data_16607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE AL-09 H87Y IMMUNOGLOBULIN LIGHT CHAIN VARIABLE DOMAIN ; _BMRB_accession_number 16607 _BMRB_flat_file_name bmr16607.str _Entry_type original _Submission_date 2009-11-11 _Accession_date 2009-11-11 _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 Volkman B. F. . 2 Peterson F. C. . 3 Ramirez-Alvarado M. . . 4 Baden E. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1269 "13C chemical shifts" 906 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-13 original author . stop_ _Original_release_date 2010-05-13 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title TBA _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Baden E. M. . 2 Peterson F. C. . 3 Owen B. A.L. . 4 Volkman B. F. . 5 Ramirez-Alvarado M. . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AL-09 H87Y' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AL-09 H87Y_1' $AL-09_H87Y 'AL-09 H87Y_2' $AL-09_H87Y stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AL-09_H87Y _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AL-09_H87Y _Molecular_mass 12154.475 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; STDIQMTQSPSSLSASVGDR VTITCQASQDINNYLIWYQQ KPGQAPKLLIYDASTLETGV PSRFSGSGSGTEFTFTISSL QPEDLATYYCQQYDNLPYTF GQGTKLEIKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 SER 2 0 THR 3 1 ASP 4 2 ILE 5 3 GLN 6 4 MET 7 5 THR 8 6 GLN 9 7 SER 10 8 PRO 11 9 SER 12 10 SER 13 11 LEU 14 12 SER 15 13 ALA 16 14 SER 17 15 VAL 18 16 GLY 19 17 ASP 20 18 ARG 21 19 VAL 22 20 THR 23 21 ILE 24 22 THR 25 23 CYS 26 24 GLN 27 25 ALA 28 26 SER 29 27 GLN 30 28 ASP 31 29 ILE 32 30 ASN 33 31 ASN 34 32 TYR 35 33 LEU 36 34 ILE 37 35 TRP 38 36 TYR 39 37 GLN 40 38 GLN 41 39 LYS 42 40 PRO 43 41 GLY 44 42 GLN 45 43 ALA 46 44 PRO 47 45 LYS 48 46 LEU 49 47 LEU 50 48 ILE 51 49 TYR 52 50 ASP 53 51 ALA 54 52 SER 55 53 THR 56 54 LEU 57 55 GLU 58 56 THR 59 57 GLY 60 58 VAL 61 59 PRO 62 60 SER 63 61 ARG 64 62 PHE 65 63 SER 66 64 GLY 67 65 SER 68 66 GLY 69 67 SER 70 68 GLY 71 69 THR 72 70 GLU 73 71 PHE 74 72 THR 75 73 PHE 76 74 THR 77 75 ILE 78 76 SER 79 77 SER 80 78 LEU 81 79 GLN 82 80 PRO 83 81 GLU 84 82 ASP 85 83 LEU 86 84 ALA 87 85 THR 88 86 TYR 89 87 TYR 90 88 CYS 91 89 GLN 92 90 GLN 93 91 TYR 94 92 ASP 95 93 ASN 96 94 LEU 97 95 PRO 98 96 TYR 99 97 THR 100 98 PHE 101 99 GLY 102 100 GLN 103 101 GLY 104 102 THR 105 103 LYS 106 104 LEU 107 105 GLU 108 106 ILE 109 107 LYS 110 108 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KQN "Solution Structure Of The Al-09 H87y Immunoglobulin Light Ch Variable Domain" 100.00 110 100.00 100.00 3.87e-73 PDB 2Q1E "Altered Dimer Interface Decreases Stability In An Amyloidogenic Kappa1 Bence Jones Protein" 99.09 109 98.17 100.00 2.42e-71 PDB 3CDY "Al-09 H87y, Immunoglobulin Light Chain Variable Domain" 99.09 109 100.00 100.00 4.67e-72 PDB 3U7A "Al-09 Y32f Y96f" 100.00 110 97.27 100.00 7.96e-72 GB AAO11844 "immunoglobulin kappa light chain variable region [Homo sapiens]" 98.18 108 99.07 100.00 1.85e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AL-09_H87Y Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $AL-09_H87Y 'recombinant technology' . Escherichia coli 'BL21 Gold(DE3)' pET-12a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM kI AL-09 H87Y U-15N/13C, 10 mM MES' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AL-09_H87Y 0.8 mM '[U-100% 13C; U-100% 15N]' MES 10 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 8 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AL-09 H87Y_1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 ASP H H 8.433 0.02 1 2 1 3 ASP HA H 4.671 0.02 1 3 1 3 ASP HB2 H 2.671 0.02 2 4 1 3 ASP HB3 H 2.591 0.02 2 5 1 3 ASP C C 175.700 0.1 1 6 1 3 ASP CA C 54.100 0.1 1 7 1 3 ASP CB C 41.300 0.1 1 8 1 3 ASP N N 124.000 0.1 1 9 2 4 ILE H H 8.594 0.02 1 10 2 4 ILE HA H 3.803 0.02 1 11 2 4 ILE HB H 1.769 0.02 1 12 2 4 ILE HD1 H 0.804 0.02 1 13 2 4 ILE HG12 H 1.578 0.02 2 14 2 4 ILE HG13 H 0.740 0.02 2 15 2 4 ILE HG2 H 0.860 0.02 1 16 2 4 ILE C C 175.707 0.1 1 17 2 4 ILE CA C 62.340 0.1 1 18 2 4 ILE CB C 38.387 0.1 1 19 2 4 ILE CD1 C 13.794 0.1 1 20 2 4 ILE CG1 C 28.118 0.1 1 21 2 4 ILE CG2 C 18.486 0.1 1 22 2 4 ILE N N 124.009 0.1 1 23 3 5 GLN H H 8.717 0.02 1 24 3 5 GLN HA H 4.562 0.02 1 25 3 5 GLN HB2 H 2.135 0.02 2 26 3 5 GLN HB3 H 2.030 0.02 2 27 3 5 GLN HE21 H 7.691 0.02 2 28 3 5 GLN HE22 H 6.869 0.02 2 29 3 5 GLN HG2 H 2.449 0.02 2 30 3 5 GLN HG3 H 2.407 0.02 2 31 3 5 GLN C C 175.652 0.1 1 32 3 5 GLN CA C 55.188 0.1 1 33 3 5 GLN CB C 30.685 0.1 1 34 3 5 GLN CG C 34.246 0.1 1 35 3 5 GLN N N 128.596 0.1 1 36 3 5 GLN NE2 N 113.109 0.1 1 37 4 6 MET H H 9.088 0.02 1 38 4 6 MET HA H 5.670 0.02 1 39 4 6 MET HB2 H 2.398 0.02 2 40 4 6 MET HB3 H 2.398 0.02 2 41 4 6 MET HE H 1.650 0.02 1 42 4 6 MET HG2 H 1.899 0.02 2 43 4 6 MET HG3 H 1.654 0.02 2 44 4 6 MET C C 176.659 0.1 1 45 4 6 MET CA C 51.877 0.1 1 46 4 6 MET CB C 30.900 0.1 1 47 4 6 MET CE C 16.631 0.1 1 48 4 6 MET CG C 30.800 0.1 1 49 4 6 MET N N 124.118 0.1 1 50 5 7 THR H H 9.614 0.02 1 51 5 7 THR HA H 4.829 0.02 1 52 5 7 THR HB H 4.212 0.02 1 53 5 7 THR HG2 H 1.314 0.02 1 54 5 7 THR C C 173.970 0.1 1 55 5 7 THR CA C 62.399 0.1 1 56 5 7 THR CB C 70.314 0.1 1 57 5 7 THR CG2 C 21.352 0.1 1 58 5 7 THR N N 120.262 0.1 1 59 6 8 GLN H H 9.780 0.02 1 60 6 8 GLN HA H 5.667 0.02 1 61 6 8 GLN HB2 H 2.356 0.02 2 62 6 8 GLN HB3 H 2.143 0.02 2 63 6 8 GLN HE21 H 7.699 0.02 2 64 6 8 GLN HE22 H 7.169 0.02 2 65 6 8 GLN HG2 H 2.318 0.02 2 66 6 8 GLN HG3 H 2.830 0.02 2 67 6 8 GLN C C 175.268 0.1 1 68 6 8 GLN CA C 54.600 0.1 1 69 6 8 GLN CB C 31.200 0.1 1 70 6 8 GLN CG C 34.500 0.1 1 71 6 8 GLN N N 132.000 0.1 1 72 6 8 GLN NE2 N 110.407 0.1 1 73 7 9 SER H H 9.073 0.02 1 74 7 9 SER HA H 4.856 0.02 1 75 7 9 SER HB2 H 3.815 0.02 2 76 7 9 SER HB3 H 3.815 0.02 2 77 7 9 SER C C 171.266 0.1 1 78 7 9 SER CA C 55.457 0.1 1 79 7 9 SER CB C 65.810 0.1 1 80 7 9 SER N N 120.581 0.1 1 81 8 10 PRO HA H 5.231 0.02 1 82 8 10 PRO HB2 H 2.690 0.02 2 83 8 10 PRO HB3 H 2.565 0.02 2 84 8 10 PRO HD2 H 3.789 0.02 2 85 8 10 PRO HD3 H 3.845 0.02 2 86 8 10 PRO HG2 H 2.266 0.02 2 87 8 10 PRO HG3 H 1.698 0.02 2 88 8 10 PRO CA C 63.222 0.1 1 89 8 10 PRO CB C 35.073 0.1 1 90 8 10 PRO CD C 49.309 0.1 1 91 8 10 PRO CG C 25.690 0.1 1 92 9 11 SER HA H 5.005 0.02 1 93 9 11 SER HB2 H 4.150 0.02 2 94 9 11 SER HB3 H 4.150 0.02 2 95 9 11 SER C C 175.843 0.1 1 96 9 11 SER CA C 60.911 0.1 1 97 9 11 SER CB C 63.300 0.1 1 98 10 12 SER H H 7.840 0.02 1 99 10 12 SER HA H 5.313 0.02 1 100 10 12 SER HB2 H 3.972 0.02 2 101 10 12 SER HB3 H 3.972 0.02 2 102 10 12 SER C C 172.071 0.1 1 103 10 12 SER CA C 57.474 0.1 1 104 10 12 SER CB C 65.214 0.1 1 105 10 12 SER N N 115.700 0.1 1 106 11 13 LEU H H 8.689 0.02 1 107 11 13 LEU HA H 4.709 0.02 1 108 11 13 LEU HB2 H 1.662 0.02 2 109 11 13 LEU HB3 H 1.559 0.02 2 110 11 13 LEU HD1 H 0.980 0.02 2 111 11 13 LEU HD2 H 0.991 0.02 2 112 11 13 LEU HG H 1.606 0.02 1 113 11 13 LEU C C 174.260 0.1 1 114 11 13 LEU CA C 55.423 0.1 1 115 11 13 LEU CB C 46.800 0.1 1 116 11 13 LEU CD2 C 25.600 0.1 1 117 11 13 LEU CG C 27.259 0.1 1 118 11 13 LEU N N 124.247 0.1 1 119 12 14 SER H H 8.541 0.02 1 120 12 14 SER HA H 5.459 0.02 1 121 12 14 SER HB2 H 3.720 0.02 2 122 12 14 SER HB3 H 3.720 0.02 2 123 12 14 SER C C 173.588 0.1 1 124 12 14 SER CA C 56.478 0.1 1 125 12 14 SER CB C 64.214 0.1 1 126 12 14 SER N N 119.600 0.1 1 127 13 15 ALA H H 8.620 0.02 1 128 13 15 ALA HA H 4.780 0.02 1 129 13 15 ALA HB H 1.403 0.02 1 130 13 15 ALA C C 175.124 0.1 1 131 13 15 ALA CA C 51.085 0.1 1 132 13 15 ALA CB C 23.200 0.1 1 133 13 15 ALA N N 128.300 0.1 1 134 14 16 SER H H 8.696 0.02 1 135 14 16 SER HA H 4.968 0.02 1 136 14 16 SER HB2 H 3.936 0.02 2 137 14 16 SER HB3 H 3.689 0.02 2 138 14 16 SER C C 173.972 0.1 1 139 14 16 SER CA C 57.855 0.1 1 140 14 16 SER CB C 64.956 0.1 1 141 14 16 SER N N 116.525 0.1 1 142 15 17 VAL H H 8.590 0.02 1 143 15 17 VAL HA H 3.518 0.02 1 144 15 17 VAL HB H 1.981 0.02 1 145 15 17 VAL HG1 H 1.081 0.02 2 146 15 17 VAL HG2 H 1.025 0.02 2 147 15 17 VAL C C 178.003 0.1 1 148 15 17 VAL CA C 65.426 0.1 1 149 15 17 VAL CB C 31.405 0.1 1 150 15 17 VAL CG1 C 21.035 0.1 1 151 15 17 VAL CG2 C 23.200 0.1 1 152 15 17 VAL N N 122.738 0.1 1 153 16 18 GLY H H 10.039 0.02 1 154 16 18 GLY HA2 H 4.406 0.02 2 155 16 18 GLY HA3 H 3.780 0.02 2 156 16 18 GLY C C 174.980 0.1 1 157 16 18 GLY CA C 44.624 0.1 1 158 16 18 GLY N N 117.732 0.1 1 159 17 19 ASP H H 8.131 0.02 1 160 17 19 ASP HA H 4.638 0.02 1 161 17 19 ASP HB2 H 2.957 0.02 2 162 17 19 ASP HB3 H 2.613 0.02 2 163 17 19 ASP C C 175.220 0.1 1 164 17 19 ASP CA C 55.012 0.1 1 165 17 19 ASP CB C 41.796 0.1 1 166 17 19 ASP N N 122.036 0.1 1 167 18 20 ARG H H 8.256 0.02 1 168 18 20 ARG HA H 4.965 0.02 1 169 18 20 ARG HB2 H 1.795 0.02 2 170 18 20 ARG HB3 H 1.714 0.02 2 171 18 20 ARG HD2 H 3.147 0.02 2 172 18 20 ARG HD3 H 3.147 0.02 2 173 18 20 ARG HG2 H 1.521 0.02 2 174 18 20 ARG HG3 H 1.299 0.02 2 175 18 20 ARG C C 176.879 0.1 1 176 18 20 ARG CA C 54.954 0.1 1 177 18 20 ARG CB C 31.600 0.1 1 178 18 20 ARG CD C 43.500 0.1 1 179 18 20 ARG CG C 28.149 0.1 1 180 18 20 ARG N N 120.476 0.1 1 181 19 21 VAL H H 8.630 0.02 1 182 19 21 VAL HA H 4.515 0.02 1 183 19 21 VAL HB H 1.841 0.02 1 184 19 21 VAL HG1 H 0.807 0.02 2 185 19 21 VAL HG2 H 0.801 0.02 2 186 19 21 VAL C C 173.972 0.1 1 187 19 21 VAL CA C 60.581 0.1 1 188 19 21 VAL CB C 35.800 0.1 1 189 19 21 VAL CG1 C 21.416 0.1 1 190 19 21 VAL CG2 C 21.924 0.1 1 191 19 21 VAL N N 124.630 0.1 1 192 20 22 THR H H 8.155 0.02 1 193 20 22 THR HA H 5.237 0.02 1 194 20 22 THR HB H 3.782 0.02 1 195 20 22 THR HG2 H 1.093 0.02 1 196 20 22 THR C C 173.205 0.1 1 197 20 22 THR CA C 61.578 0.1 1 198 20 22 THR CB C 71.714 0.1 1 199 20 22 THR CG2 C 21.797 0.1 1 200 20 22 THR N N 119.277 0.1 1 201 21 23 ILE H H 9.477 0.02 1 202 21 23 ILE HA H 4.626 0.02 1 203 21 23 ILE HB H 1.718 0.02 1 204 21 23 ILE HD1 H 0.662 0.02 1 205 21 23 ILE HG12 H 1.062 0.02 2 206 21 23 ILE HG13 H 1.549 0.02 2 207 21 23 ILE HG2 H 1.269 0.02 1 208 21 23 ILE C C 174.500 0.1 1 209 21 23 ILE CA C 60.845 0.1 1 210 21 23 ILE CB C 42.090 0.1 1 211 21 23 ILE CD1 C 13.686 0.1 1 212 21 23 ILE CG1 C 28.022 0.1 1 213 21 23 ILE CG2 C 18.748 0.1 1 214 21 23 ILE N N 127.300 0.1 1 215 22 24 THR H H 9.162 0.02 1 216 22 24 THR HA H 5.719 0.02 1 217 22 24 THR HB H 4.332 0.02 1 218 22 24 THR HG2 H 1.320 0.02 1 219 22 24 THR C C 175.028 0.1 1 220 22 24 THR CA C 61.255 0.1 1 221 22 24 THR CB C 72.414 0.1 1 222 22 24 THR CG2 C 21.416 0.1 1 223 22 24 THR N N 117.440 0.1 1 224 23 25 CYS H H 9.519 0.02 1 225 23 25 CYS HA H 5.549 0.02 1 226 23 25 CYS HB2 H 2.843 0.02 2 227 23 25 CYS HB3 H 3.125 0.02 2 228 23 25 CYS C C 172.437 0.1 1 229 23 25 CYS CA C 56.155 0.1 1 230 23 25 CYS CB C 49.400 0.1 1 231 23 25 CYS N N 121.413 0.1 1 232 24 26 GLN H H 9.163 0.02 1 233 24 26 GLN HA H 5.809 0.02 1 234 24 26 GLN HB2 H 2.237 0.02 2 235 24 26 GLN HB3 H 2.115 0.02 2 236 24 26 GLN HE21 H 7.963 0.02 2 237 24 26 GLN HE22 H 6.792 0.02 2 238 24 26 GLN HG2 H 2.472 0.02 2 239 24 26 GLN HG3 H 2.512 0.02 2 240 24 26 GLN C C 175.028 0.1 1 241 24 26 GLN CA C 53.811 0.1 1 242 24 26 GLN CB C 32.742 0.1 1 243 24 26 GLN CG C 34.627 0.1 1 244 24 26 GLN N N 123.700 0.1 1 245 24 26 GLN NE2 N 112.271 0.1 1 246 25 27 ALA H H 9.184 0.02 1 247 25 27 ALA HA H 5.609 0.02 1 248 25 27 ALA HB H 1.629 0.02 1 249 25 27 ALA C C 178.626 0.1 1 250 25 27 ALA CA C 50.411 0.1 1 251 25 27 ALA CB C 24.100 0.1 1 252 25 27 ALA N N 128.300 0.1 1 253 26 28 SER H H 8.281 0.02 1 254 26 28 SER HA H 4.387 0.02 1 255 26 28 SER HB2 H 4.178 0.02 2 256 26 28 SER HB3 H 4.078 0.02 2 257 26 28 SER C C 173.492 0.1 1 258 26 28 SER CA C 60.639 0.1 1 259 26 28 SER CB C 63.369 0.1 1 260 26 28 SER N N 113.935 0.1 1 261 27 29 GLN H H 7.470 0.02 1 262 27 29 GLN HA H 4.556 0.02 1 263 27 29 GLN HB2 H 1.928 0.02 2 264 27 29 GLN HB3 H 2.127 0.02 2 265 27 29 GLN HE21 H 7.976 0.02 2 266 27 29 GLN HE22 H 6.852 0.02 2 267 27 29 GLN HG2 H 2.127 0.02 2 268 27 29 GLN HG3 H 2.218 0.02 2 269 27 29 GLN C C 172.341 0.1 1 270 27 29 GLN CA C 53.600 0.1 1 271 27 29 GLN CB C 32.801 0.1 1 272 27 29 GLN CG C 33.132 0.1 1 273 27 29 GLN N N 116.158 0.1 1 274 27 29 GLN NE2 N 114.125 0.1 1 275 28 30 ASP H H 8.143 0.02 1 276 28 30 ASP HA H 4.099 0.02 1 277 28 30 ASP HB2 H 2.544 0.02 2 278 28 30 ASP HB3 H 2.851 0.02 2 279 28 30 ASP C C 177.427 0.1 1 280 28 30 ASP CA C 55.800 0.1 1 281 28 30 ASP CB C 41.600 0.1 1 282 28 30 ASP N N 118.000 0.1 1 283 29 31 ILE H H 8.588 0.02 1 284 29 31 ILE HA H 4.652 0.02 1 285 29 31 ILE HB H 2.377 0.02 1 286 29 31 ILE HD1 H 0.502 0.02 1 287 29 31 ILE HG12 H 1.284 0.02 2 288 29 31 ILE HG13 H 1.284 0.02 2 289 29 31 ILE HG2 H 0.978 0.02 1 290 29 31 ILE C C 175.364 0.1 1 291 29 31 ILE CA C 60.816 0.1 1 292 29 31 ILE CB C 39.000 0.1 1 293 29 31 ILE CD1 C 16.207 0.1 1 294 29 31 ILE CG1 C 26.661 0.1 1 295 29 31 ILE CG2 C 17.859 0.1 1 296 29 31 ILE N N 122.302 0.1 1 297 30 32 ASN H H 9.224 0.02 1 298 30 32 ASN HA H 4.214 0.02 1 299 30 32 ASN HB2 H 2.777 0.02 2 300 30 32 ASN HB3 H 2.684 0.02 2 301 30 32 ASN HD21 H 7.338 0.02 2 302 30 32 ASN HD22 H 6.837 0.02 2 303 30 32 ASN C C 173.396 0.1 1 304 30 32 ASN CA C 55.502 0.1 1 305 30 32 ASN CB C 37.700 0.1 1 306 30 32 ASN N N 120.008 0.1 1 307 30 32 ASN ND2 N 114.174 0.1 1 308 31 33 ASN H H 7.503 0.02 1 309 31 33 ASN HA H 4.903 0.02 1 310 31 33 ASN HB2 H 2.852 0.02 2 311 31 33 ASN HB3 H 2.852 0.02 2 312 31 33 ASN HD21 H 7.217 0.02 2 313 31 33 ASN HD22 H 6.601 0.02 2 314 31 33 ASN C C 175.268 0.1 1 315 31 33 ASN CA C 52.359 0.1 1 316 31 33 ASN CB C 37.958 0.1 1 317 31 33 ASN N N 117.745 0.1 1 318 31 33 ASN ND2 N 110.107 0.1 1 319 32 34 TYR H H 7.942 0.02 1 320 32 34 TYR HA H 4.103 0.02 1 321 32 34 TYR HB2 H 2.641 0.02 2 322 32 34 TYR HB3 H 1.169 0.02 2 323 32 34 TYR HD1 H 7.104 0.02 1 324 32 34 TYR HD2 H 7.104 0.02 1 325 32 34 TYR HE1 H 6.949 0.02 1 326 32 34 TYR HE2 H 6.949 0.02 1 327 32 34 TYR C C 173.588 0.1 1 328 32 34 TYR CA C 56.361 0.1 1 329 32 34 TYR CB C 34.636 0.1 1 330 32 34 TYR CD1 C 133.341 0.1 1 331 32 34 TYR CE1 C 118.329 0.1 1 332 32 34 TYR N N 120.590 0.1 1 333 33 35 LEU H H 7.893 0.02 1 334 33 35 LEU HA H 4.748 0.02 1 335 33 35 LEU HB2 H 0.145 0.02 2 336 33 35 LEU HB3 H 0.779 0.02 2 337 33 35 LEU HD1 H -0.029 0.02 2 338 33 35 LEU HD2 H -0.072 0.02 2 339 33 35 LEU HG H 0.622 0.02 1 340 33 35 LEU C C 175.700 0.1 1 341 33 35 LEU CA C 52.961 0.1 1 342 33 35 LEU CB C 46.400 0.1 1 343 33 35 LEU CD1 C 25.000 0.1 1 344 33 35 LEU CD2 C 24.720 0.1 1 345 33 35 LEU CG C 26.014 0.1 1 346 33 35 LEU N N 125.500 0.1 1 347 34 36 ILE H H 8.752 0.02 1 348 34 36 ILE HA H 4.892 0.02 1 349 34 36 ILE HB H 1.140 0.02 1 350 34 36 ILE HD1 H 0.107 0.02 1 351 34 36 ILE HG12 H 1.781 0.02 2 352 34 36 ILE HG13 H 0.768 0.02 2 353 34 36 ILE HG2 H 0.096 0.02 1 354 34 36 ILE C C 175.843 0.1 1 355 34 36 ILE CA C 59.057 0.1 1 356 34 36 ILE CB C 43.618 0.1 1 357 34 36 ILE CD1 C 14.810 0.1 1 358 34 36 ILE CG1 C 29.896 0.1 1 359 34 36 ILE CG2 C 18.240 0.1 1 360 34 36 ILE N N 127.763 0.1 1 361 35 37 TRP H H 8.114 0.02 1 362 35 37 TRP HA H 5.316 0.02 1 363 35 37 TRP HB2 H 2.683 0.02 2 364 35 37 TRP HB3 H 2.547 0.02 2 365 35 37 TRP HD1 H 6.667 0.02 1 366 35 37 TRP HE1 H 11.544 0.02 1 367 35 37 TRP HE3 H 6.863 0.02 1 368 35 37 TRP HH2 H 6.817 0.02 1 369 35 37 TRP HZ2 H 7.035 0.02 1 370 35 37 TRP HZ3 H 6.708 0.02 1 371 35 37 TRP C C 176.000 0.1 1 372 35 37 TRP CA C 56.000 0.1 1 373 35 37 TRP CB C 32.272 0.1 1 374 35 37 TRP CD1 C 125.576 0.1 1 375 35 37 TRP CE3 C 120.141 0.1 1 376 35 37 TRP CH2 C 126.094 0.1 1 377 35 37 TRP CZ2 C 114.188 0.1 1 378 35 37 TRP CZ3 C 121.694 0.1 1 379 35 37 TRP N N 121.554 0.1 1 380 35 37 TRP NE1 N 134.000 0.1 1 381 36 38 TYR H H 9.616 0.02 1 382 36 38 TYR HA H 5.463 0.02 1 383 36 38 TYR HB2 H 2.797 0.02 2 384 36 38 TYR HB3 H 2.672 0.02 2 385 36 38 TYR HD1 H 6.568 0.02 1 386 36 38 TYR HD2 H 6.568 0.02 1 387 36 38 TYR HE1 H 6.726 0.02 1 388 36 38 TYR HE2 H 6.726 0.02 1 389 36 38 TYR C C 175.172 0.1 1 390 36 38 TYR CA C 57.152 0.1 1 391 36 38 TYR CB C 44.559 0.1 1 392 36 38 TYR CD1 C 132.306 0.1 1 393 36 38 TYR CE1 C 118.847 0.1 1 394 36 38 TYR N N 119.300 0.1 1 395 37 39 GLN H H 9.194 0.02 1 396 37 39 GLN HA H 4.172 0.02 1 397 37 39 GLN HB2 H 1.882 0.02 2 398 37 39 GLN HB3 H 2.196 0.02 2 399 37 39 GLN HE21 H 7.822 0.02 2 400 37 39 GLN HE22 H 8.073 0.02 2 401 37 39 GLN HG2 H 1.517 0.02 2 402 37 39 GLN HG3 H 1.517 0.02 2 403 37 39 GLN C C 174.010 0.1 1 404 37 39 GLN CA C 54.309 0.1 1 405 37 39 GLN CB C 35.073 0.1 1 406 37 39 GLN CG C 35.800 0.1 1 407 37 39 GLN N N 120.527 0.1 1 408 37 39 GLN NE2 N 112.426 0.1 1 409 38 40 GLN H H 9.525 0.02 1 410 38 40 GLN HA H 4.826 0.02 1 411 38 40 GLN HB2 H 2.342 0.02 2 412 38 40 GLN HB3 H 2.342 0.02 2 413 38 40 GLN HE21 H 7.980 0.02 2 414 38 40 GLN HE22 H 7.429 0.02 2 415 38 40 GLN HG2 H 2.145 0.02 2 416 38 40 GLN HG3 H 1.945 0.02 2 417 38 40 GLN C C 175.384 0.1 1 418 38 40 GLN CA C 55.071 0.1 1 419 38 40 GLN CB C 31.500 0.1 1 420 38 40 GLN CG C 34.103 0.1 1 421 38 40 GLN N N 128.647 0.1 1 422 38 40 GLN NE2 N 110.064 0.1 1 423 39 41 LYS H H 9.194 0.02 1 424 39 41 LYS HA H 4.539 0.02 1 425 39 41 LYS HB2 H 1.520 0.02 2 426 39 41 LYS HB3 H 1.992 0.02 2 427 39 41 LYS HD2 H 1.816 0.02 2 428 39 41 LYS HD3 H 1.816 0.02 2 429 39 41 LYS HE2 H 3.129 0.02 2 430 39 41 LYS HE3 H 3.016 0.02 2 431 39 41 LYS HG2 H 1.517 0.02 2 432 39 41 LYS HG3 H 1.517 0.02 2 433 39 41 LYS C C 173.182 0.1 1 434 39 41 LYS CA C 55.500 0.1 1 435 39 41 LYS CB C 31.191 0.1 1 436 39 41 LYS CD C 29.573 0.1 1 437 39 41 LYS CE C 42.191 0.1 1 438 39 41 LYS CG C 26.984 0.1 1 439 39 41 LYS N N 132.971 0.1 1 440 40 42 PRO HA H 4.314 0.02 1 441 40 42 PRO HB2 H 2.323 0.02 2 442 40 42 PRO HB3 H 1.981 0.02 2 443 40 42 PRO HD2 H 3.684 0.02 2 444 40 42 PRO HD3 H 3.838 0.02 2 445 40 42 PRO HG2 H 2.206 0.02 2 446 40 42 PRO HG3 H 2.034 0.02 2 447 40 42 PRO CA C 64.512 0.1 1 448 40 42 PRO CB C 31.838 0.1 1 449 40 42 PRO CD C 50.280 0.1 1 450 40 42 PRO CG C 28.279 0.1 1 451 41 43 GLY HA2 H 4.232 0.02 2 452 41 43 GLY HA3 H 3.785 0.02 2 453 41 43 GLY C C 174.260 0.1 1 454 41 43 GLY CA C 46.023 0.1 1 455 42 44 GLN H H 8.083 0.02 1 456 42 44 GLN HA H 4.947 0.02 1 457 42 44 GLN HB2 H 2.386 0.02 2 458 42 44 GLN HB3 H 2.076 0.02 2 459 42 44 GLN HE21 H 7.621 0.02 2 460 42 44 GLN HE22 H 6.953 0.02 2 461 42 44 GLN HG2 H 2.345 0.02 2 462 42 44 GLN HG3 H 2.345 0.02 2 463 42 44 GLN C C 175.020 0.1 1 464 42 44 GLN CA C 54.221 0.1 1 465 42 44 GLN CB C 32.507 0.1 1 466 42 44 GLN CG C 34.119 0.1 1 467 42 44 GLN N N 119.261 0.1 1 468 42 44 GLN NE2 N 112.260 0.1 1 469 43 45 ALA H H 8.386 0.02 1 470 43 45 ALA HA H 4.160 0.02 1 471 43 45 ALA HB H 1.354 0.02 1 472 43 45 ALA C C 175.505 0.1 1 473 43 45 ALA CA C 50.280 0.1 1 474 43 45 ALA CB C 18.286 0.1 1 475 43 45 ALA N N 120.919 0.1 1 476 44 46 PRO HA H 4.055 0.02 1 477 44 46 PRO HB2 H 0.588 0.02 2 478 44 46 PRO HB3 H 1.069 0.02 2 479 44 46 PRO HD2 H 2.443 0.02 2 480 44 46 PRO HD3 H 1.427 0.02 2 481 44 46 PRO HG2 H 0.584 0.02 2 482 44 46 PRO HG3 H -0.016 0.02 2 483 44 46 PRO C C 174.212 0.1 1 484 44 46 PRO CA C 62.978 0.1 1 485 44 46 PRO CB C 30.904 0.1 1 486 44 46 PRO CD C 48.986 0.1 1 487 44 46 PRO CG C 26.337 0.1 1 488 45 47 LYS H H 9.085 0.02 1 489 45 47 LYS HA H 4.697 0.02 1 490 45 47 LYS HB2 H 1.939 0.02 2 491 45 47 LYS HB3 H 2.117 0.02 2 492 45 47 LYS HD2 H 1.887 0.02 2 493 45 47 LYS HD3 H 1.808 0.02 2 494 45 47 LYS HE2 H 3.160 0.02 2 495 45 47 LYS HE3 H 3.091 0.02 2 496 45 47 LYS HG2 H 1.625 0.02 2 497 45 47 LYS HG3 H 1.433 0.02 2 498 45 47 LYS C C 175.707 0.1 1 499 45 47 LYS CA C 55.159 0.1 1 500 45 47 LYS CB C 35.799 0.1 1 501 45 47 LYS CD C 29.600 0.1 1 502 45 47 LYS CE C 42.800 0.1 1 503 45 47 LYS CG C 25.400 0.1 1 504 45 47 LYS N N 123.672 0.1 1 505 46 48 LEU H H 9.103 0.02 1 506 46 48 LEU HA H 3.882 0.02 1 507 46 48 LEU HB2 H 1.862 0.02 2 508 46 48 LEU HB3 H 1.862 0.02 2 509 46 48 LEU HD1 H 0.807 0.02 2 510 46 48 LEU HD2 H 0.844 0.02 2 511 46 48 LEU HG H 1.467 0.02 1 512 46 48 LEU C C 175.173 0.1 1 513 46 48 LEU CA C 59.100 0.1 1 514 46 48 LEU CB C 42.200 0.1 1 515 46 48 LEU CD1 C 26.014 0.1 1 516 46 48 LEU CD2 C 28.926 0.1 1 517 46 48 LEU CG C 27.955 0.1 1 518 46 48 LEU N N 131.133 0.1 1 519 47 49 LEU H H 9.095 0.02 1 520 47 49 LEU HA H 4.960 0.02 1 521 47 49 LEU HB2 H 1.847 0.02 2 522 47 49 LEU HB3 H 1.444 0.02 2 523 47 49 LEU HD1 H 0.714 0.02 2 524 47 49 LEU HD2 H 0.759 0.02 2 525 47 49 LEU HG H 1.522 0.02 1 526 47 49 LEU C C 175.508 0.1 1 527 47 49 LEU CA C 55.476 0.1 1 528 47 49 LEU CB C 45.200 0.1 1 529 47 49 LEU CD1 C 27.300 0.1 1 530 47 49 LEU CD2 C 22.178 0.1 1 531 47 49 LEU CG C 27.900 0.1 1 532 47 49 LEU N N 124.239 0.1 1 533 48 50 ILE H H 7.334 0.02 1 534 48 50 ILE HA H 5.273 0.02 1 535 48 50 ILE HB H 1.712 0.02 1 536 48 50 ILE HD1 H 0.786 0.02 1 537 48 50 ILE HG12 H 1.149 0.02 2 538 48 50 ILE HG13 H 1.654 0.02 2 539 48 50 ILE HG2 H 0.822 0.02 1 540 48 50 ILE C C 174.644 0.1 1 541 48 50 ILE CA C 58.530 0.1 1 542 48 50 ILE CB C 44.734 0.1 1 543 48 50 ILE CD1 C 14.175 0.1 1 544 48 50 ILE CG1 C 28.800 0.1 1 545 48 50 ILE CG2 C 17.605 0.1 1 546 48 50 ILE N N 117.200 0.1 1 547 49 51 TYR H H 9.079 0.02 1 548 49 51 TYR HA H 5.402 0.02 1 549 49 51 TYR HB2 H 2.866 0.02 2 550 49 51 TYR HB3 H 2.684 0.02 2 551 49 51 TYR HD1 H 6.897 0.02 1 552 49 51 TYR HD2 H 6.897 0.02 1 553 49 51 TYR HE1 H 6.722 0.02 1 554 49 51 TYR HE2 H 6.722 0.02 1 555 49 51 TYR C C 172.485 0.1 1 556 49 51 TYR CA C 55.364 0.1 1 557 49 51 TYR CB C 40.678 0.1 1 558 49 51 TYR CD1 C 133.859 0.1 1 559 49 51 TYR CE1 C 118.000 0.1 1 560 49 51 TYR N N 121.662 0.1 1 561 50 52 ASP H H 8.674 0.02 1 562 50 52 ASP HA H 5.132 0.02 1 563 50 52 ASP HB2 H 2.700 0.02 2 564 50 52 ASP HB3 H 3.170 0.02 2 565 50 52 ASP C C 179.058 0.1 1 566 50 52 ASP CA C 56.302 0.1 1 567 50 52 ASP CB C 40.343 0.1 1 568 50 52 ASP N N 119.859 0.1 1 569 51 53 ALA H H 9.025 0.02 1 570 51 53 ALA HA H 3.757 0.02 1 571 51 53 ALA HB H 1.930 0.02 1 572 51 53 ALA C C 179.490 0.1 1 573 51 53 ALA CA C 57.800 0.1 1 574 51 53 ALA CB C 19.386 0.1 1 575 51 53 ALA N N 114.075 0.1 1 576 52 54 SER H H 8.675 0.02 1 577 52 54 SER HA H 4.869 0.02 1 578 52 54 SER HB2 H 4.230 0.02 2 579 52 54 SER HB3 H 3.863 0.02 2 580 52 54 SER C C 175.268 0.1 1 581 52 54 SER CA C 57.898 0.1 1 582 52 54 SER CB C 66.814 0.1 1 583 52 54 SER N N 111.188 0.1 1 584 53 55 THR H H 9.045 0.02 1 585 53 55 THR HA H 4.255 0.02 1 586 53 55 THR HB H 3.214 0.02 1 587 53 55 THR HG2 H 0.888 0.02 1 588 53 55 THR C C 172.149 0.1 1 589 53 55 THR CA C 63.500 0.1 1 590 53 55 THR CB C 68.600 0.1 1 591 53 55 THR CG2 C 23.100 0.1 1 592 53 55 THR N N 123.672 0.1 1 593 54 56 LEU H H 8.484 0.02 1 594 54 56 LEU HA H 4.571 0.02 1 595 54 56 LEU HB2 H 1.605 0.02 2 596 54 56 LEU HB3 H 1.828 0.02 2 597 54 56 LEU HD1 H 0.998 0.02 2 598 54 56 LEU HD2 H 1.050 0.02 2 599 54 56 LEU HG H 1.782 0.02 1 600 54 56 LEU C C 177.955 0.1 1 601 54 56 LEU CA C 55.774 0.1 1 602 54 56 LEU CB C 43.500 0.1 1 603 54 56 LEU CD1 C 24.973 0.1 1 604 54 56 LEU CD2 C 24.800 0.1 1 605 54 56 LEU CG C 29.249 0.1 1 606 54 56 LEU N N 129.316 0.1 1 607 55 57 GLU H H 8.082 0.02 1 608 55 57 GLU HA H 4.734 0.02 1 609 55 57 GLU HB2 H 1.830 0.02 2 610 55 57 GLU HB3 H 2.027 0.02 2 611 55 57 GLU HG2 H 2.697 0.02 2 612 55 57 GLU HG3 H 2.396 0.02 2 613 55 57 GLU C C 176.179 0.1 1 614 55 57 GLU CA C 55.979 0.1 1 615 55 57 GLU CB C 30.626 0.1 1 616 55 57 GLU CG C 36.400 0.1 1 617 55 57 GLU N N 126.000 0.1 1 618 56 58 THR H H 8.454 0.02 1 619 56 58 THR HA H 4.051 0.02 1 620 56 58 THR HB H 4.129 0.02 1 621 56 58 THR HG2 H 1.348 0.02 1 622 56 58 THR C C 175.652 0.1 1 623 56 58 THR CA C 64.978 0.1 1 624 56 58 THR CB C 69.369 0.1 1 625 56 58 THR CG2 C 21.670 0.1 1 626 56 58 THR N N 120.402 0.1 1 627 57 59 GLY H H 8.983 0.02 1 628 57 59 GLY HA2 H 4.288 0.02 2 629 57 59 GLY HA3 H 3.813 0.02 2 630 57 59 GLY C C 174.548 0.1 1 631 57 59 GLY CA C 45.500 0.1 1 632 57 59 GLY N N 114.813 0.1 1 633 58 60 VAL H H 7.738 0.02 1 634 58 60 VAL HA H 4.398 0.02 1 635 58 60 VAL HB H 2.408 0.02 1 636 58 60 VAL HG1 H 1.323 0.02 2 637 58 60 VAL HG2 H 1.266 0.02 2 638 58 60 VAL C C 174.417 0.1 1 639 58 60 VAL CA C 60.957 0.1 1 640 58 60 VAL CB C 33.132 0.1 1 641 58 60 VAL CG1 C 22.778 0.1 1 642 58 60 VAL CG2 C 23.749 0.1 1 643 58 60 VAL N N 125.000 0.1 1 644 59 61 PRO HA H 4.532 0.02 1 645 59 61 PRO HB2 H 1.768 0.02 2 646 59 61 PRO HB3 H 2.491 0.02 2 647 59 61 PRO HD2 H 3.792 0.02 2 648 59 61 PRO HD3 H 4.151 0.02 2 649 59 61 PRO HG2 H 2.147 0.02 2 650 59 61 PRO HG3 H 2.044 0.02 2 651 59 61 PRO C C 176.707 0.1 1 652 59 61 PRO CA C 63.628 0.1 1 653 59 61 PRO CB C 33.854 0.1 1 654 59 61 PRO CD C 51.600 0.1 1 655 59 61 PRO CG C 27.700 0.1 1 656 60 62 SER H H 8.419 0.02 1 657 60 62 SER HA H 4.324 0.02 1 658 60 62 SER HB2 H 4.158 0.02 2 659 60 62 SER HB3 H 4.017 0.02 2 660 60 62 SER C C 174.692 0.1 1 661 60 62 SER CA C 60.000 0.1 1 662 60 62 SER CB C 63.300 0.1 1 663 60 62 SER N N 114.139 0.1 1 664 61 63 ARG H H 6.918 0.02 1 665 61 63 ARG HA H 4.318 0.02 1 666 61 63 ARG HB2 H 1.720 0.02 2 667 61 63 ARG HB3 H 1.790 0.02 2 668 61 63 ARG HD2 H 3.182 0.02 2 669 61 63 ARG HD3 H 3.119 0.02 2 670 61 63 ARG HG2 H 1.523 0.02 2 671 61 63 ARG HG3 H 1.307 0.02 2 672 61 63 ARG C C 175.364 0.1 1 673 61 63 ARG CA C 56.771 0.1 1 674 61 63 ARG CB C 29.896 0.1 1 675 61 63 ARG CD C 42.515 0.1 1 676 61 63 ARG CG C 27.632 0.1 1 677 61 63 ARG N N 116.026 0.1 1 678 62 64 PHE H H 7.725 0.02 1 679 62 64 PHE HA H 5.101 0.02 1 680 62 64 PHE HB2 H 3.216 0.02 2 681 62 64 PHE HB3 H 2.761 0.02 2 682 62 64 PHE HD1 H 7.254 0.02 1 683 62 64 PHE HD2 H 7.254 0.02 1 684 62 64 PHE HE1 H 7.322 0.02 1 685 62 64 PHE HE2 H 7.322 0.02 1 686 62 64 PHE HZ H 7.505 0.02 1 687 62 64 PHE C C 174.212 0.1 1 688 62 64 PHE CA C 56.126 0.1 1 689 62 64 PHE CB C 39.914 0.1 1 690 62 64 PHE CD1 C 131.788 0.1 1 691 62 64 PHE CE1 C 131.012 0.1 1 692 62 64 PHE CZ C 130.700 0.1 1 693 62 64 PHE N N 121.900 0.1 1 694 63 65 SER H H 8.362 0.02 1 695 63 65 SER HA H 4.598 0.02 1 696 63 65 SER HB2 H 3.800 0.02 2 697 63 65 SER HB3 H 3.800 0.02 2 698 63 65 SER C C 171.861 0.1 1 699 63 65 SER CA C 58.000 0.1 1 700 63 65 SER CB C 66.309 0.1 1 701 63 65 SER N N 111.581 0.1 1 702 64 66 GLY H H 8.759 0.02 1 703 64 66 GLY HA2 H 5.379 0.02 2 704 64 66 GLY HA3 H 3.964 0.02 2 705 64 66 GLY C C 172.965 0.1 1 706 64 66 GLY CA C 44.607 0.1 1 707 64 66 GLY N N 107.681 0.1 1 708 65 67 SER H H 9.112 0.02 1 709 65 67 SER HA H 4.893 0.02 1 710 65 67 SER HB2 H 3.800 0.02 2 711 65 67 SER HB3 H 3.901 0.02 2 712 65 67 SER C C 174.356 0.1 1 713 65 67 SER CA C 57.327 0.1 1 714 65 67 SER CB C 66.214 0.1 1 715 65 67 SER N N 114.425 0.1 1 716 66 68 GLY H H 8.468 0.02 1 717 66 68 GLY HA2 H 4.956 0.02 2 718 66 68 GLY HA3 H 3.832 0.02 2 719 66 68 GLY C C 171.861 0.1 1 720 66 68 GLY CA C 45.200 0.1 1 721 66 68 GLY N N 111.600 0.1 1 722 67 69 SER H H 7.030 0.02 1 723 67 69 SER HA H 4.446 0.02 1 724 67 69 SER HB2 H 3.778 0.02 2 725 67 69 SER HB3 H 3.778 0.02 2 726 67 69 SER C C 174.452 0.1 1 727 67 69 SER CA C 58.441 0.1 1 728 67 69 SER CB C 64.914 0.1 1 729 67 69 SER N N 109.300 0.1 1 730 68 70 GLY H H 9.097 0.02 1 731 68 70 GLY HA2 H 4.258 0.02 2 732 68 70 GLY HA3 H 4.035 0.02 2 733 68 70 GLY C C 172.917 0.1 1 734 68 70 GLY CA C 47.393 0.1 1 735 68 70 GLY N N 112.566 0.1 1 736 69 71 THR H H 8.228 0.02 1 737 69 71 THR HA H 4.824 0.02 1 738 69 71 THR HB H 4.874 0.02 1 739 69 71 THR HG2 H 1.018 0.02 1 740 69 71 THR C C 174.356 0.1 1 741 69 71 THR CA C 61.519 0.1 1 742 69 71 THR CB C 71.129 0.1 1 743 69 71 THR CG2 C 21.162 0.1 1 744 69 71 THR N N 112.926 0.1 1 745 70 72 GLU H H 7.062 0.02 1 746 70 72 GLU HA H 5.024 0.02 1 747 70 72 GLU HB2 H 2.005 0.02 2 748 70 72 GLU HB3 H 1.918 0.02 2 749 70 72 GLU HG2 H 2.270 0.02 2 750 70 72 GLU HG3 H 2.184 0.02 2 751 70 72 GLU C C 174.068 0.1 1 752 70 72 GLU CA C 56.683 0.1 1 753 70 72 GLU CB C 32.919 0.1 1 754 70 72 GLU CG C 36.787 0.1 1 755 70 72 GLU N N 121.600 0.1 1 756 71 73 PHE H H 8.897 0.02 1 757 71 73 PHE HA H 5.326 0.02 1 758 71 73 PHE HB2 H 2.883 0.02 2 759 71 73 PHE HB3 H 3.689 0.02 2 760 71 73 PHE HD1 H 6.893 0.02 1 761 71 73 PHE HD2 H 6.893 0.02 1 762 71 73 PHE HE1 H 7.279 0.02 1 763 71 73 PHE HE2 H 7.279 0.02 1 764 71 73 PHE C C 175.939 0.1 1 765 71 73 PHE CA C 57.357 0.1 1 766 71 73 PHE CB C 43.500 0.1 1 767 71 73 PHE CD1 C 130.753 0.1 1 768 71 73 PHE CE1 C 129.977 0.1 1 769 71 73 PHE N N 123.395 0.1 1 770 72 74 THR H H 9.046 0.02 1 771 72 74 THR HA H 5.462 0.02 1 772 72 74 THR HB H 3.926 0.02 1 773 72 74 THR HG2 H 1.128 0.02 1 774 72 74 THR C C 172.053 0.1 1 775 72 74 THR CA C 61.313 0.1 1 776 72 74 THR CB C 72.614 0.1 1 777 72 74 THR CG2 C 21.797 0.1 1 778 72 74 THR N N 115.454 0.1 1 779 73 75 PHE H H 9.050 0.02 1 780 73 75 PHE HA H 4.798 0.02 1 781 73 75 PHE HB2 H 1.240 0.02 2 782 73 75 PHE HB3 H 0.160 0.02 2 783 73 75 PHE HE1 H 6.143 0.02 1 784 73 75 PHE HE2 H 6.143 0.02 1 785 73 75 PHE HZ H 6.331 0.02 1 786 73 75 PHE C C 173.444 0.1 1 787 73 75 PHE CA C 55.540 0.1 1 788 73 75 PHE CB C 39.300 0.1 1 789 73 75 PHE CE1 C 131.012 0.1 1 790 73 75 PHE CZ C 128.941 0.1 1 791 73 75 PHE N N 128.473 0.1 1 792 74 76 THR H H 8.349 0.02 1 793 74 76 THR HA H 5.105 0.02 1 794 74 76 THR HB H 3.478 0.02 1 795 74 76 THR HG2 H 0.827 0.02 1 796 74 76 THR C C 172.923 0.1 1 797 74 76 THR CA C 60.400 0.1 1 798 74 76 THR CB C 72.014 0.1 1 799 74 76 THR CG2 C 20.837 0.1 1 800 74 76 THR N N 122.400 0.1 1 801 75 77 ILE H H 8.412 0.02 1 802 75 77 ILE HA H 4.286 0.02 1 803 75 77 ILE HB H 1.446 0.02 1 804 75 77 ILE HD1 H 0.500 0.02 1 805 75 77 ILE HG12 H 0.517 0.02 2 806 75 77 ILE HG13 H 0.975 0.02 2 807 75 77 ILE HG2 H 0.494 0.02 1 808 75 77 ILE C C 176.707 0.1 1 809 75 77 ILE CA C 60.229 0.1 1 810 75 77 ILE CB C 39.300 0.1 1 811 75 77 ILE CD1 C 13.386 0.1 1 812 75 77 ILE CG1 C 26.337 0.1 1 813 75 77 ILE CG2 C 17.224 0.1 1 814 75 77 ILE N N 123.807 0.1 1 815 76 78 SER H H 9.193 0.02 1 816 76 78 SER HA H 3.902 0.02 1 817 76 78 SER HB2 H 3.818 0.02 2 818 76 78 SER HB3 H 3.818 0.02 2 819 76 78 SER C C 174.260 0.1 1 820 76 78 SER CA C 60.992 0.1 1 821 76 78 SER CB C 62.919 0.1 1 822 76 78 SER N N 121.707 0.1 1 823 77 79 SER H H 6.223 0.02 1 824 77 79 SER HA H 3.990 0.02 1 825 77 79 SER HB2 H 3.641 0.02 2 826 77 79 SER HB3 H 3.641 0.02 2 827 77 79 SER C C 174.068 0.1 1 828 77 79 SER CA C 56.684 0.1 1 829 77 79 SER CB C 62.600 0.1 1 830 77 79 SER N N 113.400 0.1 1 831 78 80 LEU H H 9.001 0.02 1 832 78 80 LEU HA H 4.000 0.02 1 833 78 80 LEU HB2 H 1.476 0.02 2 834 78 80 LEU HB3 H 1.882 0.02 2 835 78 80 LEU HD1 H 0.977 0.02 2 836 78 80 LEU HD2 H 0.709 0.02 2 837 78 80 LEU HG H 1.553 0.02 1 838 78 80 LEU C C 176.515 0.1 1 839 78 80 LEU CA C 57.152 0.1 1 840 78 80 LEU CB C 42.900 0.1 1 841 78 80 LEU CD1 C 26.900 0.1 1 842 78 80 LEU CD2 C 26.900 0.1 1 843 78 80 LEU CG C 26.700 0.1 1 844 78 80 LEU N N 127.974 0.1 1 845 79 81 GLN H H 9.099 0.02 1 846 79 81 GLN HA H 4.955 0.02 1 847 79 81 GLN HB2 H 2.522 0.02 2 848 79 81 GLN HB3 H 1.599 0.02 2 849 79 81 GLN HE21 H 6.960 0.02 2 850 79 81 GLN HE22 H 6.839 0.02 2 851 79 81 GLN HG2 H 2.545 0.02 2 852 79 81 GLN HG3 H 2.273 0.02 2 853 79 81 GLN C C 174.786 0.1 1 854 79 81 GLN CA C 52.868 0.1 1 855 79 81 GLN CB C 29.573 0.1 1 856 79 81 GLN CG C 33.132 0.1 1 857 79 81 GLN N N 125.700 0.1 1 858 79 81 GLN NE2 N 114.104 0.1 1 859 80 82 PRO HA H 4.101 0.02 1 860 80 82 PRO HB2 H 2.460 0.02 2 861 80 82 PRO HB3 H 2.069 0.02 2 862 80 82 PRO HD2 H 3.968 0.02 2 863 80 82 PRO HD3 H 3.723 0.02 2 864 80 82 PRO HG2 H 2.028 0.02 2 865 80 82 PRO HG3 H 2.357 0.02 2 866 80 82 PRO C C 178.722 0.1 1 867 80 82 PRO CA C 66.582 0.1 1 868 80 82 PRO CB C 32.101 0.1 1 869 80 82 PRO CD C 50.280 0.1 1 870 80 82 PRO CG C 28.279 0.1 1 871 81 83 GLU H H 9.548 0.02 1 872 81 83 GLU HA H 4.412 0.02 1 873 81 83 GLU HB2 H 2.262 0.02 2 874 81 83 GLU HB3 H 2.170 0.02 2 875 81 83 GLU HG2 H 2.353 0.02 2 876 81 83 GLU HG3 H 2.232 0.02 2 877 81 83 GLU C C 176.313 0.1 1 878 81 83 GLU CA C 57.915 0.1 1 879 81 83 GLU CB C 28.451 0.1 1 880 81 83 GLU CG C 35.771 0.1 1 881 81 83 GLU N N 114.700 0.1 1 882 82 84 ASP H H 8.352 0.02 1 883 82 84 ASP HA H 4.697 0.02 1 884 82 84 ASP HB2 H 3.148 0.02 2 885 82 84 ASP HB3 H 3.035 0.02 2 886 82 84 ASP C C 177.475 0.1 1 887 82 84 ASP CA C 54.660 0.1 1 888 82 84 ASP CB C 40.900 0.1 1 889 82 84 ASP N N 120.836 0.1 1 890 83 85 LEU H H 7.191 0.02 1 891 83 85 LEU HA H 4.115 0.02 1 892 83 85 LEU HB2 H 1.958 0.02 2 893 83 85 LEU HB3 H 1.860 0.02 2 894 83 85 LEU HD1 H 1.186 0.02 2 895 83 85 LEU HD2 H 0.974 0.02 2 896 83 85 LEU HG H 1.952 0.02 1 897 83 85 LEU C C 175.172 0.1 1 898 83 85 LEU CA C 58.032 0.1 1 899 83 85 LEU CB C 41.600 0.1 1 900 83 85 LEU CD1 C 26.014 0.1 1 901 83 85 LEU CD2 C 24.592 0.1 1 902 83 85 LEU CG C 27.300 0.1 1 903 83 85 LEU N N 122.669 0.1 1 904 84 86 ALA H H 7.822 0.02 1 905 84 86 ALA HA H 4.420 0.02 1 906 84 86 ALA HB H 1.043 0.02 1 907 84 86 ALA C C 175.364 0.1 1 908 84 86 ALA CA C 52.300 0.1 1 909 84 86 ALA CB C 20.886 0.1 1 910 84 86 ALA N N 126.545 0.1 1 911 85 87 THR H H 7.832 0.02 1 912 85 87 THR HA H 5.294 0.02 1 913 85 87 THR HB H 3.835 0.02 1 914 85 87 THR HG2 H 0.621 0.02 1 915 85 87 THR C C 172.960 0.1 1 916 85 87 THR CA C 62.163 0.1 1 917 85 87 THR CB C 69.414 0.1 1 918 85 87 THR CG2 C 20.781 0.1 1 919 85 87 THR N N 114.400 0.1 1 920 86 88 TYR H H 8.623 0.02 1 921 86 88 TYR HA H 5.313 0.02 1 922 86 88 TYR HB2 H 2.554 0.02 2 923 86 88 TYR HB3 H 2.611 0.02 2 924 86 88 TYR HD1 H 6.824 0.02 1 925 86 88 TYR HD2 H 6.824 0.02 1 926 86 88 TYR HE1 H 6.774 0.02 1 927 86 88 TYR HE2 H 6.774 0.02 1 928 86 88 TYR HH H 10.619 0.02 1 929 86 88 TYR C C 176.707 0.1 1 930 86 88 TYR CA C 56.500 0.1 1 931 86 88 TYR CB C 41.600 0.1 1 932 86 88 TYR CD1 C 133.600 0.1 1 933 86 88 TYR CE1 C 117.553 0.1 1 934 86 88 TYR N N 124.630 0.1 1 935 87 89 TYR H H 9.036 0.02 1 936 87 89 TYR HA H 5.532 0.02 1 937 87 89 TYR HB2 H 3.435 0.02 2 938 87 89 TYR HB3 H 2.625 0.02 2 939 87 89 TYR HD1 H 7.110 0.02 1 940 87 89 TYR HD2 H 7.110 0.02 1 941 87 89 TYR HE1 H 6.740 0.02 1 942 87 89 TYR HE2 H 6.740 0.02 1 943 87 89 TYR C C 174.836 0.1 1 944 87 89 TYR CA C 58.100 0.1 1 945 87 89 TYR CB C 45.800 0.1 1 946 87 89 TYR CD1 C 132.047 0.1 1 947 87 89 TYR CE1 C 118.847 0.1 1 948 87 89 TYR N N 119.084 0.1 1 949 88 90 CYS H H 7.482 0.02 1 950 88 90 CYS HA H 5.458 0.02 1 951 88 90 CYS HB2 H 2.353 0.02 2 952 88 90 CYS HB3 H 1.169 0.02 2 953 88 90 CYS C C 172.773 0.1 1 954 88 90 CYS CA C 52.375 0.1 1 955 88 90 CYS CB C 45.750 0.1 1 956 88 90 CYS N N 114.893 0.1 1 957 89 91 GLN H H 8.761 0.02 1 958 89 91 GLN HA H 4.909 0.02 1 959 89 91 GLN HB2 H 1.186 0.02 2 960 89 91 GLN HB3 H 1.768 0.02 2 961 89 91 GLN HE21 H 6.025 0.02 2 962 89 91 GLN HE22 H 6.025 0.02 2 963 89 91 GLN HG2 H 0.882 0.02 2 964 89 91 GLN HG3 H 1.663 0.02 2 965 89 91 GLN C C 174.548 0.1 1 966 89 91 GLN CA C 54.514 0.1 1 967 89 91 GLN CB C 32.808 0.1 1 968 89 91 GLN CG C 33.779 0.1 1 969 89 91 GLN N N 121.900 0.1 1 970 89 91 GLN NE2 N 111.908 0.1 1 971 90 92 GLN H H 8.190 0.02 1 972 90 92 GLN HA H 5.325 0.02 1 973 90 92 GLN HB2 H 2.580 0.02 2 974 90 92 GLN HB3 H 1.960 0.02 2 975 90 92 GLN HE21 H 7.355 0.02 2 976 90 92 GLN HE22 H 7.528 0.02 2 977 90 92 GLN HG2 H 2.251 0.02 2 978 90 92 GLN HG3 H 2.914 0.02 2 979 90 92 GLN C C 175.172 0.1 1 980 90 92 GLN CA C 53.137 0.1 1 981 90 92 GLN CB C 28.900 0.1 1 982 90 92 GLN CG C 31.514 0.1 1 983 90 92 GLN N N 125.000 0.1 1 984 90 92 GLN NE2 N 110.444 0.1 1 985 91 93 TYR H H 7.860 0.02 1 986 91 93 TYR HA H 4.243 0.02 1 987 91 93 TYR HB2 H 2.520 0.02 2 988 91 93 TYR HB3 H 1.426 0.02 2 989 91 93 TYR HD1 H 6.748 0.02 1 990 91 93 TYR HD2 H 6.748 0.02 1 991 91 93 TYR HE1 H 6.657 0.02 1 992 91 93 TYR HE2 H 6.657 0.02 1 993 91 93 TYR C C 174.212 0.1 1 994 91 93 TYR CA C 55.200 0.1 1 995 91 93 TYR CB C 36.035 0.1 1 996 91 93 TYR CD1 C 134.894 0.1 1 997 91 93 TYR CE1 C 118.070 0.1 1 998 91 93 TYR N N 118.082 0.1 1 999 92 94 ASP H H 8.683 0.02 1 1000 92 94 ASP HA H 4.196 0.02 1 1001 92 94 ASP HB2 H 2.662 0.02 2 1002 92 94 ASP HB3 H 2.954 0.02 2 1003 92 94 ASP C C 176.803 0.1 1 1004 92 94 ASP CA C 56.800 0.1 1 1005 92 94 ASP CB C 43.500 0.1 1 1006 92 94 ASP N N 122.100 0.1 1 1007 93 95 ASN H H 8.226 0.02 1 1008 93 95 ASN HA H 4.910 0.02 1 1009 93 95 ASN HB2 H 2.563 0.02 2 1010 93 95 ASN HB3 H 2.657 0.02 2 1011 93 95 ASN HD21 H 7.649 0.02 2 1012 93 95 ASN HD22 H 6.656 0.02 2 1013 93 95 ASN C C 173.540 0.1 1 1014 93 95 ASN CA C 52.405 0.1 1 1015 93 95 ASN CB C 43.500 0.1 1 1016 93 95 ASN N N 113.400 0.1 1 1017 93 95 ASN ND2 N 113.657 0.1 1 1018 94 96 LEU H H 8.269 0.02 1 1019 94 96 LEU HA H 3.678 0.02 1 1020 94 96 LEU HB2 H 1.280 0.02 2 1021 94 96 LEU HB3 H 0.340 0.02 2 1022 94 96 LEU HD1 H 0.576 0.02 2 1023 94 96 LEU HD2 H -0.459 0.02 2 1024 94 96 LEU HG H 1.045 0.02 1 1025 94 96 LEU C C 175.320 0.1 1 1026 94 96 LEU CA C 53.192 0.1 1 1027 94 96 LEU CB C 42.191 0.1 1 1028 94 96 LEU CD1 C 25.600 0.1 1 1029 94 96 LEU CD2 C 22.778 0.1 1 1030 94 96 LEU CG C 27.308 0.1 1 1031 94 96 LEU N N 123.400 0.1 1 1032 95 97 PRO HA H 3.449 0.02 1 1033 95 97 PRO HB2 H 2.029 0.02 2 1034 95 97 PRO HB3 H 2.029 0.02 2 1035 95 97 PRO HD2 H 3.215 0.02 2 1036 95 97 PRO HD3 H 3.773 0.02 2 1037 95 97 PRO HG2 H 2.032 0.02 2 1038 95 97 PRO HG3 H 2.032 0.02 2 1039 95 97 PRO CA C 61.927 0.1 1 1040 95 97 PRO CB C 34.750 0.1 1 1041 95 97 PRO CD C 50.603 0.1 1 1042 95 97 PRO CG C 24.720 0.1 1 1043 96 98 TYR H H 5.290 0.02 1 1044 96 98 TYR HA H 5.074 0.02 1 1045 96 98 TYR HB2 H 2.754 0.02 2 1046 96 98 TYR HB3 H 3.288 0.02 2 1047 96 98 TYR HD1 H 6.648 0.02 1 1048 96 98 TYR HD2 H 6.648 0.02 1 1049 96 98 TYR HE1 H 6.020 0.02 1 1050 96 98 TYR HE2 H 6.020 0.02 1 1051 96 98 TYR C C 175.795 0.1 1 1052 96 98 TYR CA C 55.457 0.1 1 1053 96 98 TYR CB C 36.700 0.1 1 1054 96 98 TYR CD1 C 131.271 0.1 1 1055 96 98 TYR CE1 C 118.847 0.1 1 1056 96 98 TYR N N 122.184 0.1 1 1057 97 99 THR H H 7.254 0.02 1 1058 97 99 THR HA H 4.898 0.02 1 1059 97 99 THR HB H 4.626 0.02 1 1060 97 99 THR HG2 H 1.497 0.02 1 1061 97 99 THR C C 173.205 0.1 1 1062 97 99 THR CA C 60.113 0.1 1 1063 97 99 THR CB C 72.314 0.1 1 1064 97 99 THR CG2 C 24.211 0.1 1 1065 97 99 THR N N 111.900 0.1 1 1066 98 100 PHE H H 8.779 0.02 1 1067 98 100 PHE HA H 5.384 0.02 1 1068 98 100 PHE HB2 H 2.943 0.02 2 1069 98 100 PHE HB3 H 3.709 0.02 2 1070 98 100 PHE HD1 H 7.109 0.02 1 1071 98 100 PHE HD2 H 7.109 0.02 1 1072 98 100 PHE HE1 H 6.628 0.02 1 1073 98 100 PHE HE2 H 6.628 0.02 1 1074 98 100 PHE HZ H 6.235 0.02 1 1075 98 100 PHE C C 179.682 0.1 1 1076 98 100 PHE CA C 57.240 0.1 1 1077 98 100 PHE CB C 43.559 0.1 1 1078 98 100 PHE CD1 C 132.047 0.1 1 1079 98 100 PHE CE1 C 131.012 0.1 1 1080 98 100 PHE CZ C 128.682 0.1 1 1081 98 100 PHE N N 120.867 0.1 1 1082 99 101 GLY H H 8.922 0.02 1 1083 99 101 GLY HA2 H 4.395 0.02 2 1084 99 101 GLY HA3 H 4.395 0.02 2 1085 99 101 GLY C C 173.396 0.1 1 1086 99 101 GLY CA C 45.135 0.1 1 1087 99 101 GLY N N 107.500 0.1 1 1088 100 102 GLN H H 8.474 0.02 1 1089 100 102 GLN HA H 4.454 0.02 1 1090 100 102 GLN HB2 H 2.495 0.02 2 1091 100 102 GLN HB3 H 2.606 0.02 2 1092 100 102 GLN HE21 H 7.825 0.02 2 1093 100 102 GLN HE22 H 7.381 0.02 2 1094 100 102 GLN HG2 H 2.869 0.02 2 1095 100 102 GLN HG3 H 2.869 0.02 2 1096 100 102 GLN C C 177.283 0.1 1 1097 100 102 GLN CA C 58.852 0.1 1 1098 100 102 GLN CB C 28.300 0.1 1 1099 100 102 GLN CG C 34.119 0.1 1 1100 100 102 GLN N N 113.400 0.1 1 1101 100 102 GLN NE2 N 112.973 0.1 1 1102 101 103 GLY H H 7.088 0.02 1 1103 101 103 GLY HA2 H 3.697 0.02 2 1104 101 103 GLY HA3 H 4.004 0.02 2 1105 101 103 GLY C C 172.677 0.1 1 1106 101 103 GLY CA C 45.832 0.1 1 1107 101 103 GLY N N 106.701 0.1 1 1108 102 104 THR H H 7.986 0.02 1 1109 102 104 THR HA H 4.780 0.02 1 1110 102 104 THR HB H 3.735 0.02 1 1111 102 104 THR HG2 H 1.032 0.02 1 1112 102 104 THR C C 174.051 0.1 1 1113 102 104 THR CA C 61.636 0.1 1 1114 102 104 THR CB C 72.658 0.1 1 1115 102 104 THR CG2 C 21.543 0.1 1 1116 102 104 THR N N 116.700 0.1 1 1117 103 105 LYS H H 8.310 0.02 1 1118 103 105 LYS HA H 4.642 0.02 1 1119 103 105 LYS HB2 H 1.813 0.02 2 1120 103 105 LYS HB3 H 1.985 0.02 2 1121 103 105 LYS HD2 H 1.741 0.02 2 1122 103 105 LYS HD3 H 1.649 0.02 2 1123 103 105 LYS HE2 H 3.044 0.02 2 1124 103 105 LYS HE3 H 2.974 0.02 2 1125 103 105 LYS HG2 H 1.375 0.02 2 1126 103 105 LYS HG3 H 1.472 0.02 2 1127 103 105 LYS C C 174.172 0.1 1 1128 103 105 LYS CA C 56.800 0.1 1 1129 103 105 LYS CB C 33.500 0.1 1 1130 103 105 LYS CD C 29.800 0.1 1 1131 103 105 LYS CE C 42.200 0.1 1 1132 103 105 LYS CG C 25.227 0.1 1 1133 103 105 LYS N N 129.800 0.1 1 1134 104 106 LEU H H 8.497 0.02 1 1135 104 106 LEU HA H 5.276 0.02 1 1136 104 106 LEU HB2 H 1.704 0.02 2 1137 104 106 LEU HB3 H 2.230 0.02 2 1138 104 106 LEU HD1 H 0.933 0.02 2 1139 104 106 LEU HD2 H 0.949 0.02 2 1140 104 106 LEU HG H 1.801 0.02 1 1141 104 106 LEU C C 175.316 0.1 1 1142 104 106 LEU CA C 54.500 0.1 1 1143 104 106 LEU CB C 44.800 0.1 1 1144 104 106 LEU CD1 C 26.400 0.1 1 1145 104 106 LEU CD2 C 26.400 0.1 1 1146 104 106 LEU CG C 28.279 0.1 1 1147 104 106 LEU N N 129.808 0.1 1 1148 105 107 GLU H H 8.805 0.02 1 1149 105 107 GLU HA H 4.710 0.02 1 1150 105 107 GLU HB2 H 2.089 0.02 2 1151 105 107 GLU HB3 H 1.976 0.02 2 1152 105 107 GLU HG2 H 2.219 0.02 2 1153 105 107 GLU HG3 H 2.219 0.02 2 1154 105 107 GLU C C 174.452 0.1 1 1155 105 107 GLU CA C 54.700 0.1 1 1156 105 107 GLU CB C 33.200 0.1 1 1157 105 107 GLU CG C 37.041 0.1 1 1158 105 107 GLU N N 124.200 0.1 1 1159 106 108 ILE H H 7.852 0.02 1 1160 106 108 ILE HA H 4.969 0.02 1 1161 106 108 ILE HB H 1.829 0.02 1 1162 106 108 ILE HD1 H 0.849 0.02 1 1163 106 108 ILE HG12 H 1.209 0.02 2 1164 106 108 ILE HG13 H 1.582 0.02 2 1165 106 108 ILE HG2 H 0.917 0.02 1 1166 106 108 ILE C C 176.475 0.1 1 1167 106 108 ILE CA C 59.100 0.1 1 1168 106 108 ILE CB C 39.300 0.1 1 1169 106 108 ILE CD1 C 13.286 0.1 1 1170 106 108 ILE CG1 C 28.657 0.1 1 1171 106 108 ILE CG2 C 18.186 0.1 1 1172 106 108 ILE N N 120.775 0.1 1 1173 107 109 LYS H H 8.531 0.02 1 1174 107 109 LYS HA H 4.303 0.02 1 1175 107 109 LYS HB2 H 1.600 0.02 2 1176 107 109 LYS HB3 H 1.763 0.02 2 1177 107 109 LYS HD2 H 1.652 0.02 2 1178 107 109 LYS HD3 H 1.652 0.02 2 1179 107 109 LYS HE2 H 2.960 0.02 2 1180 107 109 LYS HE3 H 2.960 0.02 2 1181 107 109 LYS HG2 H 1.375 0.02 2 1182 107 109 LYS HG3 H 1.375 0.02 2 1183 107 109 LYS C C 175.263 0.1 1 1184 107 109 LYS CA C 56.654 0.1 1 1185 107 109 LYS CB C 33.565 0.1 1 1186 107 109 LYS CD C 29.673 0.1 1 1187 107 109 LYS CE C 42.191 0.1 1 1188 107 109 LYS CG C 25.100 0.1 1 1189 107 109 LYS N N 129.321 0.1 1 1190 108 110 ARG H H 8.153 0.02 1 1191 108 110 ARG HA H 4.263 0.02 1 1192 108 110 ARG HB2 H 1.918 0.02 2 1193 108 110 ARG HB3 H 1.788 0.02 2 1194 108 110 ARG HD2 H 3.261 0.02 2 1195 108 110 ARG HD3 H 3.261 0.02 2 1196 108 110 ARG HG2 H 1.697 0.02 2 1197 108 110 ARG HG3 H 1.697 0.02 2 1198 108 110 ARG C C 180.978 0.1 1 1199 108 110 ARG CA C 57.721 0.1 1 1200 108 110 ARG CB C 31.870 0.1 1 1201 108 110 ARG CD C 43.809 0.1 1 1202 108 110 ARG CG C 27.308 0.1 1 1203 108 110 ARG N N 129.640 0.1 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'AL-09 H87Y_2' _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 1 142 3 ASP H H 8.433 0.02 1 2 142 3 ASP HA H 4.671 0.02 1 3 142 3 ASP HB2 H 2.671 0.02 2 4 142 3 ASP HB3 H 2.591 0.02 2 5 142 3 ASP C C 175.700 0.1 1 6 142 3 ASP CA C 54.100 0.1 1 7 142 3 ASP CB C 41.300 0.1 1 8 142 3 ASP N N 124.000 0.1 1 9 143 4 ILE H H 8.594 0.02 1 10 143 4 ILE HA H 3.803 0.02 1 11 143 4 ILE HB H 1.769 0.02 1 12 143 4 ILE HD1 H 0.804 0.02 1 13 143 4 ILE HG12 H 1.578 0.02 2 14 143 4 ILE HG13 H 0.740 0.02 2 15 143 4 ILE HG2 H 0.860 0.02 1 16 143 4 ILE C C 175.707 0.1 1 17 143 4 ILE CA C 62.340 0.1 1 18 143 4 ILE CB C 38.387 0.1 1 19 143 4 ILE CD1 C 13.794 0.1 1 20 143 4 ILE CG1 C 28.118 0.1 1 21 143 4 ILE CG2 C 18.486 0.1 1 22 143 4 ILE N N 124.009 0.1 1 23 144 5 GLN H H 8.717 0.02 1 24 144 5 GLN HA H 4.562 0.02 1 25 144 5 GLN HB2 H 2.030 0.02 2 26 144 5 GLN HB3 H 2.135 0.02 2 27 144 5 GLN HE21 H 7.691 0.02 2 28 144 5 GLN HE22 H 6.869 0.02 2 29 144 5 GLN HG2 H 2.449 0.02 2 30 144 5 GLN HG3 H 2.407 0.02 2 31 144 5 GLN C C 175.652 0.1 1 32 144 5 GLN CA C 55.188 0.1 1 33 144 5 GLN CB C 30.685 0.1 1 34 144 5 GLN CG C 34.246 0.1 1 35 144 5 GLN N N 128.596 0.1 1 36 144 5 GLN NE2 N 113.109 0.1 1 37 145 6 MET H H 9.088 0.02 1 38 145 6 MET HA H 5.670 0.02 1 39 145 6 MET HB2 H 2.398 0.02 2 40 145 6 MET HB3 H 2.398 0.02 2 41 145 6 MET HE H 1.650 0.02 1 42 145 6 MET HG2 H 1.899 0.02 2 43 145 6 MET HG3 H 1.654 0.02 2 44 145 6 MET C C 176.659 0.1 1 45 145 6 MET CA C 51.877 0.1 1 46 145 6 MET CB C 30.900 0.1 1 47 145 6 MET CE C 16.631 0.1 1 48 145 6 MET CG C 30.800 0.1 1 49 145 6 MET N N 124.118 0.1 1 50 146 7 THR H H 9.614 0.02 1 51 146 7 THR HA H 4.829 0.02 1 52 146 7 THR HB H 4.212 0.02 1 53 146 7 THR HG2 H 1.314 0.02 1 54 146 7 THR C C 173.970 0.1 1 55 146 7 THR CA C 62.399 0.1 1 56 146 7 THR CB C 70.314 0.1 1 57 146 7 THR CG2 C 21.352 0.1 1 58 146 7 THR N N 120.262 0.1 1 59 147 8 GLN H H 9.780 0.02 1 60 147 8 GLN HA H 5.667 0.02 1 61 147 8 GLN HB2 H 2.356 0.02 2 62 147 8 GLN HB3 H 2.143 0.02 2 63 147 8 GLN HE21 H 7.699 0.02 2 64 147 8 GLN HE22 H 7.169 0.02 2 65 147 8 GLN HG2 H 2.318 0.02 2 66 147 8 GLN HG3 H 2.830 0.02 2 67 147 8 GLN C C 175.268 0.1 1 68 147 8 GLN CA C 54.600 0.1 1 69 147 8 GLN CB C 31.200 0.1 1 70 147 8 GLN CG C 34.500 0.1 1 71 147 8 GLN N N 132.000 0.1 1 72 147 8 GLN NE2 N 110.407 0.1 1 73 148 9 SER H H 9.073 0.02 1 74 148 9 SER HA H 4.856 0.02 1 75 148 9 SER HB2 H 3.815 0.02 2 76 148 9 SER HB3 H 3.815 0.02 2 77 148 9 SER C C 171.266 0.1 1 78 148 9 SER CA C 55.457 0.1 1 79 148 9 SER CB C 65.810 0.1 1 80 148 9 SER N N 120.581 0.1 1 81 149 10 PRO HA H 5.231 0.02 1 82 149 10 PRO HB2 H 2.690 0.02 2 83 149 10 PRO HB3 H 2.565 0.02 2 84 149 10 PRO HD2 H 3.789 0.02 2 85 149 10 PRO HD3 H 3.845 0.02 2 86 149 10 PRO HG2 H 2.266 0.02 2 87 149 10 PRO HG3 H 1.698 0.02 2 88 149 10 PRO CA C 63.222 0.1 1 89 149 10 PRO CB C 35.073 0.1 1 90 149 10 PRO CD C 49.309 0.1 1 91 149 10 PRO CG C 25.690 0.1 1 92 150 11 SER HA H 5.005 0.02 1 93 150 11 SER HB2 H 4.150 0.02 2 94 150 11 SER HB3 H 4.150 0.02 2 95 150 11 SER C C 175.843 0.1 1 96 150 11 SER CA C 60.911 0.1 1 97 150 11 SER CB C 63.300 0.1 1 98 151 12 SER H H 7.840 0.02 1 99 151 12 SER HA H 5.313 0.02 1 100 151 12 SER HB2 H 3.972 0.02 2 101 151 12 SER HB3 H 3.972 0.02 2 102 151 12 SER C C 172.071 0.1 1 103 151 12 SER CA C 57.474 0.1 1 104 151 12 SER CB C 65.214 0.1 1 105 151 12 SER N N 115.700 0.1 1 106 152 13 LEU H H 8.689 0.02 1 107 152 13 LEU HA H 4.709 0.02 1 108 152 13 LEU HB2 H 1.662 0.02 2 109 152 13 LEU HB3 H 1.559 0.02 2 110 152 13 LEU HD1 H 0.991 0.02 2 111 152 13 LEU HD2 H 0.980 0.02 2 112 152 13 LEU HG H 1.606 0.02 1 113 152 13 LEU C C 174.260 0.1 1 114 152 13 LEU CA C 55.423 0.1 1 115 152 13 LEU CB C 46.800 0.1 1 116 152 13 LEU CD1 C 25.600 0.1 1 117 152 13 LEU CG C 27.259 0.1 1 118 152 13 LEU N N 124.247 0.1 1 119 153 14 SER H H 8.541 0.02 1 120 153 14 SER HA H 5.459 0.02 1 121 153 14 SER HB2 H 3.720 0.02 2 122 153 14 SER HB3 H 3.720 0.02 2 123 153 14 SER C C 173.588 0.1 1 124 153 14 SER CA C 56.478 0.1 1 125 153 14 SER CB C 64.214 0.1 1 126 153 14 SER N N 119.600 0.1 1 127 154 15 ALA H H 8.620 0.02 1 128 154 15 ALA HA H 4.780 0.02 1 129 154 15 ALA HB H 1.403 0.02 1 130 154 15 ALA C C 175.124 0.1 1 131 154 15 ALA CA C 51.085 0.1 1 132 154 15 ALA CB C 23.200 0.1 1 133 154 15 ALA N N 128.300 0.1 1 134 155 16 SER H H 8.696 0.02 1 135 155 16 SER HA H 4.968 0.02 1 136 155 16 SER HB2 H 3.936 0.02 2 137 155 16 SER HB3 H 3.689 0.02 2 138 155 16 SER C C 173.972 0.1 1 139 155 16 SER CA C 57.855 0.1 1 140 155 16 SER CB C 64.956 0.1 1 141 155 16 SER N N 116.525 0.1 1 142 156 17 VAL H H 8.590 0.02 1 143 156 17 VAL HA H 3.518 0.02 1 144 156 17 VAL HB H 1.981 0.02 1 145 156 17 VAL HG1 H 1.081 0.02 2 146 156 17 VAL HG2 H 1.025 0.02 2 147 156 17 VAL C C 178.003 0.1 1 148 156 17 VAL CA C 65.426 0.1 1 149 156 17 VAL CB C 31.405 0.1 1 150 156 17 VAL CG1 C 21.035 0.1 1 151 156 17 VAL CG2 C 23.200 0.1 1 152 156 17 VAL N N 122.738 0.1 1 153 157 18 GLY H H 10.039 0.02 1 154 157 18 GLY HA2 H 4.406 0.02 2 155 157 18 GLY HA3 H 3.780 0.02 2 156 157 18 GLY C C 174.980 0.1 1 157 157 18 GLY CA C 44.624 0.1 1 158 157 18 GLY N N 117.732 0.1 1 159 158 19 ASP H H 8.131 0.02 1 160 158 19 ASP HA H 4.638 0.02 1 161 158 19 ASP HB2 H 2.957 0.02 2 162 158 19 ASP HB3 H 2.613 0.02 2 163 158 19 ASP C C 175.220 0.1 1 164 158 19 ASP CA C 55.012 0.1 1 165 158 19 ASP CB C 41.796 0.1 1 166 158 19 ASP N N 122.036 0.1 1 167 159 20 ARG H H 8.256 0.02 1 168 159 20 ARG HA H 4.965 0.02 1 169 159 20 ARG HB2 H 1.795 0.02 2 170 159 20 ARG HB3 H 1.714 0.02 2 171 159 20 ARG HD2 H 3.147 0.02 2 172 159 20 ARG HD3 H 3.147 0.02 2 173 159 20 ARG HG2 H 1.521 0.02 2 174 159 20 ARG HG3 H 1.299 0.02 2 175 159 20 ARG C C 176.879 0.1 1 176 159 20 ARG CA C 54.954 0.1 1 177 159 20 ARG CB C 31.600 0.1 1 178 159 20 ARG CD C 43.500 0.1 1 179 159 20 ARG CG C 28.149 0.1 1 180 159 20 ARG N N 120.476 0.1 1 181 160 21 VAL H H 8.630 0.02 1 182 160 21 VAL HA H 4.515 0.02 1 183 160 21 VAL HB H 1.841 0.02 1 184 160 21 VAL HG1 H 0.807 0.02 2 185 160 21 VAL HG2 H 0.801 0.02 2 186 160 21 VAL C C 173.972 0.1 1 187 160 21 VAL CA C 60.581 0.1 1 188 160 21 VAL CB C 35.800 0.1 1 189 160 21 VAL CG1 C 21.416 0.1 1 190 160 21 VAL CG2 C 21.924 0.1 1 191 160 21 VAL N N 124.630 0.1 1 192 161 22 THR H H 8.155 0.02 1 193 161 22 THR HA H 5.237 0.02 1 194 161 22 THR HB H 3.782 0.02 1 195 161 22 THR HG2 H 1.093 0.02 1 196 161 22 THR C C 173.205 0.1 1 197 161 22 THR CA C 61.578 0.1 1 198 161 22 THR CB C 71.714 0.1 1 199 161 22 THR CG2 C 21.797 0.1 1 200 161 22 THR N N 119.277 0.1 1 201 162 23 ILE H H 9.477 0.02 1 202 162 23 ILE HA H 4.626 0.02 1 203 162 23 ILE HB H 1.718 0.02 1 204 162 23 ILE HD1 H 0.662 0.02 1 205 162 23 ILE HG12 H 1.062 0.02 2 206 162 23 ILE HG13 H 1.549 0.02 2 207 162 23 ILE HG2 H 1.269 0.02 1 208 162 23 ILE C C 174.500 0.1 1 209 162 23 ILE CA C 60.845 0.1 1 210 162 23 ILE CB C 42.090 0.1 1 211 162 23 ILE CD1 C 13.686 0.1 1 212 162 23 ILE CG1 C 28.022 0.1 1 213 162 23 ILE CG2 C 18.748 0.1 1 214 162 23 ILE N N 127.300 0.1 1 215 163 24 THR H H 9.162 0.02 1 216 163 24 THR HA H 5.719 0.02 1 217 163 24 THR HB H 4.332 0.02 1 218 163 24 THR HG2 H 1.320 0.02 1 219 163 24 THR C C 175.028 0.1 1 220 163 24 THR CA C 61.255 0.1 1 221 163 24 THR CB C 72.414 0.1 1 222 163 24 THR CG2 C 21.416 0.1 1 223 163 24 THR N N 117.440 0.1 1 224 164 25 CYS H H 9.519 0.02 1 225 164 25 CYS HA H 5.549 0.02 1 226 164 25 CYS HB2 H 2.843 0.02 2 227 164 25 CYS HB3 H 3.125 0.02 2 228 164 25 CYS C C 172.437 0.1 1 229 164 25 CYS CA C 56.155 0.1 1 230 164 25 CYS CB C 49.400 0.1 1 231 164 25 CYS N N 121.413 0.1 1 232 165 26 GLN H H 9.163 0.02 1 233 165 26 GLN HA H 5.809 0.02 1 234 165 26 GLN HB2 H 2.237 0.02 2 235 165 26 GLN HB3 H 2.115 0.02 2 236 165 26 GLN HE21 H 7.963 0.02 2 237 165 26 GLN HE22 H 6.792 0.02 2 238 165 26 GLN HG2 H 2.472 0.02 2 239 165 26 GLN HG3 H 2.512 0.02 2 240 165 26 GLN C C 175.028 0.1 1 241 165 26 GLN CA C 53.811 0.1 1 242 165 26 GLN CB C 32.742 0.1 1 243 165 26 GLN CG C 34.627 0.1 1 244 165 26 GLN N N 123.700 0.1 1 245 165 26 GLN NE2 N 112.271 0.1 1 246 166 27 ALA H H 9.184 0.02 1 247 166 27 ALA HA H 5.609 0.02 1 248 166 27 ALA HB H 1.629 0.02 1 249 166 27 ALA C C 178.626 0.1 1 250 166 27 ALA CA C 50.411 0.1 1 251 166 27 ALA CB C 24.100 0.1 1 252 166 27 ALA N N 128.300 0.1 1 253 167 28 SER H H 8.281 0.02 1 254 167 28 SER HA H 4.387 0.02 1 255 167 28 SER HB2 H 4.178 0.02 2 256 167 28 SER HB3 H 4.078 0.02 2 257 167 28 SER C C 173.492 0.1 1 258 167 28 SER CA C 60.639 0.1 1 259 167 28 SER CB C 63.369 0.1 1 260 167 28 SER N N 113.935 0.1 1 261 168 29 GLN H H 7.470 0.02 1 262 168 29 GLN HA H 4.556 0.02 1 263 168 29 GLN HB2 H 1.928 0.02 2 264 168 29 GLN HB3 H 2.127 0.02 2 265 168 29 GLN HE21 H 7.976 0.02 2 266 168 29 GLN HE22 H 6.852 0.02 2 267 168 29 GLN HG2 H 2.127 0.02 2 268 168 29 GLN HG3 H 2.218 0.02 2 269 168 29 GLN C C 172.341 0.1 1 270 168 29 GLN CA C 53.600 0.1 1 271 168 29 GLN CB C 32.801 0.1 1 272 168 29 GLN CG C 33.132 0.1 1 273 168 29 GLN N N 116.158 0.1 1 274 168 29 GLN NE2 N 114.125 0.1 1 275 169 30 ASP H H 8.143 0.02 1 276 169 30 ASP HA H 4.099 0.02 1 277 169 30 ASP HB2 H 2.544 0.02 2 278 169 30 ASP HB3 H 2.851 0.02 2 279 169 30 ASP C C 177.427 0.1 1 280 169 30 ASP CA C 55.800 0.1 1 281 169 30 ASP CB C 41.600 0.1 1 282 169 30 ASP N N 118.000 0.1 1 283 170 31 ILE H H 8.588 0.02 1 284 170 31 ILE HA H 4.652 0.02 1 285 170 31 ILE HB H 2.377 0.02 1 286 170 31 ILE HD1 H 0.502 0.02 1 287 170 31 ILE HG12 H 1.284 0.02 2 288 170 31 ILE HG13 H 1.284 0.02 2 289 170 31 ILE HG2 H 0.978 0.02 1 290 170 31 ILE C C 175.364 0.1 1 291 170 31 ILE CA C 60.816 0.1 1 292 170 31 ILE CB C 39.000 0.1 1 293 170 31 ILE CD1 C 16.207 0.1 1 294 170 31 ILE CG1 C 26.661 0.1 1 295 170 31 ILE CG2 C 17.859 0.1 1 296 170 31 ILE N N 122.302 0.1 1 297 171 32 ASN H H 9.224 0.02 1 298 171 32 ASN HA H 4.214 0.02 1 299 171 32 ASN HB2 H 2.777 0.02 2 300 171 32 ASN HB3 H 2.684 0.02 2 301 171 32 ASN HD21 H 7.338 0.02 2 302 171 32 ASN HD22 H 6.837 0.02 2 303 171 32 ASN C C 173.396 0.1 1 304 171 32 ASN CA C 55.502 0.1 1 305 171 32 ASN CB C 37.700 0.1 1 306 171 32 ASN N N 120.008 0.1 1 307 171 32 ASN ND2 N 114.174 0.1 1 308 172 33 ASN H H 7.503 0.02 1 309 172 33 ASN HA H 4.903 0.02 1 310 172 33 ASN HB2 H 2.852 0.02 2 311 172 33 ASN HB3 H 2.852 0.02 2 312 172 33 ASN HD21 H 7.217 0.02 2 313 172 33 ASN HD22 H 6.601 0.02 2 314 172 33 ASN C C 175.268 0.1 1 315 172 33 ASN CA C 52.359 0.1 1 316 172 33 ASN CB C 37.958 0.1 1 317 172 33 ASN N N 117.745 0.1 1 318 172 33 ASN ND2 N 110.107 0.1 1 319 173 34 TYR H H 7.942 0.02 1 320 173 34 TYR HA H 4.103 0.02 1 321 173 34 TYR HB2 H 2.641 0.02 2 322 173 34 TYR HB3 H 1.169 0.02 2 323 173 34 TYR HD1 H 7.104 0.02 1 324 173 34 TYR HD2 H 7.104 0.02 1 325 173 34 TYR HE1 H 6.949 0.02 1 326 173 34 TYR HE2 H 6.949 0.02 1 327 173 34 TYR C C 173.588 0.1 1 328 173 34 TYR CA C 56.361 0.1 1 329 173 34 TYR CB C 34.636 0.1 1 330 173 34 TYR CD1 C 133.341 0.1 1 331 173 34 TYR CE1 C 118.329 0.1 1 332 173 34 TYR N N 120.590 0.1 1 333 174 35 LEU H H 7.893 0.02 1 334 174 35 LEU HA H 4.748 0.02 1 335 174 35 LEU HB2 H 0.145 0.02 2 336 174 35 LEU HB3 H 0.779 0.02 2 337 174 35 LEU HD1 H -0.029 0.02 2 338 174 35 LEU HD2 H -0.072 0.02 2 339 174 35 LEU HG H 0.622 0.02 1 340 174 35 LEU C C 175.700 0.1 1 341 174 35 LEU CA C 52.961 0.1 1 342 174 35 LEU CB C 46.400 0.1 1 343 174 35 LEU CD1 C 25.000 0.1 1 344 174 35 LEU CD2 C 24.720 0.1 1 345 174 35 LEU CG C 26.014 0.1 1 346 174 35 LEU N N 125.500 0.1 1 347 175 36 ILE H H 8.752 0.02 1 348 175 36 ILE HA H 4.892 0.02 1 349 175 36 ILE HB H 1.140 0.02 1 350 175 36 ILE HD1 H 0.107 0.02 1 351 175 36 ILE HG12 H 1.781 0.02 2 352 175 36 ILE HG13 H 0.768 0.02 2 353 175 36 ILE HG2 H 0.096 0.02 1 354 175 36 ILE C C 175.843 0.1 1 355 175 36 ILE CA C 59.057 0.1 1 356 175 36 ILE CB C 43.618 0.1 1 357 175 36 ILE CD1 C 14.810 0.1 1 358 175 36 ILE CG1 C 29.896 0.1 1 359 175 36 ILE CG2 C 18.240 0.1 1 360 175 36 ILE N N 127.763 0.1 1 361 176 37 TRP H H 8.114 0.02 1 362 176 37 TRP HA H 5.316 0.02 1 363 176 37 TRP HB2 H 2.683 0.02 2 364 176 37 TRP HB3 H 2.547 0.02 2 365 176 37 TRP HD1 H 6.667 0.02 1 366 176 37 TRP HE1 H 11.544 0.02 1 367 176 37 TRP HE3 H 6.863 0.02 1 368 176 37 TRP HH2 H 6.817 0.02 1 369 176 37 TRP HZ2 H 7.035 0.02 1 370 176 37 TRP HZ3 H 6.708 0.02 1 371 176 37 TRP C C 176.000 0.1 1 372 176 37 TRP CA C 56.000 0.1 1 373 176 37 TRP CB C 32.272 0.1 1 374 176 37 TRP CD1 C 125.576 0.1 1 375 176 37 TRP CE3 C 120.141 0.1 1 376 176 37 TRP CH2 C 126.094 0.1 1 377 176 37 TRP CZ2 C 114.188 0.1 1 378 176 37 TRP CZ3 C 121.694 0.1 1 379 176 37 TRP N N 121.554 0.1 1 380 176 37 TRP NE1 N 134.000 0.1 1 381 177 38 TYR H H 9.616 0.02 1 382 177 38 TYR HA H 5.463 0.02 1 383 177 38 TYR HB2 H 2.797 0.02 2 384 177 38 TYR HB3 H 2.672 0.02 2 385 177 38 TYR HD1 H 6.568 0.02 1 386 177 38 TYR HD2 H 6.568 0.02 1 387 177 38 TYR HE1 H 6.726 0.02 1 388 177 38 TYR HE2 H 6.726 0.02 1 389 177 38 TYR C C 175.172 0.1 1 390 177 38 TYR CA C 57.152 0.1 1 391 177 38 TYR CB C 44.559 0.1 1 392 177 38 TYR CD1 C 132.306 0.1 1 393 177 38 TYR CE1 C 118.847 0.1 1 394 177 38 TYR N N 119.300 0.1 1 395 178 39 GLN H H 9.194 0.02 1 396 178 39 GLN HA H 4.172 0.02 1 397 178 39 GLN HB2 H 1.882 0.02 2 398 178 39 GLN HB3 H 2.196 0.02 2 399 178 39 GLN HE21 H 7.822 0.02 2 400 178 39 GLN HE22 H 8.073 0.02 2 401 178 39 GLN HG2 H 1.517 0.02 2 402 178 39 GLN HG3 H 1.517 0.02 2 403 178 39 GLN C C 174.010 0.1 1 404 178 39 GLN CA C 54.309 0.1 1 405 178 39 GLN CB C 35.073 0.1 1 406 178 39 GLN CG C 35.800 0.1 1 407 178 39 GLN N N 120.527 0.1 1 408 178 39 GLN NE2 N 112.426 0.1 1 409 179 40 GLN H H 9.525 0.02 1 410 179 40 GLN HA H 4.826 0.02 1 411 179 40 GLN HB2 H 2.342 0.02 2 412 179 40 GLN HB3 H 2.342 0.02 2 413 179 40 GLN HE21 H 7.980 0.02 2 414 179 40 GLN HE22 H 7.429 0.02 2 415 179 40 GLN HG2 H 2.145 0.02 2 416 179 40 GLN HG3 H 1.945 0.02 2 417 179 40 GLN C C 175.384 0.1 1 418 179 40 GLN CA C 55.071 0.1 1 419 179 40 GLN CB C 31.500 0.1 1 420 179 40 GLN CG C 34.103 0.1 1 421 179 40 GLN N N 128.647 0.1 1 422 179 40 GLN NE2 N 110.064 0.1 1 423 180 41 LYS H H 9.194 0.02 1 424 180 41 LYS HA H 4.539 0.02 1 425 180 41 LYS HB2 H 1.992 0.02 2 426 180 41 LYS HB3 H 1.520 0.02 2 427 180 41 LYS HD2 H 1.816 0.02 2 428 180 41 LYS HD3 H 1.816 0.02 2 429 180 41 LYS HE2 H 3.129 0.02 2 430 180 41 LYS HE3 H 3.016 0.02 2 431 180 41 LYS HG2 H 1.517 0.02 2 432 180 41 LYS HG3 H 1.517 0.02 2 433 180 41 LYS C C 173.182 0.1 1 434 180 41 LYS CA C 55.500 0.1 1 435 180 41 LYS CB C 31.191 0.1 1 436 180 41 LYS CD C 29.573 0.1 1 437 180 41 LYS CE C 42.191 0.1 1 438 180 41 LYS CG C 26.984 0.1 1 439 180 41 LYS N N 132.971 0.1 1 440 181 42 PRO HA H 4.314 0.02 1 441 181 42 PRO HB2 H 2.323 0.02 2 442 181 42 PRO HB3 H 1.981 0.02 2 443 181 42 PRO HD2 H 3.684 0.02 2 444 181 42 PRO HD3 H 3.838 0.02 2 445 181 42 PRO HG2 H 2.206 0.02 2 446 181 42 PRO HG3 H 2.034 0.02 2 447 181 42 PRO CA C 64.512 0.1 1 448 181 42 PRO CB C 31.838 0.1 1 449 181 42 PRO CD C 50.280 0.1 1 450 181 42 PRO CG C 28.279 0.1 1 451 182 43 GLY HA2 H 4.232 0.02 2 452 182 43 GLY HA3 H 3.785 0.02 2 453 182 43 GLY C C 174.260 0.1 1 454 182 43 GLY CA C 46.023 0.1 1 455 183 44 GLN H H 8.083 0.02 1 456 183 44 GLN HA H 4.947 0.02 1 457 183 44 GLN HB2 H 2.386 0.02 2 458 183 44 GLN HB3 H 2.076 0.02 2 459 183 44 GLN HE21 H 7.621 0.02 2 460 183 44 GLN HE22 H 6.953 0.02 2 461 183 44 GLN HG2 H 2.345 0.02 2 462 183 44 GLN HG3 H 2.345 0.02 2 463 183 44 GLN C C 175.020 0.1 1 464 183 44 GLN CA C 54.221 0.1 1 465 183 44 GLN CB C 32.507 0.1 1 466 183 44 GLN CG C 34.119 0.1 1 467 183 44 GLN N N 119.261 0.1 1 468 183 44 GLN NE2 N 112.260 0.1 1 469 184 45 ALA H H 8.386 0.02 1 470 184 45 ALA HA H 4.160 0.02 1 471 184 45 ALA HB H 1.354 0.02 1 472 184 45 ALA C C 175.505 0.1 1 473 184 45 ALA CA C 50.280 0.1 1 474 184 45 ALA CB C 18.286 0.1 1 475 184 45 ALA N N 120.919 0.1 1 476 185 46 PRO HA H 4.055 0.02 1 477 185 46 PRO HB2 H 0.588 0.02 2 478 185 46 PRO HB3 H 1.069 0.02 2 479 185 46 PRO HD2 H 2.443 0.02 2 480 185 46 PRO HD3 H 1.427 0.02 2 481 185 46 PRO HG2 H 0.584 0.02 2 482 185 46 PRO HG3 H -0.016 0.02 2 483 185 46 PRO C C 174.212 0.1 1 484 185 46 PRO CA C 62.978 0.1 1 485 185 46 PRO CB C 30.904 0.1 1 486 185 46 PRO CD C 48.986 0.1 1 487 185 46 PRO CG C 26.337 0.1 1 488 186 47 LYS H H 9.085 0.02 1 489 186 47 LYS HA H 4.697 0.02 1 490 186 47 LYS HB2 H 1.939 0.02 2 491 186 47 LYS HB3 H 2.117 0.02 2 492 186 47 LYS HD2 H 1.887 0.02 2 493 186 47 LYS HD3 H 1.808 0.02 2 494 186 47 LYS HE2 H 3.160 0.02 2 495 186 47 LYS HE3 H 3.091 0.02 2 496 186 47 LYS HG2 H 1.625 0.02 2 497 186 47 LYS HG3 H 1.433 0.02 2 498 186 47 LYS C C 175.707 0.1 1 499 186 47 LYS CA C 55.159 0.1 1 500 186 47 LYS CB C 35.799 0.1 1 501 186 47 LYS CD C 29.600 0.1 1 502 186 47 LYS CE C 42.800 0.1 1 503 186 47 LYS CG C 25.400 0.1 1 504 186 47 LYS N N 123.672 0.1 1 505 187 48 LEU H H 9.103 0.02 1 506 187 48 LEU HA H 3.882 0.02 1 507 187 48 LEU HB2 H 1.862 0.02 2 508 187 48 LEU HB3 H 1.862 0.02 2 509 187 48 LEU HD1 H 0.807 0.02 2 510 187 48 LEU HD2 H 0.844 0.02 2 511 187 48 LEU HG H 1.467 0.02 1 512 187 48 LEU C C 175.173 0.1 1 513 187 48 LEU CA C 59.100 0.1 1 514 187 48 LEU CB C 42.200 0.1 1 515 187 48 LEU CD1 C 26.014 0.1 1 516 187 48 LEU CD2 C 28.926 0.1 1 517 187 48 LEU CG C 27.955 0.1 1 518 187 48 LEU N N 131.133 0.1 1 519 188 49 LEU HA H 4.960 0.02 1 520 188 49 LEU HB2 H 1.847 0.02 2 521 188 49 LEU HB3 H 1.444 0.02 2 522 188 49 LEU HD1 H 0.714 0.02 2 523 188 49 LEU HD2 H 0.759 0.02 2 524 188 49 LEU HG H 1.522 0.02 1 525 188 49 LEU C C 175.508 0.1 1 526 188 49 LEU CA C 55.476 0.1 1 527 188 49 LEU CB C 45.200 0.1 1 528 188 49 LEU CD1 C 27.300 0.1 1 529 188 49 LEU CD2 C 22.178 0.1 1 530 188 49 LEU CG C 27.900 0.1 1 531 189 50 ILE H H 7.334 0.02 1 532 189 50 ILE HA H 5.273 0.02 1 533 189 50 ILE HB H 1.712 0.02 1 534 189 50 ILE HD1 H 0.786 0.02 1 535 189 50 ILE HG12 H 1.149 0.02 2 536 189 50 ILE HG13 H 1.654 0.02 2 537 189 50 ILE HG2 H 0.822 0.02 1 538 189 50 ILE C C 174.644 0.1 1 539 189 50 ILE CA C 58.530 0.1 1 540 189 50 ILE CB C 44.734 0.1 1 541 189 50 ILE CD1 C 14.175 0.1 1 542 189 50 ILE CG1 C 28.800 0.1 1 543 189 50 ILE CG2 C 17.605 0.1 1 544 189 50 ILE N N 117.200 0.1 1 545 190 51 TYR H H 9.079 0.02 1 546 190 51 TYR HA H 5.402 0.02 1 547 190 51 TYR HB2 H 2.866 0.02 2 548 190 51 TYR HB3 H 2.684 0.02 2 549 190 51 TYR HD1 H 6.897 0.02 1 550 190 51 TYR HD2 H 6.897 0.02 1 551 190 51 TYR HE1 H 6.722 0.02 1 552 190 51 TYR HE2 H 6.722 0.02 1 553 190 51 TYR C C 172.485 0.1 1 554 190 51 TYR CA C 55.364 0.1 1 555 190 51 TYR CB C 40.678 0.1 1 556 190 51 TYR CD1 C 133.859 0.1 1 557 190 51 TYR CE1 C 118.000 0.1 1 558 190 51 TYR N N 121.662 0.1 1 559 191 52 ASP H H 8.674 0.02 1 560 191 52 ASP HA H 5.132 0.02 1 561 191 52 ASP HB2 H 2.700 0.02 2 562 191 52 ASP HB3 H 3.170 0.02 2 563 191 52 ASP C C 179.058 0.1 1 564 191 52 ASP CA C 56.302 0.1 1 565 191 52 ASP CB C 40.343 0.1 1 566 191 52 ASP N N 119.859 0.1 1 567 192 53 ALA H H 9.025 0.02 1 568 192 53 ALA HA H 3.757 0.02 1 569 192 53 ALA HB H 1.930 0.02 1 570 192 53 ALA C C 179.490 0.1 1 571 192 53 ALA CA C 57.800 0.1 1 572 192 53 ALA CB C 19.386 0.1 1 573 192 53 ALA N N 114.075 0.1 1 574 193 54 SER H H 8.675 0.02 1 575 193 54 SER HA H 4.869 0.02 1 576 193 54 SER HB2 H 4.230 0.02 2 577 193 54 SER HB3 H 3.863 0.02 2 578 193 54 SER C C 175.268 0.1 1 579 193 54 SER CA C 57.898 0.1 1 580 193 54 SER CB C 66.814 0.1 1 581 193 54 SER N N 111.188 0.1 1 582 194 55 THR H H 9.045 0.02 1 583 194 55 THR HA H 4.255 0.02 1 584 194 55 THR HB H 3.214 0.02 1 585 194 55 THR HG2 H 0.888 0.02 1 586 194 55 THR C C 172.149 0.1 1 587 194 55 THR CA C 63.500 0.1 1 588 194 55 THR CB C 68.600 0.1 1 589 194 55 THR CG2 C 23.100 0.1 1 590 194 55 THR N N 123.672 0.1 1 591 195 56 LEU H H 8.484 0.02 1 592 195 56 LEU HA H 4.571 0.02 1 593 195 56 LEU HB2 H 1.605 0.02 2 594 195 56 LEU HB3 H 1.828 0.02 2 595 195 56 LEU HD1 H 0.998 0.02 2 596 195 56 LEU HD2 H 1.050 0.02 2 597 195 56 LEU HG H 1.782 0.02 1 598 195 56 LEU C C 177.955 0.1 1 599 195 56 LEU CA C 55.774 0.1 1 600 195 56 LEU CB C 43.500 0.1 1 601 195 56 LEU CD1 C 24.973 0.1 1 602 195 56 LEU CD2 C 24.800 0.1 1 603 195 56 LEU CG C 29.249 0.1 1 604 195 56 LEU N N 129.316 0.1 1 605 196 57 GLU H H 8.082 0.02 1 606 196 57 GLU HA H 4.734 0.02 1 607 196 57 GLU HB2 H 1.830 0.02 2 608 196 57 GLU HB3 H 2.027 0.02 2 609 196 57 GLU HG2 H 2.697 0.02 2 610 196 57 GLU HG3 H 2.396 0.02 2 611 196 57 GLU C C 176.179 0.1 1 612 196 57 GLU CA C 55.979 0.1 1 613 196 57 GLU CB C 30.626 0.1 1 614 196 57 GLU CG C 36.400 0.1 1 615 196 57 GLU N N 126.000 0.1 1 616 197 58 THR H H 8.454 0.02 1 617 197 58 THR HA H 4.051 0.02 1 618 197 58 THR HB H 4.129 0.02 1 619 197 58 THR HG2 H 1.348 0.02 1 620 197 58 THR C C 175.652 0.1 1 621 197 58 THR CA C 64.978 0.1 1 622 197 58 THR CB C 69.369 0.1 1 623 197 58 THR CG2 C 21.670 0.1 1 624 197 58 THR N N 120.402 0.1 1 625 198 59 GLY H H 8.983 0.02 1 626 198 59 GLY HA2 H 4.288 0.02 2 627 198 59 GLY HA3 H 3.813 0.02 2 628 198 59 GLY C C 174.548 0.1 1 629 198 59 GLY CA C 45.500 0.1 1 630 198 59 GLY N N 114.813 0.1 1 631 199 60 VAL H H 7.738 0.02 1 632 199 60 VAL HA H 4.398 0.02 1 633 199 60 VAL HB H 2.408 0.02 1 634 199 60 VAL HG1 H 1.323 0.02 2 635 199 60 VAL HG2 H 1.266 0.02 2 636 199 60 VAL C C 174.417 0.1 1 637 199 60 VAL CA C 60.957 0.1 1 638 199 60 VAL CB C 33.132 0.1 1 639 199 60 VAL CG1 C 22.778 0.1 1 640 199 60 VAL CG2 C 23.749 0.1 1 641 199 60 VAL N N 125.000 0.1 1 642 200 61 PRO HA H 4.532 0.02 1 643 200 61 PRO HB2 H 1.768 0.02 2 644 200 61 PRO HB3 H 2.491 0.02 2 645 200 61 PRO HD2 H 3.792 0.02 2 646 200 61 PRO HD3 H 4.151 0.02 2 647 200 61 PRO HG2 H 2.147 0.02 2 648 200 61 PRO HG3 H 2.044 0.02 2 649 200 61 PRO C C 176.707 0.1 1 650 200 61 PRO CA C 63.628 0.1 1 651 200 61 PRO CB C 33.854 0.1 1 652 200 61 PRO CD C 51.600 0.1 1 653 200 61 PRO CG C 27.700 0.1 1 654 201 62 SER H H 8.419 0.02 1 655 201 62 SER HA H 4.324 0.02 1 656 201 62 SER HB2 H 4.158 0.02 2 657 201 62 SER HB3 H 4.017 0.02 2 658 201 62 SER C C 174.692 0.1 1 659 201 62 SER CA C 60.000 0.1 1 660 201 62 SER CB C 63.300 0.1 1 661 201 62 SER N N 114.139 0.1 1 662 202 63 ARG H H 6.918 0.02 1 663 202 63 ARG HA H 4.318 0.02 1 664 202 63 ARG HB2 H 1.720 0.02 2 665 202 63 ARG HB3 H 1.790 0.02 2 666 202 63 ARG HD2 H 3.182 0.02 2 667 202 63 ARG HD3 H 3.119 0.02 2 668 202 63 ARG HG2 H 1.523 0.02 2 669 202 63 ARG HG3 H 1.307 0.02 2 670 202 63 ARG C C 175.364 0.1 1 671 202 63 ARG CA C 56.771 0.1 1 672 202 63 ARG CB C 29.896 0.1 1 673 202 63 ARG CD C 42.515 0.1 1 674 202 63 ARG CG C 27.632 0.1 1 675 202 63 ARG N N 116.026 0.1 1 676 203 64 PHE H H 7.725 0.02 1 677 203 64 PHE HA H 5.101 0.02 1 678 203 64 PHE HB2 H 3.216 0.02 2 679 203 64 PHE HB3 H 2.761 0.02 2 680 203 64 PHE HD1 H 7.254 0.02 1 681 203 64 PHE HD2 H 7.254 0.02 1 682 203 64 PHE HE1 H 7.322 0.02 1 683 203 64 PHE HE2 H 7.322 0.02 1 684 203 64 PHE HZ H 7.505 0.02 1 685 203 64 PHE C C 174.212 0.1 1 686 203 64 PHE CA C 56.126 0.1 1 687 203 64 PHE CB C 39.914 0.1 1 688 203 64 PHE CD1 C 131.788 0.1 1 689 203 64 PHE CE1 C 131.012 0.1 1 690 203 64 PHE CZ C 130.700 0.1 1 691 203 64 PHE N N 121.900 0.1 1 692 204 65 SER H H 8.362 0.02 1 693 204 65 SER HA H 4.598 0.02 1 694 204 65 SER HB2 H 3.800 0.02 2 695 204 65 SER HB3 H 3.800 0.02 2 696 204 65 SER C C 171.861 0.1 1 697 204 65 SER CA C 58.000 0.1 1 698 204 65 SER CB C 66.309 0.1 1 699 204 65 SER N N 111.581 0.1 1 700 205 66 GLY H H 8.759 0.02 1 701 205 66 GLY HA2 H 5.379 0.02 2 702 205 66 GLY HA3 H 3.964 0.02 2 703 205 66 GLY C C 172.965 0.1 1 704 205 66 GLY CA C 44.607 0.1 1 705 205 66 GLY N N 107.681 0.1 1 706 206 67 SER H H 9.112 0.02 1 707 206 67 SER HA H 4.893 0.02 1 708 206 67 SER HB2 H 3.800 0.02 2 709 206 67 SER HB3 H 3.901 0.02 2 710 206 67 SER C C 174.356 0.1 1 711 206 67 SER CA C 57.327 0.1 1 712 206 67 SER CB C 66.214 0.1 1 713 206 67 SER N N 114.425 0.1 1 714 207 68 GLY H H 8.468 0.02 1 715 207 68 GLY HA2 H 4.956 0.02 2 716 207 68 GLY HA3 H 3.832 0.02 2 717 207 68 GLY C C 171.861 0.1 1 718 207 68 GLY CA C 45.200 0.1 1 719 207 68 GLY N N 111.600 0.1 1 720 208 69 SER H H 7.030 0.02 1 721 208 69 SER HA H 4.446 0.02 1 722 208 69 SER HB2 H 3.778 0.02 2 723 208 69 SER HB3 H 3.778 0.02 2 724 208 69 SER C C 174.452 0.1 1 725 208 69 SER CA C 58.441 0.1 1 726 208 69 SER CB C 64.914 0.1 1 727 208 69 SER N N 109.300 0.1 1 728 209 70 GLY H H 9.097 0.02 1 729 209 70 GLY HA2 H 4.258 0.02 2 730 209 70 GLY HA3 H 4.035 0.02 2 731 209 70 GLY C C 172.917 0.1 1 732 209 70 GLY CA C 47.393 0.1 1 733 209 70 GLY N N 112.566 0.1 1 734 210 71 THR H H 8.228 0.02 1 735 210 71 THR HA H 4.824 0.02 1 736 210 71 THR HB H 4.874 0.02 1 737 210 71 THR HG2 H 1.018 0.02 1 738 210 71 THR C C 174.356 0.1 1 739 210 71 THR CA C 61.519 0.1 1 740 210 71 THR CB C 71.129 0.1 1 741 210 71 THR CG2 C 21.162 0.1 1 742 210 71 THR N N 112.926 0.1 1 743 211 72 GLU H H 7.062 0.02 1 744 211 72 GLU HA H 5.024 0.02 1 745 211 72 GLU HB2 H 2.005 0.02 2 746 211 72 GLU HB3 H 1.918 0.02 2 747 211 72 GLU HG2 H 2.270 0.02 2 748 211 72 GLU HG3 H 2.184 0.02 2 749 211 72 GLU C C 174.068 0.1 1 750 211 72 GLU CA C 56.683 0.1 1 751 211 72 GLU CB C 32.919 0.1 1 752 211 72 GLU CG C 36.787 0.1 1 753 211 72 GLU N N 121.600 0.1 1 754 212 73 PHE H H 8.897 0.02 1 755 212 73 PHE HA H 5.326 0.02 1 756 212 73 PHE HB2 H 2.883 0.02 2 757 212 73 PHE HB3 H 3.689 0.02 2 758 212 73 PHE HD1 H 6.893 0.02 1 759 212 73 PHE HD2 H 6.893 0.02 1 760 212 73 PHE HE1 H 7.279 0.02 1 761 212 73 PHE HE2 H 7.279 0.02 1 762 212 73 PHE C C 175.939 0.1 1 763 212 73 PHE CA C 57.357 0.1 1 764 212 73 PHE CB C 43.500 0.1 1 765 212 73 PHE CD1 C 130.753 0.1 1 766 212 73 PHE CE1 C 129.977 0.1 1 767 212 73 PHE N N 123.395 0.1 1 768 213 74 THR H H 9.046 0.02 1 769 213 74 THR HA H 5.462 0.02 1 770 213 74 THR HB H 3.926 0.02 1 771 213 74 THR HG2 H 1.128 0.02 1 772 213 74 THR C C 172.053 0.1 1 773 213 74 THR CA C 61.313 0.1 1 774 213 74 THR CB C 72.614 0.1 1 775 213 74 THR CG2 C 21.797 0.1 1 776 213 74 THR N N 115.454 0.1 1 777 214 75 PHE H H 9.050 0.02 1 778 214 75 PHE HA H 4.798 0.02 1 779 214 75 PHE HB2 H 1.240 0.02 2 780 214 75 PHE HB3 H 0.160 0.02 2 781 214 75 PHE HE1 H 6.143 0.02 1 782 214 75 PHE HE2 H 6.143 0.02 1 783 214 75 PHE HZ H 6.331 0.02 1 784 214 75 PHE C C 173.444 0.1 1 785 214 75 PHE CA C 55.540 0.1 1 786 214 75 PHE CB C 39.300 0.1 1 787 214 75 PHE CE1 C 131.012 0.1 1 788 214 75 PHE CZ C 128.941 0.1 1 789 214 75 PHE N N 128.473 0.1 1 790 215 76 THR H H 8.349 0.02 1 791 215 76 THR HA H 5.105 0.02 1 792 215 76 THR HB H 3.478 0.02 1 793 215 76 THR HG2 H 0.827 0.02 1 794 215 76 THR C C 172.923 0.1 1 795 215 76 THR CA C 60.400 0.1 1 796 215 76 THR CB C 72.014 0.1 1 797 215 76 THR CG2 C 20.837 0.1 1 798 215 76 THR N N 122.400 0.1 1 799 216 77 ILE H H 8.412 0.02 1 800 216 77 ILE HA H 4.286 0.02 1 801 216 77 ILE HB H 1.446 0.02 1 802 216 77 ILE HD1 H 0.500 0.02 1 803 216 77 ILE HG12 H 0.517 0.02 2 804 216 77 ILE HG13 H 0.975 0.02 2 805 216 77 ILE HG2 H 0.494 0.02 1 806 216 77 ILE C C 176.707 0.1 1 807 216 77 ILE CA C 60.229 0.1 1 808 216 77 ILE CB C 39.300 0.1 1 809 216 77 ILE CD1 C 13.386 0.1 1 810 216 77 ILE CG1 C 26.337 0.1 1 811 216 77 ILE CG2 C 17.224 0.1 1 812 216 77 ILE N N 123.807 0.1 1 813 217 78 SER H H 9.193 0.02 1 814 217 78 SER HA H 3.902 0.02 1 815 217 78 SER HB2 H 3.818 0.02 2 816 217 78 SER HB3 H 3.818 0.02 2 817 217 78 SER C C 174.260 0.1 1 818 217 78 SER CA C 60.992 0.1 1 819 217 78 SER CB C 62.919 0.1 1 820 217 78 SER N N 121.707 0.1 1 821 218 79 SER H H 6.223 0.02 1 822 218 79 SER HA H 3.990 0.02 1 823 218 79 SER HB2 H 3.641 0.02 2 824 218 79 SER HB3 H 3.641 0.02 2 825 218 79 SER C C 174.068 0.1 1 826 218 79 SER CA C 56.684 0.1 1 827 218 79 SER CB C 62.600 0.1 1 828 218 79 SER N N 113.400 0.1 1 829 219 80 LEU H H 9.001 0.02 1 830 219 80 LEU HA H 4.000 0.02 1 831 219 80 LEU HB2 H 1.476 0.02 2 832 219 80 LEU HB3 H 1.882 0.02 2 833 219 80 LEU HD1 H 0.977 0.02 2 834 219 80 LEU HD2 H 0.709 0.02 2 835 219 80 LEU HG H 1.553 0.02 1 836 219 80 LEU C C 176.515 0.1 1 837 219 80 LEU CA C 57.152 0.1 1 838 219 80 LEU CB C 42.900 0.1 1 839 219 80 LEU CD1 C 26.900 0.1 1 840 219 80 LEU CD2 C 26.900 0.1 1 841 219 80 LEU CG C 26.700 0.1 1 842 219 80 LEU N N 127.974 0.1 1 843 220 81 GLN H H 9.099 0.02 1 844 220 81 GLN HA H 4.955 0.02 1 845 220 81 GLN HB2 H 2.522 0.02 2 846 220 81 GLN HB3 H 1.599 0.02 2 847 220 81 GLN HE21 H 6.960 0.02 2 848 220 81 GLN HE22 H 6.839 0.02 2 849 220 81 GLN HG2 H 2.545 0.02 2 850 220 81 GLN HG3 H 2.273 0.02 2 851 220 81 GLN C C 174.786 0.1 1 852 220 81 GLN CA C 52.868 0.1 1 853 220 81 GLN CB C 29.573 0.1 1 854 220 81 GLN CG C 33.132 0.1 1 855 220 81 GLN N N 125.700 0.1 1 856 220 81 GLN NE2 N 114.104 0.1 1 857 221 82 PRO HA H 4.101 0.02 1 858 221 82 PRO HB2 H 2.460 0.02 2 859 221 82 PRO HB3 H 2.069 0.02 2 860 221 82 PRO HD2 H 3.968 0.02 2 861 221 82 PRO HD3 H 3.723 0.02 2 862 221 82 PRO HG2 H 2.028 0.02 2 863 221 82 PRO HG3 H 2.357 0.02 2 864 221 82 PRO C C 178.722 0.1 1 865 221 82 PRO CA C 66.582 0.1 1 866 221 82 PRO CB C 32.101 0.1 1 867 221 82 PRO CD C 50.280 0.1 1 868 221 82 PRO CG C 28.279 0.1 1 869 222 83 GLU H H 9.548 0.02 1 870 222 83 GLU HA H 4.412 0.02 1 871 222 83 GLU HB2 H 2.262 0.02 2 872 222 83 GLU HB3 H 2.170 0.02 2 873 222 83 GLU HG2 H 2.353 0.02 2 874 222 83 GLU HG3 H 2.232 0.02 2 875 222 83 GLU C C 176.313 0.1 1 876 222 83 GLU CA C 57.915 0.1 1 877 222 83 GLU CB C 28.451 0.1 1 878 222 83 GLU CG C 35.771 0.1 1 879 222 83 GLU N N 114.700 0.1 1 880 223 84 ASP H H 8.352 0.02 1 881 223 84 ASP HA H 4.697 0.02 1 882 223 84 ASP HB2 H 3.148 0.02 2 883 223 84 ASP HB3 H 3.035 0.02 2 884 223 84 ASP C C 177.475 0.1 1 885 223 84 ASP CA C 54.660 0.1 1 886 223 84 ASP CB C 40.900 0.1 1 887 223 84 ASP N N 120.836 0.1 1 888 224 85 LEU H H 7.191 0.02 1 889 224 85 LEU HA H 4.115 0.02 1 890 224 85 LEU HB2 H 1.958 0.02 2 891 224 85 LEU HB3 H 1.860 0.02 2 892 224 85 LEU HD1 H 1.186 0.02 2 893 224 85 LEU HD2 H 0.974 0.02 2 894 224 85 LEU HG H 1.952 0.02 1 895 224 85 LEU C C 175.172 0.1 1 896 224 85 LEU CA C 58.032 0.1 1 897 224 85 LEU CB C 41.600 0.1 1 898 224 85 LEU CD1 C 26.014 0.1 1 899 224 85 LEU CD2 C 24.592 0.1 1 900 224 85 LEU CG C 27.300 0.1 1 901 224 85 LEU N N 122.669 0.1 1 902 225 86 ALA H H 7.822 0.02 1 903 225 86 ALA HA H 4.420 0.02 1 904 225 86 ALA HB H 1.043 0.02 1 905 225 86 ALA C C 175.364 0.1 1 906 225 86 ALA CA C 52.300 0.1 1 907 225 86 ALA CB C 20.886 0.1 1 908 225 86 ALA N N 126.545 0.1 1 909 226 87 THR H H 7.832 0.02 1 910 226 87 THR HA H 5.294 0.02 1 911 226 87 THR HB H 3.835 0.02 1 912 226 87 THR HG2 H 0.621 0.02 1 913 226 87 THR C C 172.960 0.1 1 914 226 87 THR CA C 62.163 0.1 1 915 226 87 THR CB C 69.414 0.1 1 916 226 87 THR CG2 C 20.781 0.1 1 917 226 87 THR N N 114.400 0.1 1 918 227 88 TYR H H 8.623 0.02 1 919 227 88 TYR HA H 5.313 0.02 1 920 227 88 TYR HB2 H 2.554 0.02 2 921 227 88 TYR HB3 H 2.611 0.02 2 922 227 88 TYR HD1 H 6.824 0.02 1 923 227 88 TYR HD2 H 6.824 0.02 1 924 227 88 TYR HE1 H 6.774 0.02 1 925 227 88 TYR HE2 H 6.774 0.02 1 926 227 88 TYR HH H 10.619 0.02 1 927 227 88 TYR C C 176.707 0.1 1 928 227 88 TYR CA C 56.500 0.1 1 929 227 88 TYR CB C 41.600 0.1 1 930 227 88 TYR CD1 C 133.600 0.1 1 931 227 88 TYR CE1 C 117.553 0.1 1 932 227 88 TYR N N 124.630 0.1 1 933 228 89 TYR H H 9.036 0.02 1 934 228 89 TYR HA H 5.532 0.02 1 935 228 89 TYR HB2 H 3.435 0.02 2 936 228 89 TYR HB3 H 2.625 0.02 2 937 228 89 TYR HD1 H 7.110 0.02 1 938 228 89 TYR HD2 H 7.110 0.02 1 939 228 89 TYR HE1 H 6.740 0.02 1 940 228 89 TYR HE2 H 6.740 0.02 1 941 228 89 TYR C C 174.836 0.1 1 942 228 89 TYR CA C 58.100 0.1 1 943 228 89 TYR CB C 45.800 0.1 1 944 228 89 TYR CD1 C 132.047 0.1 1 945 228 89 TYR CE1 C 118.847 0.1 1 946 228 89 TYR N N 119.084 0.1 1 947 229 90 CYS H H 7.482 0.02 1 948 229 90 CYS HA H 5.458 0.02 1 949 229 90 CYS HB2 H 2.353 0.02 2 950 229 90 CYS HB3 H 1.169 0.02 2 951 229 90 CYS C C 172.773 0.1 1 952 229 90 CYS CA C 52.375 0.1 1 953 229 90 CYS CB C 45.750 0.1 1 954 229 90 CYS N N 114.893 0.1 1 955 230 91 GLN H H 8.761 0.02 1 956 230 91 GLN HA H 4.909 0.02 1 957 230 91 GLN HB2 H 1.186 0.02 2 958 230 91 GLN HB3 H 1.768 0.02 2 959 230 91 GLN HE21 H 6.025 0.02 2 960 230 91 GLN HE22 H 6.025 0.02 2 961 230 91 GLN HG2 H 0.882 0.02 2 962 230 91 GLN HG3 H 1.663 0.02 2 963 230 91 GLN C C 174.548 0.1 1 964 230 91 GLN CA C 54.514 0.1 1 965 230 91 GLN CB C 32.808 0.1 1 966 230 91 GLN CG C 33.779 0.1 1 967 230 91 GLN N N 121.900 0.1 1 968 230 91 GLN NE2 N 111.908 0.1 1 969 231 92 GLN H H 8.190 0.02 1 970 231 92 GLN HA H 5.325 0.02 1 971 231 92 GLN HB2 H 2.580 0.02 2 972 231 92 GLN HB3 H 1.960 0.02 2 973 231 92 GLN HE21 H 7.355 0.02 2 974 231 92 GLN HE22 H 7.528 0.02 2 975 231 92 GLN HG2 H 2.251 0.02 2 976 231 92 GLN HG3 H 2.914 0.02 2 977 231 92 GLN C C 175.172 0.1 1 978 231 92 GLN CA C 53.137 0.1 1 979 231 92 GLN CB C 28.900 0.1 1 980 231 92 GLN CG C 31.514 0.1 1 981 231 92 GLN N N 125.000 0.1 1 982 231 92 GLN NE2 N 110.444 0.1 1 983 232 93 TYR H H 7.860 0.02 1 984 232 93 TYR HA H 4.243 0.02 1 985 232 93 TYR HB2 H 2.520 0.02 2 986 232 93 TYR HB3 H 1.426 0.02 2 987 232 93 TYR HD1 H 6.748 0.02 1 988 232 93 TYR HD2 H 6.748 0.02 1 989 232 93 TYR HE1 H 6.657 0.02 1 990 232 93 TYR HE2 H 6.657 0.02 1 991 232 93 TYR C C 174.212 0.1 1 992 232 93 TYR CA C 55.200 0.1 1 993 232 93 TYR CB C 36.035 0.1 1 994 232 93 TYR CD1 C 134.894 0.1 1 995 232 93 TYR CE1 C 118.070 0.1 1 996 232 93 TYR N N 118.082 0.1 1 997 233 94 ASP H H 8.683 0.02 1 998 233 94 ASP HA H 4.196 0.02 1 999 233 94 ASP HB2 H 2.662 0.02 2 1000 233 94 ASP HB3 H 2.954 0.02 2 1001 233 94 ASP C C 176.803 0.1 1 1002 233 94 ASP CA C 56.800 0.1 1 1003 233 94 ASP CB C 43.500 0.1 1 1004 233 94 ASP N N 122.100 0.1 1 1005 234 95 ASN H H 8.226 0.02 1 1006 234 95 ASN HA H 4.910 0.02 1 1007 234 95 ASN HB2 H 2.563 0.02 2 1008 234 95 ASN HB3 H 2.657 0.02 2 1009 234 95 ASN HD21 H 7.649 0.02 2 1010 234 95 ASN HD22 H 6.656 0.02 2 1011 234 95 ASN C C 173.540 0.1 1 1012 234 95 ASN CA C 52.405 0.1 1 1013 234 95 ASN CB C 43.500 0.1 1 1014 234 95 ASN N N 113.400 0.1 1 1015 234 95 ASN ND2 N 113.657 0.1 1 1016 235 96 LEU H H 8.269 0.02 1 1017 235 96 LEU HA H 3.678 0.02 1 1018 235 96 LEU HB2 H 1.280 0.02 2 1019 235 96 LEU HB3 H 0.340 0.02 2 1020 235 96 LEU HD1 H 0.576 0.02 2 1021 235 96 LEU HD2 H -0.459 0.02 2 1022 235 96 LEU HG H 1.045 0.02 1 1023 235 96 LEU C C 175.320 0.1 1 1024 235 96 LEU CA C 53.192 0.1 1 1025 235 96 LEU CB C 42.191 0.1 1 1026 235 96 LEU CD1 C 25.600 0.1 1 1027 235 96 LEU CD2 C 22.778 0.1 1 1028 235 96 LEU CG C 27.308 0.1 1 1029 235 96 LEU N N 123.400 0.1 1 1030 236 97 PRO HA H 3.449 0.02 1 1031 236 97 PRO HB2 H 2.029 0.02 2 1032 236 97 PRO HB3 H 2.029 0.02 2 1033 236 97 PRO HD2 H 3.215 0.02 2 1034 236 97 PRO HD3 H 3.773 0.02 2 1035 236 97 PRO HG2 H 2.032 0.02 2 1036 236 97 PRO HG3 H 2.032 0.02 2 1037 236 97 PRO CA C 61.927 0.1 1 1038 236 97 PRO CB C 34.750 0.1 1 1039 236 97 PRO CD C 50.603 0.1 1 1040 236 97 PRO CG C 24.720 0.1 1 1041 237 98 TYR H H 5.290 0.02 1 1042 237 98 TYR HA H 5.074 0.02 1 1043 237 98 TYR HB2 H 2.754 0.02 2 1044 237 98 TYR HB3 H 3.288 0.02 2 1045 237 98 TYR HD1 H 6.648 0.02 1 1046 237 98 TYR HD2 H 6.648 0.02 1 1047 237 98 TYR HE1 H 6.020 0.02 1 1048 237 98 TYR HE2 H 6.020 0.02 1 1049 237 98 TYR C C 175.795 0.1 1 1050 237 98 TYR CA C 55.457 0.1 1 1051 237 98 TYR CB C 36.700 0.1 1 1052 237 98 TYR CD1 C 131.271 0.1 1 1053 237 98 TYR CE1 C 118.847 0.1 1 1054 237 98 TYR N N 122.184 0.1 1 1055 238 99 THR H H 7.254 0.02 1 1056 238 99 THR HA H 4.898 0.02 1 1057 238 99 THR HB H 4.626 0.02 1 1058 238 99 THR HG2 H 1.497 0.02 1 1059 238 99 THR C C 173.205 0.1 1 1060 238 99 THR CA C 60.113 0.1 1 1061 238 99 THR CB C 72.314 0.1 1 1062 238 99 THR CG2 C 24.211 0.1 1 1063 238 99 THR N N 111.900 0.1 1 1064 239 100 PHE H H 8.779 0.02 1 1065 239 100 PHE HA H 5.384 0.02 1 1066 239 100 PHE HB2 H 2.943 0.02 2 1067 239 100 PHE HB3 H 3.709 0.02 2 1068 239 100 PHE HD1 H 7.109 0.02 1 1069 239 100 PHE HD2 H 7.109 0.02 1 1070 239 100 PHE HE1 H 6.628 0.02 1 1071 239 100 PHE HE2 H 6.628 0.02 1 1072 239 100 PHE HZ H 6.235 0.02 1 1073 239 100 PHE C C 179.682 0.1 1 1074 239 100 PHE CA C 57.240 0.1 1 1075 239 100 PHE CB C 43.559 0.1 1 1076 239 100 PHE CD1 C 132.047 0.1 1 1077 239 100 PHE CE1 C 131.012 0.1 1 1078 239 100 PHE CZ C 128.682 0.1 1 1079 239 100 PHE N N 120.867 0.1 1 1080 240 101 GLY H H 8.922 0.02 1 1081 240 101 GLY HA2 H 4.395 0.02 2 1082 240 101 GLY HA3 H 4.395 0.02 2 1083 240 101 GLY C C 173.396 0.1 1 1084 240 101 GLY CA C 45.135 0.1 1 1085 240 101 GLY N N 107.500 0.1 1 1086 241 102 GLN H H 8.474 0.02 1 1087 241 102 GLN HA H 4.454 0.02 1 1088 241 102 GLN HB2 H 2.495 0.02 2 1089 241 102 GLN HB3 H 2.606 0.02 2 1090 241 102 GLN HE21 H 7.825 0.02 2 1091 241 102 GLN HE22 H 7.381 0.02 2 1092 241 102 GLN HG2 H 2.869 0.02 2 1093 241 102 GLN HG3 H 2.869 0.02 2 1094 241 102 GLN C C 177.283 0.1 1 1095 241 102 GLN CA C 58.852 0.1 1 1096 241 102 GLN CB C 28.300 0.1 1 1097 241 102 GLN CG C 34.119 0.1 1 1098 241 102 GLN N N 113.400 0.1 1 1099 241 102 GLN NE2 N 112.973 0.1 1 1100 242 103 GLY H H 7.088 0.02 1 1101 242 103 GLY HA2 H 3.697 0.02 2 1102 242 103 GLY HA3 H 4.004 0.02 2 1103 242 103 GLY C C 172.677 0.1 1 1104 242 103 GLY CA C 45.832 0.1 1 1105 242 103 GLY N N 106.701 0.1 1 1106 243 104 THR H H 7.986 0.02 1 1107 243 104 THR HA H 4.780 0.02 1 1108 243 104 THR HB H 3.735 0.02 1 1109 243 104 THR HG2 H 1.032 0.02 1 1110 243 104 THR C C 174.051 0.1 1 1111 243 104 THR CA C 61.636 0.1 1 1112 243 104 THR CB C 72.658 0.1 1 1113 243 104 THR CG2 C 21.543 0.1 1 1114 243 104 THR N N 116.700 0.1 1 1115 244 105 LYS H H 8.310 0.02 1 1116 244 105 LYS HA H 4.642 0.02 1 1117 244 105 LYS HB2 H 1.813 0.02 2 1118 244 105 LYS HB3 H 1.985 0.02 2 1119 244 105 LYS HD2 H 1.741 0.02 2 1120 244 105 LYS HD3 H 1.649 0.02 2 1121 244 105 LYS HE2 H 3.044 0.02 2 1122 244 105 LYS HE3 H 2.974 0.02 2 1123 244 105 LYS HG2 H 1.472 0.02 2 1124 244 105 LYS HG3 H 1.375 0.02 2 1125 244 105 LYS C C 174.172 0.1 1 1126 244 105 LYS CA C 56.800 0.1 1 1127 244 105 LYS CB C 33.500 0.1 1 1128 244 105 LYS CD C 29.800 0.1 1 1129 244 105 LYS CE C 42.200 0.1 1 1130 244 105 LYS CG C 25.227 0.1 1 1131 244 105 LYS N N 129.800 0.1 1 1132 245 106 LEU H H 8.497 0.02 1 1133 245 106 LEU HA H 5.276 0.02 1 1134 245 106 LEU HB2 H 1.704 0.02 2 1135 245 106 LEU HB3 H 2.230 0.02 2 1136 245 106 LEU HD1 H 0.933 0.02 2 1137 245 106 LEU HD2 H 0.949 0.02 2 1138 245 106 LEU HG H 1.801 0.02 1 1139 245 106 LEU C C 175.316 0.1 1 1140 245 106 LEU CA C 54.500 0.1 1 1141 245 106 LEU CB C 44.800 0.1 1 1142 245 106 LEU CD1 C 26.400 0.1 1 1143 245 106 LEU CD2 C 26.400 0.1 1 1144 245 106 LEU CG C 28.279 0.1 1 1145 245 106 LEU N N 129.808 0.1 1 1146 246 107 GLU H H 8.805 0.02 1 1147 246 107 GLU HA H 4.710 0.02 1 1148 246 107 GLU HB2 H 2.089 0.02 2 1149 246 107 GLU HB3 H 1.976 0.02 2 1150 246 107 GLU HG2 H 2.219 0.02 2 1151 246 107 GLU HG3 H 2.219 0.02 2 1152 246 107 GLU C C 174.452 0.1 1 1153 246 107 GLU CA C 54.700 0.1 1 1154 246 107 GLU CB C 33.200 0.1 1 1155 246 107 GLU CG C 37.041 0.1 1 1156 246 107 GLU N N 124.200 0.1 1 1157 247 108 ILE H H 7.852 0.02 1 1158 247 108 ILE HA H 4.969 0.02 1 1159 247 108 ILE HB H 1.829 0.02 1 1160 247 108 ILE HD1 H 0.849 0.02 1 1161 247 108 ILE HG12 H 1.209 0.02 2 1162 247 108 ILE HG13 H 1.582 0.02 2 1163 247 108 ILE HG2 H 0.917 0.02 1 1164 247 108 ILE C C 176.475 0.1 1 1165 247 108 ILE CA C 59.100 0.1 1 1166 247 108 ILE CB C 39.300 0.1 1 1167 247 108 ILE CD1 C 13.286 0.1 1 1168 247 108 ILE CG1 C 28.657 0.1 1 1169 247 108 ILE CG2 C 18.186 0.1 1 1170 247 108 ILE N N 120.775 0.1 1 1171 248 109 LYS H H 8.531 0.02 1 1172 248 109 LYS HA H 4.303 0.02 1 1173 248 109 LYS HB2 H 1.600 0.02 2 1174 248 109 LYS HB3 H 1.763 0.02 2 1175 248 109 LYS HD2 H 1.652 0.02 2 1176 248 109 LYS HD3 H 1.652 0.02 2 1177 248 109 LYS HE2 H 2.960 0.02 2 1178 248 109 LYS HE3 H 2.960 0.02 2 1179 248 109 LYS HG2 H 1.375 0.02 2 1180 248 109 LYS HG3 H 1.375 0.02 2 1181 248 109 LYS C C 175.263 0.1 1 1182 248 109 LYS CA C 56.654 0.1 1 1183 248 109 LYS CB C 33.565 0.1 1 1184 248 109 LYS CD C 29.673 0.1 1 1185 248 109 LYS CE C 42.191 0.1 1 1186 248 109 LYS CG C 25.100 0.1 1 1187 248 109 LYS N N 129.321 0.1 1 1188 249 110 ARG H H 8.153 0.02 1 1189 249 110 ARG HA H 4.263 0.02 1 1190 249 110 ARG HB2 H 1.918 0.02 2 1191 249 110 ARG HB3 H 1.788 0.02 2 1192 249 110 ARG HD2 H 3.261 0.02 2 1193 249 110 ARG HD3 H 3.261 0.02 2 1194 249 110 ARG HG2 H 1.697 0.02 2 1195 249 110 ARG HG3 H 1.697 0.02 2 1196 249 110 ARG C C 180.978 0.1 1 1197 249 110 ARG CA C 57.721 0.1 1 1198 249 110 ARG CB C 31.870 0.1 1 1199 249 110 ARG CD C 43.809 0.1 1 1200 249 110 ARG CG C 27.308 0.1 1 1201 249 110 ARG N N 129.640 0.1 1 stop_ save_