data_15581 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of Mason-Pfizer monkey virus capsid protein, CA 1-140 ; _BMRB_accession_number 15581 _BMRB_flat_file_name bmr15581.str _Entry_type original _Submission_date 2007-12-05 _Accession_date 2007-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macek Pavel . . 2 Zidek Lukas . . 3 Rumlova Michaela . . 4 Sklenar Vladimir . . 5 Pichova Iva . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 737 "13C chemical shifts" 564 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-03-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignment of the N-terminal domain of Mason-Pfizer monkey virus capsid protein, CA 1-140' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macek Pavel . . 2 Zidek Lukas . . 3 Rumlova Michaela . . 4 Pichova Iva . . 5 Sklenar Vladimir . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 43 _Page_last 45 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MPMV NTD CA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MPMV NTD CA' $MPMV_NTD_CA 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_MPMV_NTD_CA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPMV_NTD_CA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; PVTETVDGQGQAWRHHNGFD FAVIKELKTAASQYGATAPY TLAIVESVADNWLTPTDWNT LVRAVLSGGDHLLWKSEFFE NCRDTAKRNQQAGNGWDFDM LTGSGNYSSTDAQMQYDPGL FAQIQAAATKAWRKLPVKGD ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 VAL 3 THR 4 GLU 5 THR 6 VAL 7 ASP 8 GLY 9 GLN 10 GLY 11 GLN 12 ALA 13 TRP 14 ARG 15 HIS 16 HIS 17 ASN 18 GLY 19 PHE 20 ASP 21 PHE 22 ALA 23 VAL 24 ILE 25 LYS 26 GLU 27 LEU 28 LYS 29 THR 30 ALA 31 ALA 32 SER 33 GLN 34 TYR 35 GLY 36 ALA 37 THR 38 ALA 39 PRO 40 TYR 41 THR 42 LEU 43 ALA 44 ILE 45 VAL 46 GLU 47 SER 48 VAL 49 ALA 50 ASP 51 ASN 52 TRP 53 LEU 54 THR 55 PRO 56 THR 57 ASP 58 TRP 59 ASN 60 THR 61 LEU 62 VAL 63 ARG 64 ALA 65 VAL 66 LEU 67 SER 68 GLY 69 GLY 70 ASP 71 HIS 72 LEU 73 LEU 74 TRP 75 LYS 76 SER 77 GLU 78 PHE 79 PHE 80 GLU 81 ASN 82 CYS 83 ARG 84 ASP 85 THR 86 ALA 87 LYS 88 ARG 89 ASN 90 GLN 91 GLN 92 ALA 93 GLY 94 ASN 95 GLY 96 TRP 97 ASP 98 PHE 99 ASP 100 MET 101 LEU 102 THR 103 GLY 104 SER 105 GLY 106 ASN 107 TYR 108 SER 109 SER 110 THR 111 ASP 112 ALA 113 GLN 114 MET 115 GLN 116 TYR 117 ASP 118 PRO 119 GLY 120 LEU 121 PHE 122 ALA 123 GLN 124 ILE 125 GLN 126 ALA 127 ALA 128 ALA 129 THR 130 LYS 131 ALA 132 TRP 133 ARG 134 LYS 135 LEU 136 PRO 137 VAL 138 LYS 139 GLY 140 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 16234 MPMV_NTD_CA 100.00 140 100.00 100.00 1.49e-98 PDB 2KGF "N-Terminal Domain Of Capsid Protein From The Mason-Pfizer Monkey Virus" 100.00 140 100.00 100.00 1.49e-98 PDB 4ARD "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" 82.86 116 100.00 100.00 9.82e-79 DBJ BAD89356 "gag [Simian type D retrovirus -Tsukuba]" 100.00 659 97.14 98.57 3.40e-91 DBJ BAQ21760 "gag protein [Simian retrovirus 4]" 100.00 659 97.14 98.57 3.44e-91 DBJ BAQ21764 "gag protein [Simian retrovirus 4]" 100.00 659 97.14 98.57 3.44e-91 GB AAA47710 "gag polyprotein [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 GB AAA47730 "gag polyprotein [Simian retrovirus 1]" 100.00 658 98.57 99.29 1.36e-92 GB AAC82573 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 100.00 100.00 1.22e-91 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 PIR FOLJSA "gag polyprotein - simian AIDS retrovirus SRV-1" 100.00 658 98.57 99.29 1.36e-92 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 100.00 100.00 1.22e-91 REF NP_056893 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 REF NP_954560 "p27 [Mason-Pfizer monkey virus]" 100.00 228 100.00 100.00 3.92e-98 REF NP_954565 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 SP P04022 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00 658 98.57 99.29 1.36e-92 SP P07567 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00 657 100.00 100.00 1.44e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_NTD_CA 'Mason-Pfizer monkey virus' 11855 Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' 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 $MPMV_NTD_CA 'recombinant technology' . Escherichia coli . CANTDpET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MPMV_NTD_CA 0.7-1.0 mM '[U-100% 15N]' NaCl 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 8.0 . pH pressure 1 . atm temperature 298.0 . 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 carbon' ppm 0 external indirect . . . 1.0 DSS H 1 'methyl protons' ppm 0 external indirect . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 external indirect . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'MPMV NTD CA' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 PRO HA H 4.136 . 1 2 1 1 PRO HB2 H 1.972 . 2 3 1 1 PRO C C 170.900 . 1 4 1 1 PRO CA C 62.126 . 1 5 1 1 PRO CB C 31.631 . 1 6 2 2 VAL H H 8.992 . 1 7 2 2 VAL HA H 5.370 . 1 8 2 2 VAL HB H 2.106 . 1 9 2 2 VAL HG1 H 1.563 . 1 10 2 2 VAL HG2 H 1.176 . 1 11 2 2 VAL C C 174.325 . 1 12 2 2 VAL CA C 61.267 . 1 13 2 2 VAL CB C 33.890 . 1 14 2 2 VAL CG1 C 22.670 . 2 15 2 2 VAL CG2 C 24.056 . 2 16 2 2 VAL N N 126.939 . 1 17 3 3 THR H H 8.912 . 1 18 3 3 THR HA H 4.505 . 1 19 3 3 THR HB H 4.020 . 1 20 3 3 THR HG2 H 0.957 . 1 21 3 3 THR C C 172.710 . 1 22 3 3 THR CA C 59.689 . 1 23 3 3 THR CB C 72.398 . 1 24 3 3 THR CG2 C 52.126 . 1 25 3 3 THR N N 118.091 . 1 26 4 4 GLU H H 8.631 . 1 27 4 4 GLU HA H 5.788 . 1 28 4 4 GLU HB2 H 2.135 . 2 29 4 4 GLU HB3 H 2.075 . 2 30 4 4 GLU HG2 H 2.253 . 2 31 4 4 GLU HG3 H 2.135 . 2 32 4 4 GLU C C 175.758 . 1 33 4 4 GLU CA C 54.902 . 1 34 4 4 GLU CB C 35.097 . 1 35 4 4 GLU CG C 38.923 . 1 36 4 4 GLU N N 120.966 . 1 37 5 5 THR H H 9.188 . 1 38 5 5 THR HA H 4.739 . 1 39 5 5 THR HB H 4.186 . 1 40 5 5 THR HG2 H 1.135 . 1 41 5 5 THR C C 172.757 . 1 42 5 5 THR CA C 60.382 . 1 43 5 5 THR CB C 71.558 . 1 44 5 5 THR CG2 C 51.840 . 1 45 5 5 THR N N 119.366 . 1 46 6 6 VAL H H 8.476 . 1 47 6 6 VAL HA H 5.026 . 1 48 6 6 VAL HB H 1.921 . 1 49 6 6 VAL HG1 H 0.920 . 1 50 6 6 VAL HG2 H 0.911 . 1 51 6 6 VAL C C 176.674 . 1 52 6 6 VAL CA C 61.008 . 1 53 6 6 VAL CB C 33.861 . 1 54 6 6 VAL CG1 C 21.029 . 2 55 6 6 VAL CG2 C 21.029 . 2 56 6 6 VAL N N 121.384 . 1 57 7 7 ASP H H 8.848 . 1 58 7 7 ASP HA H 4.797 . 1 59 7 7 ASP HB2 H 3.412 . 2 60 7 7 ASP HB3 H 2.861 . 2 61 7 7 ASP CA C 52.834 . 1 62 7 7 ASP CB C 42.219 . 1 63 7 7 ASP N N 127.061 . 1 64 8 8 GLY C C 175.143 . 1 65 8 8 GLY CA C 46.553 . 1 66 9 9 GLN H H 8.408 . 1 67 9 9 GLN HA H 4.541 . 1 68 9 9 GLN HB2 H 2.371 . 2 69 9 9 GLN HB3 H 2.175 . 2 70 9 9 GLN HE21 H 7.601 . 2 71 9 9 GLN HE22 H 6.844 . 2 72 9 9 GLN HG2 H 2.379 . 2 73 9 9 GLN HG3 H 2.366 . 2 74 9 9 GLN C C 176.463 . 1 75 9 9 GLN CA C 55.167 . 1 76 9 9 GLN CB C 29.376 . 1 77 9 9 GLN CG C 34.721 . 1 78 9 9 GLN N N 118.300 . 1 79 9 9 GLN NE2 N 112.287 . 1 80 10 10 GLY H H 8.162 . 1 81 10 10 GLY HA2 H 4.174 . 2 82 10 10 GLY HA3 H 3.521 . 2 83 10 10 GLY C C 174.092 . 1 84 10 10 GLY CA C 45.558 . 1 85 10 10 GLY N N 108.747 . 1 86 11 11 GLN H H 8.507 . 1 87 11 11 GLN HA H 4.202 . 1 88 11 11 GLN HB2 H 2.195 . 2 89 11 11 GLN HB3 H 2.045 . 2 90 11 11 GLN HE21 H 7.647 . 2 91 11 11 GLN HE22 H 6.781 . 2 92 11 11 GLN HG2 H 1.952 . 2 93 11 11 GLN HG3 H 1.952 . 2 94 11 11 GLN C C 173.992 . 1 95 11 11 GLN CA C 55.098 . 1 96 11 11 GLN CB C 29.097 . 1 97 11 11 GLN CG C 33.925 . 1 98 11 11 GLN N N 122.979 . 1 99 11 11 GLN NE2 N 113.483 . 1 100 12 12 ALA H H 8.259 . 1 101 12 12 ALA HA H 5.156 . 1 102 12 12 ALA HB H 1.250 . 1 103 12 12 ALA C C 177.284 . 1 104 12 12 ALA CA C 51.087 . 1 105 12 12 ALA CB C 20.500 . 1 106 12 12 ALA N N 127.100 . 1 107 13 13 TRP H H 9.245 . 1 108 13 13 TRP HA H 4.717 . 1 109 13 13 TRP HB2 H 3.119 . 2 110 13 13 TRP HB3 H 2.961 . 2 111 13 13 TRP HD1 H 7.160 . 1 112 13 13 TRP HE1 H 10.313 . 1 113 13 13 TRP HE3 H 7.733 . 1 114 13 13 TRP HH2 H 7.189 . 1 115 13 13 TRP HZ2 H 7.399 . 1 116 13 13 TRP HZ3 H 7.120 . 1 117 13 13 TRP C C 175.108 . 1 118 13 13 TRP CA C 55.966 . 1 119 13 13 TRP CB C 31.912 . 1 120 13 13 TRP CD1 C 128.676 . 1 121 13 13 TRP CE3 C 120.781 . 1 122 13 13 TRP CH2 C 124.331 . 1 123 13 13 TRP CZ2 C 114.430 . 1 124 13 13 TRP CZ3 C 121.675 . 1 125 13 13 TRP N N 123.088 . 1 126 13 13 TRP NE1 N 130.207 . 1 127 14 14 ARG H H 8.575 . 1 128 14 14 ARG HA H 5.335 . 1 129 14 14 ARG HB2 H 1.906 . 2 130 14 14 ARG HB3 H 1.539 . 2 131 14 14 ARG HD2 H 3.451 . 2 132 14 14 ARG HD3 H 3.250 . 2 133 14 14 ARG HE H 8.848 . 1 134 14 14 ARG HG2 H 1.874 . 2 135 14 14 ARG HG3 H 1.649 . 2 136 14 14 ARG C C 175.191 . 1 137 14 14 ARG CA C 53.106 . 1 138 14 14 ARG CB C 32.749 . 1 139 14 14 ARG CD C 43.414 . 1 140 14 14 ARG N N 121.163 . 1 141 14 14 ARG NE N 116.362 . 1 142 15 15 HIS H H 8.595 . 1 143 15 15 HIS HA H 4.790 . 1 144 15 15 HIS HB2 H 2.913 . 2 145 15 15 HIS HB3 H 2.877 . 2 146 15 15 HIS HD2 H 6.731 . 1 147 15 15 HIS C C 173.770 . 1 148 15 15 HIS CA C 55.289 . 1 149 15 15 HIS CB C 33.208 . 1 150 15 15 HIS CD2 C 121.402 . 1 151 15 15 HIS N N 117.643 . 1 152 16 16 HIS H H 8.993 . 1 153 16 16 HIS HA H 5.158 . 1 154 16 16 HIS HB2 H 2.864 . 2 155 16 16 HIS HB3 H 2.833 . 2 156 16 16 HIS HD2 H 6.516 . 1 157 16 16 HIS C C 173.608 . 1 158 16 16 HIS CA C 56.450 . 1 159 16 16 HIS CB C 34.171 . 1 160 16 16 HIS CD2 C 115.914 . 1 161 16 16 HIS N N 123.520 . 1 162 17 17 ASN H H 7.829 . 1 163 17 17 ASN HA H 4.713 . 1 164 17 17 ASN HB2 H 2.465 . 2 165 17 17 ASN HB3 H 2.266 . 2 166 17 17 ASN HD21 H 7.427 . 2 167 17 17 ASN HD22 H 6.757 . 2 168 17 17 ASN C C 173.682 . 1 169 17 17 ASN CA C 51.822 . 1 170 17 17 ASN CB C 43.176 . 1 171 17 17 ASN N N 122.213 . 1 172 17 17 ASN ND2 N 113.659 . 1 173 18 18 GLY H H 8.423 . 1 174 18 18 GLY HA2 H 3.931 . 2 175 18 18 GLY HA3 H 3.707 . 2 176 18 18 GLY C C 173.985 . 1 177 18 18 GLY CA C 43.949 . 1 178 18 18 GLY N N 106.991 . 1 179 19 19 PHE H H 8.338 . 1 180 19 19 PHE HA H 4.068 . 1 181 19 19 PHE HB2 H 2.746 . 2 182 19 19 PHE HB3 H 2.463 . 2 183 19 19 PHE C C 176.568 . 1 184 19 19 PHE CA C 59.338 . 1 185 19 19 PHE CB C 40.201 . 1 186 19 19 PHE N N 116.857 . 1 187 20 20 ASP H H 8.794 . 1 188 20 20 ASP HA H 4.485 . 1 189 20 20 ASP HB2 H 2.676 . 2 190 20 20 ASP HB3 H 2.646 . 2 191 20 20 ASP C C 177.379 . 1 192 20 20 ASP CA C 54.140 . 1 193 20 20 ASP CB C 41.915 . 1 194 20 20 ASP N N 123.025 . 1 195 21 21 PHE H H 8.862 . 1 196 21 21 PHE HA H 4.087 . 1 197 21 21 PHE HB2 H 3.221 . 2 198 21 21 PHE HB3 H 3.008 . 2 199 21 21 PHE HD1 H 7.224 . 3 200 21 21 PHE HD2 H 7.224 . 3 201 21 21 PHE HE1 H 7.301 . 3 202 21 21 PHE HE2 H 7.301 . 3 203 21 21 PHE HZ H 7.253 . 1 204 21 21 PHE C C 176.952 . 1 205 21 21 PHE CA C 61.095 . 1 206 21 21 PHE CB C 38.678 . 1 207 21 21 PHE CD1 C 131.662 . 3 208 21 21 PHE CD2 C 131.662 . 3 209 21 21 PHE CE1 C 131.350 . 3 210 21 21 PHE CE2 C 131.350 . 3 211 21 21 PHE CZ C 129.679 . 1 212 21 21 PHE N N 127.163 . 1 213 22 22 ALA H H 8.561 . 1 214 22 22 ALA HA H 3.878 . 1 215 22 22 ALA HB H 1.353 . 1 216 22 22 ALA C C 180.710 . 1 217 22 22 ALA CA C 55.211 . 1 218 22 22 ALA CB C 18.321 . 1 219 22 22 ALA N N 120.293 . 1 220 23 23 VAL H H 7.241 . 1 221 23 23 VAL HA H 3.684 . 1 222 23 23 VAL HB H 2.083 . 1 223 23 23 VAL HG1 H 0.941 . 1 224 23 23 VAL HG2 H 0.693 . 1 225 23 23 VAL C C 177.101 . 1 226 23 23 VAL CA C 65.237 . 1 227 23 23 VAL CB C 31.780 . 1 228 23 23 VAL CG1 C 22.418 . 2 229 23 23 VAL CG2 C 20.201 . 2 230 23 23 VAL N N 118.775 . 1 231 24 24 ILE H H 6.761 . 1 232 24 24 ILE HA H 3.196 . 1 233 24 24 ILE HB H 1.749 . 1 234 24 24 ILE HD1 H 0.343 . 1 235 24 24 ILE HG12 H 1.209 . 2 236 24 24 ILE HG13 H 0.933 . 2 237 24 24 ILE HG2 H 0.638 . 1 238 24 24 ILE C C 177.287 . 1 239 24 24 ILE CA C 63.404 . 1 240 24 24 ILE CB C 36.294 . 1 241 24 24 ILE CD1 C 10.549 . 1 242 24 24 ILE CG1 C 27.767 . 1 243 24 24 ILE CG2 C 17.327 . 1 244 24 24 ILE N N 119.036 . 1 245 25 25 LYS H H 8.032 . 1 246 25 25 LYS HA H 3.809 . 1 247 25 25 LYS HB2 H 1.627 . 2 248 25 25 LYS HB3 H 1.473 . 2 249 25 25 LYS HD2 H 1.591 . 2 250 25 25 LYS HD3 H 1.591 . 2 251 25 25 LYS HE2 H 2.911 . 2 252 25 25 LYS HE3 H 2.911 . 2 253 25 25 LYS HG2 H 1.309 . 2 254 25 25 LYS HG3 H 1.264 . 2 255 25 25 LYS C C 179.450 . 1 256 25 25 LYS CA C 59.621 . 1 257 25 25 LYS CB C 32.259 . 1 258 25 25 LYS CD C 29.457 . 1 259 25 25 LYS CE C 42.072 . 1 260 25 25 LYS CG C 24.598 . 1 261 25 25 LYS N N 118.368 . 1 262 26 26 GLU H H 7.845 . 1 263 26 26 GLU HA H 4.021 . 1 264 26 26 GLU HB2 H 2.093 . 2 265 26 26 GLU HB3 H 2.017 . 2 266 26 26 GLU HG2 H 2.232 . 2 267 26 26 GLU HG3 H 2.232 . 2 268 26 26 GLU C C 179.191 . 1 269 26 26 GLU CA C 59.530 . 1 270 26 26 GLU CB C 29.449 . 1 271 26 26 GLU CG C 39.229 . 1 272 26 26 GLU N N 120.522 . 1 273 27 27 LEU H H 8.165 . 1 274 27 27 LEU HA H 4.163 . 1 275 27 27 LEU HB2 H 1.757 . 2 276 27 27 LEU HB3 H 1.438 . 2 277 27 27 LEU HD1 H 0.839 . 1 278 27 27 LEU HD2 H 0.553 . 1 279 27 27 LEU HG H 1.515 . 1 280 27 27 LEU C C 177.256 . 1 281 27 27 LEU CA C 58.049 . 1 282 27 27 LEU CB C 41.365 . 1 283 27 27 LEU CD1 C 23.699 . 2 284 27 27 LEU CD2 C 25.930 . 2 285 27 27 LEU CG C 27.160 . 1 286 27 27 LEU N N 120.879 . 1 287 28 28 LYS H H 8.902 . 1 288 28 28 LYS HA H 4.199 . 1 289 28 28 LYS C C 179.707 . 1 290 28 28 LYS CA C 60.097 . 1 291 28 28 LYS CB C 33.420 . 1 292 28 28 LYS N N 120.050 . 1 293 29 29 THR H H 8.294 . 1 294 29 29 THR HA H 3.892 . 1 295 29 29 THR HB H 4.254 . 1 296 29 29 THR HG2 H 1.218 . 1 297 29 29 THR C C 175.711 . 1 298 29 29 THR CA C 66.846 . 1 299 29 29 THR CB C 68.794 . 1 300 29 29 THR CG2 C 21.286 . 1 301 29 29 THR N N 115.933 . 1 302 30 30 ALA H H 8.244 . 1 303 30 30 ALA HA H 4.241 . 1 304 30 30 ALA HB H 1.769 . 1 305 30 30 ALA C C 179.128 . 1 306 30 30 ALA CA C 55.714 . 1 307 30 30 ALA CB C 18.955 . 1 308 30 30 ALA N N 124.617 . 1 309 31 31 ALA H H 8.968 . 1 310 31 31 ALA HA H 3.890 . 1 311 31 31 ALA HB H 1.499 . 1 312 31 31 ALA C C 180.352 . 1 313 31 31 ALA CA C 55.454 . 1 314 31 31 ALA CB C 17.124 . 1 315 31 31 ALA N N 119.327 . 1 316 32 32 SER H H 7.995 . 1 317 32 32 SER HA H 4.238 . 1 318 32 32 SER HB2 H 3.982 . 2 319 32 32 SER HB3 H 3.982 . 2 320 32 32 SER C C 175.612 . 1 321 32 32 SER CA C 61.203 . 1 322 32 32 SER CB C 63.406 . 1 323 32 32 SER N N 111.962 . 1 324 33 33 GLN H H 8.333 . 1 325 33 33 GLN HA H 3.992 . 1 326 33 33 GLN HB2 H 1.696 . 2 327 33 33 GLN HB3 H 1.324 . 2 328 33 33 GLN HE21 H 6.983 . 2 329 33 33 GLN HE22 H 6.648 . 2 330 33 33 GLN HG2 H 2.029 . 2 331 33 33 GLN HG3 H 1.723 . 2 332 33 33 GLN C C 177.486 . 1 333 33 33 GLN CA C 58.277 . 1 334 33 33 GLN CB C 29.140 . 1 335 33 33 GLN CG C 33.412 . 1 336 33 33 GLN N N 119.527 . 1 337 33 33 GLN NE2 N 110.539 . 1 338 34 34 TYR H H 8.587 . 1 339 34 34 TYR HA H 4.792 . 1 340 34 34 TYR HB2 H 3.219 . 2 341 34 34 TYR HB3 H 2.916 . 2 342 34 34 TYR HD1 H 7.164 . 3 343 34 34 TYR HD2 H 7.164 . 3 344 34 34 TYR HE1 H 6.537 . 3 345 34 34 TYR HE2 H 6.537 . 3 346 34 34 TYR C C 176.499 . 1 347 34 34 TYR CA C 57.711 . 1 348 34 34 TYR CB C 39.561 . 1 349 34 34 TYR CD1 C 132.893 . 3 350 34 34 TYR CD2 C 132.893 . 3 351 34 34 TYR CE1 C 117.943 . 3 352 34 34 TYR CE2 C 117.943 . 3 353 34 34 TYR N N 114.610 . 1 354 35 35 GLY H H 7.346 . 1 355 35 35 GLY HA2 H 4.785 . 2 356 35 35 GLY HA3 H 4.007 . 2 357 35 35 GLY C C 175.796 . 1 358 35 35 GLY CA C 44.355 . 1 359 35 35 GLY N N 108.501 . 1 360 36 36 ALA H H 9.363 . 1 361 36 36 ALA HA H 4.217 . 1 362 36 36 ALA HB H 1.326 . 1 363 36 36 ALA C C 178.039 . 1 364 36 36 ALA CA C 56.114 . 1 365 36 36 ALA CB C 19.179 . 1 366 36 36 ALA N N 125.811 . 1 367 37 37 THR H H 8.070 . 1 368 37 37 THR HA H 4.570 . 1 369 37 37 THR HB H 4.763 . 1 370 37 37 THR HG2 H 1.227 . 1 371 37 37 THR C C 173.685 . 1 372 37 37 THR CA C 59.822 . 1 373 37 37 THR CB C 68.267 . 1 374 37 37 THR CG2 C 22.996 . 1 375 37 37 THR N N 129.410 . 1 376 38 38 ALA H H 6.853 . 1 377 38 38 ALA HA H 4.601 . 1 378 38 38 ALA HB H 1.579 . 1 379 38 38 ALA CA C 50.758 . 1 380 38 38 ALA CB C 18.325 . 1 381 38 38 ALA N N 124.674 . 1 382 40 40 TYR HA H 4.032 . 1 383 40 40 TYR HB2 H 2.853 . 2 384 40 40 TYR HB3 H 2.229 . 2 385 40 40 TYR HD1 H 6.735 . 3 386 40 40 TYR HD2 H 6.735 . 3 387 40 40 TYR HE1 H 6.729 . 3 388 40 40 TYR HE2 H 6.729 . 3 389 40 40 TYR C C 176.456 . 1 390 40 40 TYR CA C 61.010 . 1 391 40 40 TYR CB C 39.286 . 1 392 40 40 TYR CD1 C 132.827 . 3 393 40 40 TYR CD2 C 132.827 . 3 394 40 40 TYR CE1 C 117.978 . 3 395 40 40 TYR CE2 C 117.978 . 3 396 41 41 THR H H 6.874 . 1 397 41 41 THR HA H 3.616 . 1 398 41 41 THR HB H 4.351 . 1 399 41 41 THR HG2 H 1.394 . 1 400 41 41 THR C C 176.930 . 1 401 41 41 THR CA C 65.557 . 1 402 41 41 THR CB C 68.228 . 1 403 41 41 THR CG2 C 24.959 . 1 404 41 41 THR N N 115.143 . 1 405 42 42 LEU H H 8.623 . 1 406 42 42 LEU HA H 3.708 . 1 407 42 42 LEU HB2 H 1.762 . 2 408 42 42 LEU HB3 H 1.344 . 2 409 42 42 LEU HD1 H 0.864 . 1 410 42 42 LEU HD2 H 0.837 . 1 411 42 42 LEU HG H 1.704 . 1 412 42 42 LEU C C 178.206 . 1 413 42 42 LEU CA C 57.417 . 1 414 42 42 LEU CB C 41.342 . 1 415 42 42 LEU CD1 C 23.658 . 2 416 42 42 LEU CD2 C 25.838 . 2 417 42 42 LEU CG C 26.676 . 1 418 42 42 LEU N N 120.418 . 1 419 43 43 ALA H H 7.735 . 1 420 43 43 ALA HA H 4.020 . 1 421 43 43 ALA HB H 1.322 . 1 422 43 43 ALA C C 180.826 . 1 423 43 43 ALA CA C 54.925 . 1 424 43 43 ALA CB C 17.506 . 1 425 43 43 ALA N N 120.203 . 1 426 44 44 ILE H H 7.149 . 1 427 44 44 ILE HA H 3.603 . 1 428 44 44 ILE HB H 1.846 . 1 429 44 44 ILE HD1 H 0.593 . 1 430 44 44 ILE HG12 H 1.493 . 2 431 44 44 ILE HG13 H 0.746 . 2 432 44 44 ILE HG2 H 0.646 . 1 433 44 44 ILE C C 178.594 . 1 434 44 44 ILE CA C 64.782 . 1 435 44 44 ILE CB C 37.472 . 1 436 44 44 ILE CD1 C 14.289 . 1 437 44 44 ILE CG1 C 27.401 . 1 438 44 44 ILE CG2 C 18.242 . 1 439 44 44 ILE N N 118.881 . 1 440 45 45 VAL H H 7.968 . 1 441 45 45 VAL HA H 2.925 . 1 442 45 45 VAL HB H 1.603 . 1 443 45 45 VAL HG1 H 0.230 . 1 444 45 45 VAL HG2 H -0.238 . 1 445 45 45 VAL C C 177.023 . 1 446 45 45 VAL CA C 67.081 . 1 447 45 45 VAL CB C 30.854 . 1 448 45 45 VAL CG1 C 19.534 . 2 449 45 45 VAL CG2 C 22.076 . 2 450 45 45 VAL N N 120.764 . 1 451 46 46 GLU H H 8.399 . 1 452 46 46 GLU HA H 3.848 . 1 453 46 46 GLU HB2 H 1.947 . 2 454 46 46 GLU HB3 H 1.947 . 2 455 46 46 GLU HG2 H 2.360 . 2 456 46 46 GLU HG3 H 2.153 . 2 457 46 46 GLU C C 178.656 . 1 458 46 46 GLU CA C 59.491 . 1 459 46 46 GLU CB C 28.991 . 1 460 46 46 GLU CG C 36.632 . 1 461 46 46 GLU N N 116.599 . 1 462 47 47 SER H H 7.273 . 1 463 47 47 SER HA H 4.287 . 1 464 47 47 SER HB2 H 3.939 . 1 465 47 47 SER CA C 61.047 . 1 466 47 47 SER CB C 63.016 . 1 467 47 47 SER N N 113.609 . 1 468 48 48 VAL H H 8.006 . 1 469 48 48 VAL HA H 3.556 . 1 470 48 48 VAL HB H 1.806 . 1 471 48 48 VAL HG1 H 0.736 . 1 472 48 48 VAL HG2 H 0.547 . 1 473 48 48 VAL C C 177.257 . 1 474 48 48 VAL CA C 65.025 . 1 475 48 48 VAL CB C 31.841 . 1 476 48 48 VAL CG1 C 22.820 . 2 477 48 48 VAL CG2 C 21.269 . 2 478 48 48 VAL N N 122.327 . 1 479 49 49 ALA H H 8.369 . 1 480 49 49 ALA HA H 4.115 . 1 481 49 49 ALA HB H 1.653 . 1 482 49 49 ALA C C 177.307 . 1 483 49 49 ALA CA C 53.253 . 1 484 49 49 ALA CB C 20.131 . 1 485 49 49 ALA N N 118.050 . 1 486 50 50 ASP H H 7.052 . 1 487 50 50 ASP HA H 4.788 . 1 488 50 50 ASP HB2 H 2.821 . 2 489 50 50 ASP HB3 H 2.584 . 2 490 50 50 ASP C C 175.481 . 1 491 50 50 ASP CA C 53.681 . 1 492 50 50 ASP CB C 39.333 . 1 493 50 50 ASP N N 116.997 . 1 494 51 51 ASN H H 8.535 . 1 495 51 51 ASN HA H 4.628 . 1 496 51 51 ASN HB2 H 2.413 . 2 497 51 51 ASN HB3 H 2.389 . 2 498 51 51 ASN HD21 H 7.809 . 2 499 51 51 ASN HD22 H 6.772 . 2 500 51 51 ASN C C 174.077 . 1 501 51 51 ASN CA C 52.315 . 1 502 51 51 ASN CB C 41.928 . 1 503 51 51 ASN N N 118.626 . 1 504 51 51 ASN ND2 N 114.340 . 1 505 52 52 TRP H H 8.555 . 1 506 52 52 TRP HD1 H 6.859 . 1 507 52 52 TRP HE1 H 10.038 . 1 508 52 52 TRP HE3 H 6.714 . 1 509 52 52 TRP HH2 H 7.179 . 1 510 52 52 TRP HZ2 H 7.518 . 1 511 52 52 TRP HZ3 H 7.008 . 1 512 52 52 TRP C C 173.269 . 1 513 52 52 TRP CA C 55.031 . 1 514 52 52 TRP CB C 26.801 . 1 515 52 52 TRP CD1 C 122.248 . 1 516 52 52 TRP CE3 C 119.842 . 1 517 52 52 TRP CH2 C 124.884 . 1 518 52 52 TRP CZ2 C 114.269 . 1 519 52 52 TRP CZ3 C 121.207 . 1 520 52 52 TRP N N 120.693 . 1 521 52 52 TRP NE1 N 126.301 . 1 522 53 53 LEU H H 7.847 . 1 523 53 53 LEU HA H 4.859 . 1 524 53 53 LEU HB2 H 2.065 . 2 525 53 53 LEU HB3 H 1.235 . 2 526 53 53 LEU HD1 H 0.429 . 1 527 53 53 LEU HD2 H 0.248 . 1 528 53 53 LEU HG H 1.500 . 1 529 53 53 LEU C C 177.397 . 1 530 53 53 LEU CA C 53.619 . 1 531 53 53 LEU CB C 41.812 . 1 532 53 53 LEU CD1 C 24.085 . 2 533 53 53 LEU CD2 C 24.162 . 2 534 53 53 LEU CG C 28.724 . 1 535 53 53 LEU N N 124.741 . 1 536 54 54 THR H H 8.850 . 1 537 54 54 THR HA H 4.598 . 1 538 54 54 THR HB H 5.609 . 1 539 54 54 THR HG2 H 1.206 . 1 540 54 54 THR CA C 60.531 . 1 541 54 54 THR CB C 67.183 . 1 542 54 54 THR CG2 C 22.695 . 1 543 54 54 THR N N 113.407 . 1 544 55 55 PRO HA H 4.511 . 1 545 55 55 PRO HB2 H 2.565 . 2 546 55 55 PRO HB3 H 1.936 . 2 547 55 55 PRO HD2 H 3.542 . 2 548 55 55 PRO HD3 H 3.542 . 2 549 55 55 PRO HG2 H 2.504 . 2 550 55 55 PRO HG3 H 2.240 . 2 551 55 55 PRO C C 179.383 . 1 552 55 55 PRO CA C 67.159 . 1 553 55 55 PRO CB C 32.095 . 1 554 56 56 THR H H 8.575 . 1 555 56 56 THR HA H 4.229 . 1 556 56 56 THR HB H 4.241 . 1 557 56 56 THR HG2 H 1.260 . 1 558 56 56 THR C C 176.668 . 1 559 56 56 THR CA C 66.943 . 1 560 56 56 THR CB C 68.129 . 1 561 56 56 THR CG2 C 22.293 . 1 562 56 56 THR N N 114.855 . 1 563 57 57 ASP H H 8.730 . 1 564 57 57 ASP HA H 4.425 . 1 565 57 57 ASP HB2 H 3.060 . 2 566 57 57 ASP HB3 H 3.060 . 2 567 57 57 ASP C C 178.351 . 1 568 57 57 ASP CA C 57.963 . 1 569 57 57 ASP CB C 40.134 . 1 570 57 57 ASP N N 126.239 . 1 571 58 58 TRP H H 8.244 . 1 572 58 58 TRP HA H 4.030 . 1 573 58 58 TRP HB2 H 3.299 . 2 574 58 58 TRP HB3 H 3.112 . 2 575 58 58 TRP HD1 H 6.891 . 1 576 58 58 TRP HE1 H 10.564 . 1 577 58 58 TRP HE3 H 7.190 . 1 578 58 58 TRP HH2 H 6.641 . 1 579 58 58 TRP HZ2 H 7.326 . 1 580 58 58 TRP C C 177.432 . 1 581 58 58 TRP CA C 62.731 . 1 582 58 58 TRP CB C 29.122 . 1 583 58 58 TRP CD1 C 124.964 . 1 584 58 58 TRP CE3 C 120.577 . 1 585 58 58 TRP CH2 C 123.245 . 1 586 58 58 TRP CZ2 C 114.615 . 1 587 58 58 TRP N N 119.241 . 1 588 58 58 TRP NE1 N 127.669 . 1 589 59 59 ASN H H 8.098 . 1 590 59 59 ASN HA H 4.424 . 1 591 59 59 ASN HB2 H 3.056 . 2 592 59 59 ASN HB3 H 3.056 . 2 593 59 59 ASN C C 176.952 . 1 594 59 59 ASN CA C 58.135 . 1 595 59 59 ASN CB C 40.168 . 1 596 59 59 ASN N N 115.747 . 1 597 60 60 THR H H 8.712 . 1 598 60 60 THR HA H 3.717 . 1 599 60 60 THR HB H 4.579 . 1 600 60 60 THR HG2 H 1.310 . 1 601 60 60 THR C C 176.044 . 1 602 60 60 THR CA C 66.576 . 1 603 60 60 THR CB C 69.251 . 1 604 60 60 THR CG2 C 21.003 . 1 605 60 60 THR N N 114.896 . 1 606 61 61 LEU H H 8.485 . 1 607 61 61 LEU HA H 3.391 . 1 608 61 61 LEU HB2 H 1.526 . 2 609 61 61 LEU HB3 H 1.035 . 2 610 61 61 LEU HD1 H -0.078 . 1 611 61 61 LEU HD2 H -0.242 . 1 612 61 61 LEU HG H 0.886 . 1 613 61 61 LEU C C 177.433 . 1 614 61 61 LEU CA C 58.354 . 1 615 61 61 LEU CB C 41.761 . 1 616 61 61 LEU CD1 C 24.793 . 2 617 61 61 LEU CD2 C 22.445 . 2 618 61 61 LEU CG C 26.255 . 1 619 61 61 LEU N N 123.433 . 1 620 62 62 VAL H H 8.073 . 1 621 62 62 VAL HA H 3.207 . 1 622 62 62 VAL HB H 1.401 . 1 623 62 62 VAL HG1 H 0.623 . 1 624 62 62 VAL HG2 H 0.000 . 1 625 62 62 VAL C C 177.585 . 1 626 62 62 VAL CA C 67.345 . 1 627 62 62 VAL CB C 30.905 . 1 628 62 62 VAL CG1 C 21.939 . 2 629 62 62 VAL CG2 C 20.695 . 2 630 62 62 VAL N N 116.018 . 1 631 63 63 ARG H H 7.765 . 1 632 63 63 ARG HA H 3.602 . 1 633 63 63 ARG HB2 H 1.527 . 2 634 63 63 ARG HB3 H 1.192 . 2 635 63 63 ARG HD2 H 2.957 . 2 636 63 63 ARG HD3 H 2.844 . 2 637 63 63 ARG HG2 H 1.245 . 2 638 63 63 ARG HG3 H 1.200 . 2 639 63 63 ARG C C 177.818 . 1 640 63 63 ARG CA C 58.049 . 1 641 63 63 ARG CB C 29.955 . 1 642 63 63 ARG CD C 43.593 . 1 643 63 63 ARG CG C 27.211 . 1 644 63 63 ARG N N 116.700 . 1 645 64 64 ALA H H 7.574 . 1 646 64 64 ALA HA H 4.158 . 1 647 64 64 ALA HB H 1.429 . 1 648 64 64 ALA C C 179.886 . 1 649 64 64 ALA CA C 54.007 . 1 650 64 64 ALA CB C 19.147 . 1 651 64 64 ALA N N 117.555 . 1 652 65 65 VAL H H 7.554 . 1 653 65 65 VAL HA H 4.253 . 1 654 65 65 VAL HB H 2.074 . 1 655 65 65 VAL HG1 H 1.026 . 1 656 65 65 VAL HG2 H 0.930 . 1 657 65 65 VAL C C 174.180 . 1 658 65 65 VAL CA C 62.683 . 1 659 65 65 VAL CB C 33.458 . 1 660 65 65 VAL CG1 C 19.812 . 2 661 65 65 VAL CG2 C 22.163 . 2 662 65 65 VAL N N 110.013 . 1 663 66 66 LEU H H 7.792 . 1 664 66 66 LEU HA H 4.790 . 1 665 66 66 LEU HB2 H 1.667 . 2 666 66 66 LEU HB3 H 1.628 . 2 667 66 66 LEU HD1 H 0.667 . 1 668 66 66 LEU HD2 H 0.103 . 1 669 66 66 LEU HG H 1.452 . 1 670 66 66 LEU C C 177.537 . 1 671 66 66 LEU CA C 52.823 . 1 672 66 66 LEU CB C 44.071 . 1 673 66 66 LEU CD1 C 21.788 . 2 674 66 66 LEU CD2 C 26.889 . 2 675 66 66 LEU CG C 26.386 . 1 676 66 66 LEU N N 118.967 . 1 677 67 67 SER H H 9.208 . 1 678 67 67 SER HA H 4.414 . 1 679 67 67 SER HB2 H 4.234 . 2 680 67 67 SER HB3 H 4.094 . 2 681 67 67 SER CA C 57.943 . 1 682 67 67 SER CB C 64.743 . 1 683 67 67 SER N N 116.378 . 1 684 69 69 GLY HA2 H 3.916 . 2 685 69 69 GLY HA3 H 3.867 . 2 686 69 69 GLY C C 176.783 . 1 687 69 69 GLY CA C 46.977 . 1 688 70 70 ASP H H 7.674 . 1 689 70 70 ASP HA H 4.511 . 1 690 70 70 ASP HB2 H 2.743 . 2 691 70 70 ASP HB3 H 2.442 . 2 692 70 70 ASP C C 178.096 . 1 693 70 70 ASP CA C 57.262 . 1 694 70 70 ASP CB C 40.594 . 1 695 70 70 ASP N N 123.930 . 1 696 71 71 HIS H H 8.729 . 1 697 71 71 HIS HA H 4.235 . 1 698 71 71 HIS HB2 H 3.398 . 2 699 71 71 HIS HB3 H 3.028 . 2 700 71 71 HIS C C 176.769 . 1 701 71 71 HIS CA C 60.041 . 1 702 71 71 HIS CB C 30.682 . 1 703 71 71 HIS N N 121.003 . 1 704 72 72 LEU H H 7.620 . 1 705 72 72 LEU HA H 3.769 . 1 706 72 72 LEU HB2 H 1.875 . 2 707 72 72 LEU HB3 H 1.520 . 2 708 72 72 LEU HD1 H 0.906 . 1 709 72 72 LEU HD2 H 0.827 . 1 710 72 72 LEU HG H 1.857 . 1 711 72 72 LEU C C 180.275 . 1 712 72 72 LEU CA C 58.192 . 1 713 72 72 LEU CB C 41.381 . 1 714 72 72 LEU CD1 C 25.069 . 2 715 72 72 LEU CD2 C 22.955 . 2 716 72 72 LEU CG C 26.672 . 1 717 72 72 LEU N N 118.569 . 1 718 73 73 LEU H H 7.542 . 1 719 73 73 LEU HA H 4.107 . 1 720 73 73 LEU HB2 H 1.887 . 2 721 73 73 LEU HB3 H 1.571 . 2 722 73 73 LEU HD1 H 0.920 . 1 723 73 73 LEU HD2 H 0.870 . 1 724 73 73 LEU HG H 1.758 . 1 725 73 73 LEU C C 179.436 . 1 726 73 73 LEU CA C 58.026 . 1 727 73 73 LEU CB C 41.638 . 1 728 73 73 LEU CD1 C 25.082 . 2 729 73 73 LEU CD2 C 23.543 . 2 730 73 73 LEU CG C 26.803 . 1 731 73 73 LEU N N 121.418 . 1 732 74 74 TRP H H 8.786 . 1 733 74 74 TRP HA H 3.589 . 1 734 74 74 TRP HB2 H 2.939 . 2 735 74 74 TRP HB3 H 2.939 . 2 736 74 74 TRP HD1 H 6.727 . 1 737 74 74 TRP HE1 H 10.452 . 1 738 74 74 TRP HE3 H 7.204 . 1 739 74 74 TRP HH2 H 6.684 . 1 740 74 74 TRP HZ2 H 7.033 . 1 741 74 74 TRP HZ3 H 6.595 . 1 742 74 74 TRP C C 176.816 . 1 743 74 74 TRP CA C 63.046 . 1 744 74 74 TRP CB C 28.065 . 1 745 74 74 TRP CD1 C 126.763 . 1 746 74 74 TRP CE3 C 118.963 . 1 747 74 74 TRP CH2 C 123.169 . 1 748 74 74 TRP CZ2 C 113.049 . 1 749 74 74 TRP CZ3 C 120.748 . 1 750 74 74 TRP N N 121.111 . 1 751 74 74 TRP NE1 N 129.583 . 1 752 75 75 LYS H H 8.939 . 1 753 75 75 LYS HA H 3.055 . 1 754 75 75 LYS HB2 H 1.609 . 2 755 75 75 LYS HB3 H 1.609 . 2 756 75 75 LYS HD2 H 1.646 . 2 757 75 75 LYS HD3 H 1.522 . 2 758 75 75 LYS HE2 H 2.880 . 2 759 75 75 LYS HE3 H 2.743 . 2 760 75 75 LYS HG2 H 1.261 . 2 761 75 75 LYS HG3 H 0.942 . 2 762 75 75 LYS C C 177.967 . 1 763 75 75 LYS CA C 60.029 . 1 764 75 75 LYS CB C 32.533 . 1 765 75 75 LYS CD C 42.043 . 1 766 75 75 LYS CE C 42.107 . 1 767 75 75 LYS CG C 25.087 . 1 768 75 75 LYS N N 119.783 . 1 769 76 76 SER H H 7.832 . 1 770 76 76 SER HA H 4.040 . 1 771 76 76 SER HB2 H 3.953 . 2 772 76 76 SER HB3 H 3.953 . 2 773 76 76 SER C C 177.816 . 1 774 76 76 SER CA C 62.105 . 1 775 76 76 SER CB C 62.679 . 1 776 76 76 SER N N 113.395 . 1 777 77 77 GLU H H 7.590 . 1 778 77 77 GLU HA H 4.042 . 1 779 77 77 GLU HB2 H 1.840 . 2 780 77 77 GLU HB3 H 1.933 . 2 781 77 77 GLU HG2 H 2.148 . 2 782 77 77 GLU HG3 H 2.357 . 2 783 77 77 GLU C C 177.809 . 1 784 77 77 GLU CA C 58.270 . 1 785 77 77 GLU CB C 29.208 . 1 786 77 77 GLU CG C 35.353 . 1 787 77 77 GLU N N 121.574 . 1 788 78 78 PHE H H 9.081 . 1 789 78 78 PHE HA H 3.778 . 1 790 78 78 PHE HB2 H 2.207 . 2 791 78 78 PHE HB3 H 1.489 . 2 792 78 78 PHE HD1 H 6.627 . 3 793 78 78 PHE HD2 H 6.627 . 3 794 78 78 PHE HE1 H 7.213 . 3 795 78 78 PHE HE2 H 7.213 . 3 796 78 78 PHE HZ H 7.370 . 1 797 78 78 PHE C C 178.114 . 1 798 78 78 PHE CA C 60.629 . 1 799 78 78 PHE CB C 38.295 . 1 800 78 78 PHE CD1 C 131.151 . 3 801 78 78 PHE CD2 C 131.151 . 3 802 78 78 PHE CE1 C 130.799 . 3 803 78 78 PHE CE2 C 130.799 . 3 804 78 78 PHE N N 122.682 . 1 805 79 79 PHE H H 8.890 . 1 806 79 79 PHE HA H 3.800 . 1 807 79 79 PHE HB2 H 3.491 . 2 808 79 79 PHE HB3 H 3.105 . 2 809 79 79 PHE HD1 H 7.310 . 3 810 79 79 PHE HD2 H 7.310 . 3 811 79 79 PHE HE1 H 7.470 . 3 812 79 79 PHE HE2 H 7.470 . 3 813 79 79 PHE HZ H 7.383 . 1 814 79 79 PHE C C 178.354 . 1 815 79 79 PHE CA C 60.704 . 1 816 79 79 PHE CB C 37.184 . 1 817 79 79 PHE CD1 C 130.485 . 3 818 79 79 PHE CD2 C 130.485 . 3 819 79 79 PHE CE1 C 131.102 . 3 820 79 79 PHE CE2 C 131.102 . 3 821 79 79 PHE CZ C 129.643 . 1 822 79 79 PHE N N 121.056 . 1 823 80 80 GLU H H 7.793 . 1 824 80 80 GLU HA H 4.082 . 1 825 80 80 GLU HB2 H 2.052 . 2 826 80 80 GLU HB3 H 2.052 . 2 827 80 80 GLU HG2 H 2.382 . 2 828 80 80 GLU HG3 H 2.273 . 2 829 80 80 GLU C C 179.068 . 1 830 80 80 GLU CA C 59.735 . 1 831 80 80 GLU CB C 28.722 . 1 832 80 80 GLU CG C 35.427 . 1 833 80 80 GLU N N 120.312 . 1 834 81 81 ASN H H 8.624 . 1 835 81 81 ASN HA H 4.521 . 1 836 81 81 ASN HB2 H 2.919 . 2 837 81 81 ASN HB3 H 2.919 . 2 838 81 81 ASN HD21 H 7.732 . 2 839 81 81 ASN HD22 H 6.732 . 2 840 81 81 ASN C C 179.262 . 1 841 81 81 ASN CA C 55.504 . 1 842 81 81 ASN CB C 37.517 . 1 843 81 81 ASN N N 119.338 . 1 844 81 81 ASN ND2 N 109.791 . 1 845 82 82 CYS H H 8.554 . 1 846 82 82 CYS HA H 3.792 . 1 847 82 82 CYS HB2 H 2.542 . 2 848 82 82 CYS HB3 H 1.876 . 2 849 82 82 CYS C C 176.478 . 1 850 82 82 CYS CA C 65.232 . 1 851 82 82 CYS CB C 26.762 . 1 852 82 82 CYS N N 120.576 . 1 853 83 83 ARG H H 8.522 . 1 854 83 83 ARG HA H 3.932 . 1 855 83 83 ARG HB2 H 2.010 . 2 856 83 83 ARG HB3 H 1.825 . 2 857 83 83 ARG HD2 H 2.981 . 2 858 83 83 ARG HD3 H 2.950 . 2 859 83 83 ARG HE H 6.950 . 1 860 83 83 ARG HG2 H 1.684 . 2 861 83 83 ARG HG3 H 1.304 . 2 862 83 83 ARG C C 179.138 . 1 863 83 83 ARG CA C 60.443 . 1 864 83 83 ARG CB C 29.550 . 1 865 83 83 ARG CD C 42.931 . 1 866 83 83 ARG CG C 28.518 . 1 867 83 83 ARG N N 123.035 . 1 868 83 83 ARG NE N 126.710 . 1 869 84 84 ASP H H 7.791 . 1 870 84 84 ASP HA H 4.353 . 1 871 84 84 ASP HB2 H 2.819 . 2 872 84 84 ASP HB3 H 2.755 . 2 873 84 84 ASP C C 178.649 . 1 874 84 84 ASP CA C 57.767 . 1 875 84 84 ASP CB C 41.305 . 1 876 84 84 ASP N N 120.332 . 1 877 85 85 THR H H 8.370 . 1 878 85 85 THR HA H 3.730 . 1 879 85 85 THR HB H 4.046 . 1 880 85 85 THR HG2 H 1.188 . 1 881 85 85 THR C C 175.198 . 1 882 85 85 THR CA C 66.830 . 1 883 85 85 THR CB C 68.533 . 1 884 85 85 THR CG2 C 22.887 . 1 885 85 85 THR N N 117.360 . 1 886 86 86 ALA H H 8.845 . 1 887 86 86 ALA HA H 3.991 . 1 888 86 86 ALA HB H 1.565 . 1 889 86 86 ALA C C 179.980 . 1 890 86 86 ALA CA C 55.769 . 1 891 86 86 ALA CB C 17.881 . 1 892 86 86 ALA N N 123.613 . 1 893 87 87 LYS H H 7.686 . 1 894 87 87 LYS HA H 4.099 . 1 895 87 87 LYS HB2 H 1.963 . 2 896 87 87 LYS HB3 H 1.963 . 2 897 87 87 LYS HD2 H 1.672 . 2 898 87 87 LYS HD3 H 1.672 . 2 899 87 87 LYS HE2 H 2.905 . 2 900 87 87 LYS HE3 H 2.905 . 2 901 87 87 LYS HG2 H 1.550 . 2 902 87 87 LYS HG3 H 1.386 . 2 903 87 87 LYS C C 179.592 . 1 904 87 87 LYS CA C 59.708 . 1 905 87 87 LYS CB C 32.054 . 1 906 87 87 LYS CD C 29.278 . 1 907 87 87 LYS CE C 42.059 . 1 908 87 87 LYS CG C 24.937 . 1 909 87 87 LYS N N 119.623 . 1 910 88 88 ARG H H 7.683 . 1 911 88 88 ARG HA H 4.051 . 1 912 88 88 ARG HB2 H 1.949 . 2 913 88 88 ARG HB3 H 1.907 . 2 914 88 88 ARG HD2 H 3.224 . 2 915 88 88 ARG HD3 H 3.115 . 2 916 88 88 ARG HG2 H 1.789 . 2 917 88 88 ARG HG3 H 1.606 . 2 918 88 88 ARG C C 180.053 . 1 919 88 88 ARG CA C 59.558 . 1 920 88 88 ARG CB C 29.684 . 1 921 88 88 ARG CD C 43.436 . 1 922 88 88 ARG CG C 28.216 . 1 923 88 88 ARG N N 120.788 . 1 924 89 89 ASN H H 8.973 . 1 925 89 89 ASN HA H 4.354 . 1 926 89 89 ASN HB2 H 3.403 . 2 927 89 89 ASN HB3 H 3.032 . 2 928 89 89 ASN HD21 H 7.836 . 2 929 89 89 ASN HD22 H 7.123 . 2 930 89 89 ASN C C 178.382 . 1 931 89 89 ASN CA C 55.334 . 1 932 89 89 ASN CB C 37.864 . 1 933 89 89 ASN N N 121.012 . 1 934 89 89 ASN ND2 N 105.872 . 1 935 90 90 GLN H H 8.152 . 1 936 90 90 GLN HA H 4.020 . 1 937 90 90 GLN HB2 H 2.234 . 2 938 90 90 GLN HB3 H 2.234 . 2 939 90 90 GLN HE21 H 9.444 . 2 940 90 90 GLN HE22 H 7.854 . 2 941 90 90 GLN HG2 H 2.517 . 2 942 90 90 GLN HG3 H 2.373 . 2 943 90 90 GLN C C 179.075 . 1 944 90 90 GLN CA C 59.318 . 1 945 90 90 GLN CB C 28.049 . 1 946 90 90 GLN CG C 33.940 . 1 947 90 90 GLN N N 122.122 . 1 948 90 90 GLN NE2 N 114.486 . 1 949 91 91 GLN H H 7.514 . 1 950 91 91 GLN HA H 4.053 . 1 951 91 91 GLN HB2 H 2.156 . 2 952 91 91 GLN HB3 H 2.156 . 2 953 91 91 GLN HE21 H 7.480 . 2 954 91 91 GLN HE22 H 6.798 . 2 955 91 91 GLN HG2 H 2.501 . 2 956 91 91 GLN HG3 H 2.398 . 2 957 91 91 GLN C C 177.081 . 1 958 91 91 GLN CA C 58.031 . 1 959 91 91 GLN CB C 28.365 . 1 960 91 91 GLN CG C 33.962 . 1 961 91 91 GLN N N 118.124 . 1 962 91 91 GLN NE2 N 111.746 . 1 963 92 92 ALA H H 7.704 . 1 964 92 92 ALA HA H 4.246 . 1 965 92 92 ALA HB H 1.397 . 1 966 92 92 ALA C C 178.450 . 1 967 92 92 ALA CA C 52.671 . 1 968 92 92 ALA CB C 19.316 . 1 969 92 92 ALA N N 119.880 . 1 970 93 93 GLY H H 7.693 . 1 971 93 93 GLY HA2 H 3.941 . 2 972 93 93 GLY HA3 H 3.744 . 2 973 93 93 GLY C C 174.344 . 1 974 93 93 GLY CA C 45.949 . 1 975 93 93 GLY N N 105.347 . 1 976 94 94 ASN H H 7.076 . 1 977 94 94 ASN HA H 4.115 . 1 978 94 94 ASN HB2 H 1.971 . 2 979 94 94 ASN HB3 H 1.556 . 2 980 94 94 ASN HD21 H 6.924 . 2 981 94 94 ASN C C 175.410 . 1 982 94 94 ASN CA C 52.651 . 1 983 94 94 ASN CB C 38.330 . 1 984 94 94 ASN N N 115.747 . 1 985 94 94 ASN ND2 N 109.692 . 1 986 95 95 GLY H H 8.236 . 1 987 95 95 GLY HA2 H 3.633 . 2 988 95 95 GLY HA3 H 3.633 . 2 989 95 95 GLY C C 174.450 . 1 990 95 95 GLY CA C 45.522 . 1 991 95 95 GLY N N 109.166 . 1 992 96 96 TRP H H 7.899 . 1 993 96 96 TRP HA H 5.241 . 1 994 96 96 TRP HB2 H 3.333 . 2 995 96 96 TRP HB3 H 2.449 . 2 996 96 96 TRP HD1 H 6.630 . 1 997 96 96 TRP HE1 H 9.903 . 1 998 96 96 TRP HE3 H 7.349 . 1 999 96 96 TRP HH2 H 6.961 . 1 1000 96 96 TRP HZ2 H 7.230 . 1 1001 96 96 TRP HZ3 H 6.639 . 1 1002 96 96 TRP C C 175.661 . 1 1003 96 96 TRP CA C 55.090 . 1 1004 96 96 TRP CB C 27.138 . 1 1005 96 96 TRP CD1 C 124.122 . 1 1006 96 96 TRP CE3 C 121.792 . 1 1007 96 96 TRP CH2 C 123.849 . 1 1008 96 96 TRP CZ2 C 113.576 . 1 1009 96 96 TRP CZ3 C 124.953 . 1 1010 96 96 TRP N N 122.840 . 1 1011 96 96 TRP NE1 N 126.811 . 1 1012 97 97 ASP H H 7.344 . 1 1013 97 97 ASP HA H 4.829 . 1 1014 97 97 ASP HB2 H 3.246 . 2 1015 97 97 ASP HB3 H 2.589 . 2 1016 97 97 ASP C C 175.019 . 1 1017 97 97 ASP CA C 52.149 . 1 1018 97 97 ASP CB C 42.697 . 1 1019 97 97 ASP N N 126.861 . 1 1020 98 98 PHE H H 8.566 . 1 1021 98 98 PHE HA H 3.727 . 1 1022 98 98 PHE HB2 H 2.911 . 2 1023 98 98 PHE HB3 H 2.864 . 2 1024 98 98 PHE HD1 H 6.783 . 3 1025 98 98 PHE HD2 H 6.783 . 3 1026 98 98 PHE HE1 H 7.133 . 3 1027 98 98 PHE HE2 H 7.133 . 3 1028 98 98 PHE HZ H 6.643 . 1 1029 98 98 PHE C C 177.443 . 1 1030 98 98 PHE CA C 62.471 . 1 1031 98 98 PHE CB C 39.919 . 1 1032 98 98 PHE CD1 C 131.371 . 3 1033 98 98 PHE CD2 C 131.371 . 3 1034 98 98 PHE CE1 C 131.662 . 3 1035 98 98 PHE CE2 C 131.662 . 3 1036 98 98 PHE CZ C 129.820 . 1 1037 98 98 PHE N N 117.781 . 1 1038 99 99 ASP H H 8.259 . 1 1039 99 99 ASP HA H 3.960 . 1 1040 99 99 ASP HB2 H 2.952 . 2 1041 99 99 ASP HB3 H 2.936 . 2 1042 99 99 ASP C C 178.132 . 1 1043 99 99 ASP CA C 57.658 . 1 1044 99 99 ASP CB C 38.572 . 1 1045 99 99 ASP N N 121.709 . 1 1046 100 100 MET H H 8.008 . 1 1047 100 100 MET HA H 3.644 . 1 1048 100 100 MET HB2 H 1.666 . 2 1049 100 100 MET HB3 H 1.120 . 2 1050 100 100 MET HG2 H 2.045 . 2 1051 100 100 MET HG3 H 0.544 . 2 1052 100 100 MET C C 180.008 . 1 1053 100 100 MET CA C 58.598 . 1 1054 100 100 MET CB C 33.423 . 1 1055 100 100 MET CG C 31.447 . 1 1056 100 100 MET N N 119.668 . 1 1057 101 101 LEU H H 7.961 . 1 1058 101 101 LEU HA H 3.523 . 1 1059 101 101 LEU HB2 H 1.352 . 2 1060 101 101 LEU HB3 H 1.352 . 2 1061 101 101 LEU HD1 H 0.775 . 1 1062 101 101 LEU HD2 H 0.662 . 1 1063 101 101 LEU HG H 1.282 . 1 1064 101 101 LEU C C 173.873 . 1 1065 101 101 LEU CA C 58.743 . 1 1066 101 101 LEU CB C 42.632 . 1 1067 101 101 LEU CD1 C 24.645 . 2 1068 101 101 LEU CD2 C 27.201 . 2 1069 101 101 LEU CG C 28.131 . 1 1070 101 101 LEU N N 119.752 . 1 1071 102 102 THR H H 6.955 . 1 1072 102 102 THR HA H 4.134 . 1 1073 102 102 THR HB H 3.790 . 1 1074 102 102 THR HG2 H -0.213 . 1 1075 102 102 THR C C 176.513 . 1 1076 102 102 THR CA C 61.125 . 1 1077 102 102 THR CB C 71.415 . 1 1078 102 102 THR CG2 C 21.603 . 1 1079 102 102 THR N N 124.665 . 1 1080 103 103 GLY H H 7.816 . 1 1081 103 103 GLY HA2 H 3.824 . 2 1082 103 103 GLY HA3 H 3.824 . 2 1083 103 103 GLY C C 174.126 . 1 1084 103 103 GLY CA C 47.805 . 1 1085 103 103 GLY N N 114.191 . 1 1086 104 104 SER H H 8.860 . 1 1087 104 104 SER HA H 4.758 . 1 1088 104 104 SER HB2 H 3.755 . 2 1089 104 104 SER HB3 H 3.586 . 2 1090 104 104 SER C C 174.591 . 1 1091 104 104 SER CA C 56.755 . 1 1092 104 104 SER CB C 65.050 . 1 1093 104 104 SER N N 114.771 . 1 1094 105 105 GLY H H 8.788 . 1 1095 105 105 GLY HA2 H 3.733 . 2 1096 105 105 GLY HA3 H 3.733 . 2 1097 105 105 GLY CA C 47.247 . 1 1098 105 105 GLY N N 110.394 . 1 1099 106 106 ASN HA H 4.454 . 1 1100 106 106 ASN HB2 H 2.473 . 2 1101 106 106 ASN HB3 H 2.237 . 2 1102 106 106 ASN C C 175.180 . 1 1103 106 106 ASN CA C 54.492 . 1 1104 106 106 ASN CB C 37.282 . 1 1105 107 107 TYR H H 8.241 . 1 1106 107 107 TYR HA H 4.335 . 1 1107 107 107 TYR HB2 H 2.741 . 2 1108 107 107 TYR HB3 H 2.741 . 2 1109 107 107 TYR HD1 H 7.062 . 3 1110 107 107 TYR HD2 H 7.062 . 3 1111 107 107 TYR HE1 H 7.033 . 3 1112 107 107 TYR HE2 H 7.033 . 3 1113 107 107 TYR C C 173.954 . 1 1114 107 107 TYR CA C 57.727 . 1 1115 107 107 TYR CB C 37.063 . 1 1116 107 107 TYR CD1 C 133.405 . 3 1117 107 107 TYR CD2 C 133.405 . 3 1118 107 107 TYR CE1 C 118.675 . 3 1119 107 107 TYR CE2 C 118.675 . 3 1120 107 107 TYR N N 120.708 . 1 1121 108 108 SER H H 7.117 . 1 1122 108 108 SER HA H 4.221 . 1 1123 108 108 SER HB2 H 3.987 . 2 1124 108 108 SER HB3 H 3.785 . 2 1125 108 108 SER C C 174.834 . 1 1126 108 108 SER CA C 59.859 . 1 1127 108 108 SER CB C 63.846 . 1 1128 108 108 SER N N 113.362 . 1 1129 109 109 SER H H 8.053 . 1 1130 109 109 SER HA H 4.560 . 1 1131 109 109 SER HB2 H 4.152 . 2 1132 109 109 SER HB3 H 3.877 . 2 1133 109 109 SER CA C 57.141 . 1 1134 109 109 SER CB C 64.874 . 1 1135 109 109 SER N N 116.657 . 1 1136 110 110 THR HA H 3.541 . 1 1137 110 110 THR HB H 3.931 . 1 1138 110 110 THR HG2 H 0.689 . 1 1139 110 110 THR C C 175.477 . 1 1140 110 110 THR CA C 66.443 . 1 1141 110 110 THR CB C 68.091 . 1 1142 110 110 THR CG2 C 21.824 . 1 1143 111 111 ASP H H 8.224 . 1 1144 111 111 ASP HA H 4.237 . 1 1145 111 111 ASP HB2 H 2.519 . 2 1146 111 111 ASP HB3 H 2.519 . 2 1147 111 111 ASP C C 177.520 . 1 1148 111 111 ASP CA C 57.559 . 1 1149 111 111 ASP CB C 40.292 . 1 1150 111 111 ASP N N 119.490 . 1 1151 112 112 ALA H H 7.431 . 1 1152 112 112 ALA HA H 4.191 . 1 1153 112 112 ALA HB H 1.509 . 1 1154 112 112 ALA C C 180.646 . 1 1155 112 112 ALA CA C 54.534 . 1 1156 112 112 ALA CB C 18.992 . 1 1157 112 112 ALA N N 119.710 . 1 1158 113 113 GLN H H 7.576 . 1 1159 113 113 GLN HA H 3.562 . 1 1160 113 113 GLN HB2 H 2.781 . 2 1161 113 113 GLN HB3 H 2.899 . 2 1162 113 113 GLN HE21 H 8.083 . 2 1163 113 113 GLN HE22 H 6.759 . 2 1164 113 113 GLN C C 176.756 . 1 1165 113 113 GLN CA C 57.736 . 1 1166 113 113 GLN CB C 29.110 . 1 1167 113 113 GLN N N 117.518 . 1 1168 113 113 GLN NE2 N 111.254 . 1 1169 114 114 MET H H 8.192 . 1 1170 114 114 MET HA H 4.231 . 1 1171 114 114 MET HB2 H 2.316 . 2 1172 114 114 MET HB3 H 1.877 . 2 1173 114 114 MET HG2 H 2.894 . 2 1174 114 114 MET HG3 H 2.169 . 2 1175 114 114 MET C C 175.648 . 1 1176 114 114 MET CA C 57.446 . 1 1177 114 114 MET CB C 33.570 . 1 1178 114 114 MET CG C 31.068 . 1 1179 114 114 MET N N 111.509 . 1 1180 115 115 GLN H H 6.940 . 1 1181 115 115 GLN HA H 4.307 . 1 1182 115 115 GLN HB2 H 2.530 . 2 1183 115 115 GLN HB3 H 1.860 . 2 1184 115 115 GLN HE21 H 7.583 . 2 1185 115 115 GLN HE22 H 6.952 . 2 1186 115 115 GLN HG2 H 2.569 . 2 1187 115 115 GLN HG3 H 2.436 . 2 1188 115 115 GLN C C 176.270 . 1 1189 115 115 GLN CA C 54.680 . 1 1190 115 115 GLN CB C 28.233 . 1 1191 115 115 GLN CG C 32.423 . 1 1192 115 115 GLN N N 114.300 . 1 1193 115 115 GLN NE2 N 111.432 . 1 1194 116 116 TYR H H 6.677 . 1 1195 116 116 TYR HA H 4.193 . 1 1196 116 116 TYR HB2 H 1.767 . 2 1197 116 116 TYR HB3 H 1.557 . 2 1198 116 116 TYR C C 175.268 . 1 1199 116 116 TYR CA C 54.357 . 1 1200 116 116 TYR CB C 35.498 . 1 1201 116 116 TYR N N 117.919 . 1 1202 117 117 ASP H H 8.081 . 1 1203 117 117 ASP HA H 4.665 . 1 1204 117 117 ASP HB2 H 2.500 . 2 1205 117 117 ASP HB3 H 2.388 . 2 1206 117 117 ASP CA C 52.422 . 1 1207 117 117 ASP CB C 42.416 . 1 1208 117 117 ASP N N 120.887 . 1 1209 118 118 PRO C C 179.180 . 1 1210 118 118 PRO CA C 65.942 . 1 1211 118 118 PRO CB C 32.197 . 1 1212 119 119 GLY H H 9.742 . 1 1213 119 119 GLY C C 175.622 . 1 1214 119 119 GLY CA C 46.785 . 1 1215 119 119 GLY N N 106.412 . 1 1216 120 120 LEU H H 6.666 . 1 1217 120 120 LEU HA H 3.365 . 1 1218 120 120 LEU HB2 H 0.843 . 2 1219 120 120 LEU HB3 H -1.170 . 2 1220 120 120 LEU HD1 H 0.203 . 1 1221 120 120 LEU HD2 H -0.813 . 1 1222 120 120 LEU HG H 0.336 . 1 1223 120 120 LEU C C 179.262 . 1 1224 120 120 LEU CA C 56.605 . 1 1225 120 120 LEU CB C 39.262 . 1 1226 120 120 LEU CD1 C 22.477 . 2 1227 120 120 LEU CD2 C 25.299 . 2 1228 120 120 LEU CG C 26.285 . 1 1229 120 120 LEU N N 126.226 . 1 1230 121 121 PHE H H 7.356 . 1 1231 121 121 PHE HA H 4.459 . 1 1232 121 121 PHE HB2 H 3.429 . 2 1233 121 121 PHE HB3 H 2.728 . 2 1234 121 121 PHE C C 179.716 . 1 1235 121 121 PHE CA C 62.838 . 1 1236 121 121 PHE CB C 37.603 . 1 1237 121 121 PHE N N 117.437 . 1 1238 122 122 ALA H H 7.926 . 1 1239 122 122 ALA HA H 4.523 . 1 1240 122 122 ALA HB H 1.651 . 1 1241 122 122 ALA C C 180.435 . 1 1242 122 122 ALA CA C 55.527 . 1 1243 122 122 ALA CB C 17.814 . 1 1244 122 122 ALA N N 121.068 . 1 1245 123 123 GLN H H 7.507 . 1 1246 123 123 GLN HA H 4.153 . 1 1247 123 123 GLN HB2 H 2.332 . 2 1248 123 123 GLN HB3 H 2.332 . 2 1249 123 123 GLN HG2 H 3.042 . 2 1250 123 123 GLN HG3 H 3.042 . 2 1251 123 123 GLN C C 180.561 . 1 1252 123 123 GLN CA C 59.948 . 1 1253 123 123 GLN CB C 29.135 . 1 1254 123 123 GLN CG C 34.199 . 1 1255 123 123 GLN N N 120.324 . 1 1256 124 124 ILE H H 8.318 . 1 1257 124 124 ILE HA H 3.635 . 1 1258 124 124 ILE HB H 2.225 . 1 1259 124 124 ILE HD1 H 1.073 . 1 1260 124 124 ILE HG12 H 1.854 . 2 1261 124 124 ILE HG13 H 1.770 . 2 1262 124 124 ILE HG2 H 1.306 . 1 1263 124 124 ILE C C 176.481 . 1 1264 124 124 ILE CA C 66.432 . 1 1265 124 124 ILE CB C 39.168 . 1 1266 124 124 ILE CD1 C 15.646 . 1 1267 124 124 ILE CG1 C 30.135 . 1 1268 124 124 ILE CG2 C 17.301 . 1 1269 124 124 ILE N N 123.747 . 1 1270 125 125 GLN H H 8.474 . 1 1271 125 125 GLN HA H 4.264 . 1 1272 125 125 GLN HB2 H 2.841 . 2 1273 125 125 GLN HB3 H 2.608 . 2 1274 125 125 GLN HE21 H 7.537 . 2 1275 125 125 GLN HE22 H 7.000 . 2 1276 125 125 GLN HG2 H 2.915 . 2 1277 125 125 GLN HG3 H 2.360 . 2 1278 125 125 GLN C C 178.947 . 1 1279 125 125 GLN CA C 59.651 . 1 1280 125 125 GLN CB C 28.880 . 1 1281 125 125 GLN CG C 32.683 . 1 1282 125 125 GLN N N 120.368 . 1 1283 125 125 GLN NE2 N 110.201 . 1 1284 126 126 ALA H H 8.002 . 1 1285 126 126 ALA HA H 4.144 . 1 1286 126 126 ALA HB H 1.513 . 1 1287 126 126 ALA C C 179.316 . 1 1288 126 126 ALA CA C 55.036 . 1 1289 126 126 ALA CB C 18.087 . 1 1290 126 126 ALA N N 121.661 . 1 1291 127 127 ALA H H 7.823 . 1 1292 127 127 ALA HA H 4.162 . 1 1293 127 127 ALA HB H 1.449 . 1 1294 127 127 ALA C C 180.707 . 1 1295 127 127 ALA CA C 55.080 . 1 1296 127 127 ALA CB C 19.354 . 1 1297 127 127 ALA N N 119.853 . 1 1298 128 128 ALA H H 8.936 . 1 1299 128 128 ALA HA H 3.928 . 1 1300 128 128 ALA HB H -0.052 . 1 1301 128 128 ALA C C 181.031 . 1 1302 128 128 ALA CA C 55.502 . 1 1303 128 128 ALA CB C 16.609 . 1 1304 128 128 ALA N N 121.355 . 1 1305 129 129 THR H H 8.543 . 1 1306 129 129 THR HA H 4.015 . 1 1307 129 129 THR HB H 4.245 . 1 1308 129 129 THR HG2 H 1.348 . 1 1309 129 129 THR C C 177.332 . 1 1310 129 129 THR CA C 65.893 . 1 1311 129 129 THR CB C 68.566 . 1 1312 129 129 THR CG2 C 22.326 . 1 1313 129 129 THR N N 112.709 . 1 1314 130 130 LYS H H 8.126 . 1 1315 130 130 LYS HA H 4.000 . 1 1316 130 130 LYS HB2 H 1.948 . 2 1317 130 130 LYS HB3 H 1.774 . 2 1318 130 130 LYS HD2 H 1.468 . 2 1319 130 130 LYS HD3 H 1.468 . 2 1320 130 130 LYS HE2 H 2.915 . 2 1321 130 130 LYS HE3 H 2.915 . 2 1322 130 130 LYS HG2 H 1.577 . 2 1323 130 130 LYS HG3 H 1.317 . 2 1324 130 130 LYS C C 179.082 . 1 1325 130 130 LYS CA C 60.299 . 1 1326 130 130 LYS CB C 32.767 . 1 1327 130 130 LYS CD C 29.700 . 1 1328 130 130 LYS CE C 12.027 . 1 1329 130 130 LYS CG C 25.431 . 1 1330 130 130 LYS N N 123.879 . 1 1331 131 131 ALA H H 7.184 . 1 1332 131 131 ALA HA H 4.005 . 1 1333 131 131 ALA HB H 1.182 . 1 1334 131 131 ALA C C 178.482 . 1 1335 131 131 ALA CA C 55.027 . 1 1336 131 131 ALA CB C 18.669 . 1 1337 131 131 ALA N N 118.590 . 1 1338 132 132 TRP H H 7.977 . 1 1339 132 132 TRP HA H 4.001 . 1 1340 132 132 TRP HB2 H 3.581 . 2 1341 132 132 TRP HB3 H 3.410 . 2 1342 132 132 TRP HD1 H 6.614 . 1 1343 132 132 TRP HE1 H 9.569 . 1 1344 132 132 TRP HE3 H 7.198 . 1 1345 132 132 TRP HZ2 H 6.255 . 1 1346 132 132 TRP C C 177.332 . 1 1347 132 132 TRP CA C 60.431 . 1 1348 132 132 TRP CB C 27.786 . 1 1349 132 132 TRP CD1 C 124.629 . 1 1350 132 132 TRP CE3 C 119.208 . 1 1351 132 132 TRP CZ2 C 112.872 . 1 1352 132 132 TRP N N 119.168 . 1 1353 132 132 TRP NE1 N 125.558 . 1 1354 133 133 ARG H H 8.006 . 1 1355 133 133 ARG HA H 4.027 . 1 1356 133 133 ARG HB2 H 2.069 . 2 1357 133 133 ARG HB3 H 1.725 . 2 1358 133 133 ARG HD2 H 3.290 . 2 1359 133 133 ARG HD3 H 3.176 . 2 1360 133 133 ARG HE H 8.068 . 1 1361 133 133 ARG HG2 H 1.924 . 2 1362 133 133 ARG HG3 H 1.924 . 2 1363 133 133 ARG C C 176.664 . 1 1364 133 133 ARG CA C 59.355 . 1 1365 133 133 ARG CB C 30.451 . 1 1366 133 133 ARG CD C 43.412 . 1 1367 133 133 ARG CG C 30.401 . 1 1368 133 133 ARG N N 113.062 . 1 1369 133 133 ARG NE N 131.480 . 1 1370 134 134 LYS H H 7.322 . 1 1371 134 134 LYS HA H 4.313 . 1 1372 134 134 LYS HB2 H 1.956 . 2 1373 134 134 LYS HB3 H 1.792 . 2 1374 134 134 LYS HD2 H 1.658 . 2 1375 134 134 LYS HD3 H 1.658 . 2 1376 134 134 LYS HE2 H 2.957 . 2 1377 134 134 LYS HE3 H 2.957 . 2 1378 134 134 LYS HG2 H 1.560 . 2 1379 134 134 LYS HG3 H 1.560 . 2 1380 134 134 LYS C C 176.282 . 1 1381 134 134 LYS CA C 54.922 . 1 1382 134 134 LYS CB C 32.633 . 1 1383 134 134 LYS CD C 59.274 . 1 1384 134 134 LYS CE C 42.008 . 1 1385 134 134 LYS CG C 24.826 . 1 1386 134 134 LYS N N 118.170 . 1 1387 135 135 LEU H H 7.440 . 1 1388 135 135 LEU HA H 4.174 . 1 1389 135 135 LEU HB2 H 1.608 . 2 1390 135 135 LEU HB3 H 1.166 . 2 1391 135 135 LEU HD1 H 0.815 . 1 1392 135 135 LEU HD2 H 0.086 . 1 1393 135 135 LEU HG H 1.791 . 1 1394 135 135 LEU CA C 54.408 . 1 1395 135 135 LEU CB C 40.407 . 1 1396 135 135 LEU CD1 C 23.858 . 2 1397 135 135 LEU CD2 C 26.227 . 2 1398 135 135 LEU CG C 27.143 . 1 1399 135 135 LEU N N 123.358 . 1 1400 136 136 PRO HA H 4.437 . 1 1401 136 136 PRO HB2 H 2.224 . 2 1402 136 136 PRO HB3 H 1.843 . 2 1403 136 136 PRO HD2 H 3.736 . 2 1404 136 136 PRO HD3 H 3.455 . 2 1405 136 136 PRO HG2 H 1.984 . 2 1406 136 136 PRO HG3 H 1.984 . 2 1407 136 136 PRO C C 177.106 . 1 1408 136 136 PRO CA C 62.889 . 1 1409 136 136 PRO CB C 32.192 . 1 1410 136 136 PRO CD C 50.400 . 1 1411 136 136 PRO CG C 27.527 . 1 1412 137 137 VAL H H 8.219 . 1 1413 137 137 VAL HA H 4.077 . 1 1414 137 137 VAL HB H 2.051 . 1 1415 137 137 VAL HG1 H 0.965 . 1 1416 137 137 VAL HG2 H 0.965 . 1 1417 137 137 VAL C C 176.305 . 1 1418 137 137 VAL CA C 61.958 . 1 1419 137 137 VAL CB C 32.755 . 1 1420 137 137 VAL CG1 C 21.025 . 2 1421 137 137 VAL CG2 C 21.025 . 2 1422 137 137 VAL N N 120.079 . 1 1423 138 138 LYS H H 8.444 . 1 1424 138 138 LYS HA H 4.316 . 1 1425 138 138 LYS HB2 H 1.832 . 2 1426 138 138 LYS HB3 H 1.832 . 2 1427 138 138 LYS HD2 H 1.477 . 2 1428 138 138 LYS HD3 H 1.477 . 2 1429 138 138 LYS HE2 H 3.005 . 2 1430 138 138 LYS HE3 H 3.005 . 2 1431 138 138 LYS HG2 H 1.659 . 2 1432 138 138 LYS HG3 H 1.659 . 2 1433 138 138 LYS C C 176.790 . 1 1434 138 138 LYS CA C 56.792 . 1 1435 138 138 LYS CB C 33.205 . 1 1436 138 138 LYS CD C 24.677 . 1 1437 138 138 LYS CE C 42.193 . 1 1438 138 138 LYS CG C 29.184 . 1 1439 138 138 LYS N N 126.449 . 1 1440 139 139 GLY H H 8.518 . 1 1441 139 139 GLY HA2 H 4.070 . 2 1442 139 139 GLY HA3 H 3.897 . 2 1443 139 139 GLY C C 172.874 . 1 1444 139 139 GLY CA C 45.157 . 1 1445 139 139 GLY N N 112.617 . 1 1446 140 140 ASP H H 7.989 . 1 1447 140 140 ASP HA H 4.406 . 1 1448 140 140 ASP HB2 H 2.654 . 2 1449 140 140 ASP HB3 H 2.571 . 2 1450 140 140 ASP CA C 55.729 . 1 1451 140 140 ASP CB C 42.222 . 1 1452 140 140 ASP N N 126.348 . 1 stop_ save_