . 187 ALA CA C 54.398 0.23 1 690 . 187 ALA CB C 17.504 0.23 1 691 . 187 ALA N N 122.361 0.03 1 692 . 188 ARG H H 7.893 0.015 1 693 . 188 ARG CA C 54.855 0.23 1 694 . 188 ARG CB C 29.513 0.23 1 695 . 188 ARG N N 113.125 0.03 1 696 . 189 GLY H H 7.644 0.015 1 697 . 189 GLY CA C 45.759 0.23 1 698 . 189 GLY N N 107.070 0.03 1 699 . 190 HIS H H 8.362 0.015 1 700 . 190 HIS CA C 54.892 0.23 1 701 . 190 HIS CB C 30.724 0.23 1 702 . 190 HIS N N 116.800 0.03 1 703 . 191 THR CA C 64.172 0.23 1 704 . 191 THR CB C 67.590 0.23 1 705 . 192 ASN H H 8.238 0.015 1 706 . 192 ASN CA C 52.613 0.23 1 707 . 192 ASN CB C 38.227 0.23 1 708 . 192 ASN N N 118.095 0.03 1 709 . 193 SER H H 7.349 0.015 1 710 . 193 SER CA C 57.296 0.23 1 711 . 193 SER CB C 63.420 0.23 1 712 . 193 SER N N 118.751 0.03 1 713 . 194 PRO CA C 62.656 0.23 1 714 . 194 PRO CB C 31.178 0.23 1 715 . 195 LEU H H 8.902 0.015 1 716 . 195 LEU CA C 57.578 0.23 1 717 . 195 LEU CB C 40.977 0.23 1 718 . 195 LEU N N 124.098 0.03 1 719 . 196 GLY H H 8.885 0.015 1 720 . 196 GLY CA C 47.170 0.23 1 721 . 196 GLY N N 103.382 0.03 1 722 . 197 ASP H H 7.280 0.015 1 723 . 197 ASP CA C 56.610 0.23 1 724 . 197 ASP CB C 40.025 0.23 1 725 . 197 ASP N N 120.087 0.03 1 726 . 198 MET H H 7.599 0.015 1 727 . 198 MET CA C 59.902 0.23 1 728 . 198 MET CB C 31.796 0.23 1 729 . 198 MET N N 121.540 0.03 1 730 . 199 LEU H H 8.614 0.015 1 731 . 199 LEU CA C 58.000 0.23 1 732 . 199 LEU CB C 40.833 0.23 1 733 . 199 LEU N N 116.548 0.03 1 734 . 200 ARG H H 7.776 0.015 1 735 . 200 ARG CA C 59.133 0.23 1 736 . 200 ARG CB C 28.974 0.23 1 737 . 200 ARG N N 118.340 0.03 1 738 . 201 ALA H H 7.912 0.015 1 739 . 201 ALA CA C 54.425 0.23 1 740 . 201 ALA CB C 17.319 0.23 1 741 . 201 ALA N N 120.651 0.03 1 742 . 202 CYS H H 7.094 0.015 1 743 . 202 CYS CA C 58.621 0.23 1 744 . 202 CYS CB C 28.448 0.23 1 745 . 202 CYS N N 110.121 0.03 1 746 . 203 GLN H H 7.742 0.015 1 747 . 203 GLN CA C 58.487 0.23 1 748 . 203 GLN CB C 27.562 0.23 1 749 . 203 GLN N N 121.781 0.03 1 750 . 204 THR H H 7.924 0.015 1 751 . 204 THR CA C 61.364 0.23 1 752 . 204 THR CB C 68.032 0.23 1 753 . 204 THR N N 107.068 0.03 1 754 . 205 TRP H H 7.689 0.015 1 755 . 205 TRP CA C 59.178 0.23 1 756 . 205 TRP CB C 27.562 0.23 1 757 . 205 TRP NE1 N 131.383 0.03 1 758 . 205 TRP HE1 H 10.336 0.03 1 759 . 205 TRP N N 124.250 0.03 1 760 . 206 THR H H 7.406 0.015 1 761 . 206 THR CA C 57.679 0.23 1 762 . 206 THR CB C 69.688 0.23 1 763 . 206 THR N N 122.016 0.03 1 764 . 207 PRO CA C 62.161 0.23 1 765 . 207 PRO CB C 30.874 0.23 1 766 . 208 LYS H H 8.464 0.015 1 767 . 208 LYS CA C 56.312 0.23 1 768 . 208 LYS CB C 31.753 0.23 1 769 . 208 LYS N N 121.428 0.03 1 770 . 209 ASP H H 8.276 0.015 1 771 . 209 ASP CA C 54.108 0.23 1 772 . 209 ASP CB C 40.271 0.23 1 773 . 209 ASP N N 120.946 0.03 1 774 . 210 LYS H H 8.371 0.015 1 775 . 210 LYS CA C 56.217 0.23 1 776 . 210 LYS CB C 31.501 0.23 1 777 . 210 LYS N N 122.321 0.03 1 778 . 211 THR H H 8.292 0.015 1 779 . 211 THR CA C 62.433 0.23 1 780 . 211 THR CB C 68.960 0.23 1 781 . 211 THR N N 114.507 0.03 1 782 . 212 LYS H H 8.106 0.015 1 783 . 212 LYS CA C 55.840 0.23 1 784 . 212 LYS CB C 32.035 0.23 1 785 . 212 LYS N N 123.629 0.03 1 786 . 213 VAL H H 8.106 0.015 1 787 . 213 VAL CA C 62.108 0.23 1 788 . 213 VAL CB C 31.731 0.23 1 789 . 213 VAL N N 122.098 0.03 1 790 . 214 LEU H H 7.838 0.015 1 791 . 214 LEU CA C 56.432 0.23 1 792 . 214 LEU CB C 42.342 0.23 1 793 . 214 LEU N N 131.120 0.03 1 stop_ save_