data_6882 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the extracellular sushi domain of the Interleukin-15 receptor ; _BMRB_accession_number 6882 _BMRB_flat_file_name bmr6882.str _Entry_type original _Submission_date 2005-11-01 _Accession_date 2005-11-01 _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 Lorenzen Inken . . 2 Dingley Andrew J. . 3 Groetzinger Joachim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 287 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-24 original author . stop_ _Original_release_date 2006-04-24 save_ ############################# # Citation for this entry # ############################# save_Interleukin-15_receptor _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of the IL-15alpha-receptor and its implications for ligand binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16377614 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lorenzen Inken . . 2 Dingley Andrew J. . 3 Jaques Yannick . . 4 Groetzinger Joachim . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6642 _Page_last 6647 _Year 2006 _Details . loop_ _Keyword 'interleukin-15 receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'sushi domain of the interleukin-15 receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'interleukin-15 receptor' $IL-15Ra stop_ _System_molecular_weight 9074 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IL-15Ra _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'interleukin-15 receptor' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; ITCPPPMSVEHADIWVKSYS LYSRERYICNSGFKRKAGTS SLTECVLNKATNVAHWTTPS LKCIRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 31 ILE 2 32 THR 3 33 CYS 4 34 PRO 5 35 PRO 6 36 PRO 7 37 MET 8 38 SER 9 39 VAL 10 40 GLU 11 41 HIS 12 42 ALA 13 43 ASP 14 44 ILE 15 45 TRP 16 46 VAL 17 47 LYS 18 48 SER 19 49 TYR 20 50 SER 21 51 LEU 22 52 TYR 23 53 SER 24 54 ARG 25 55 GLU 26 56 ARG 27 57 TYR 28 58 ILE 29 59 CYS 30 60 ASN 31 61 SER 32 62 GLY 33 63 PHE 34 64 LYS 35 65 ARG 36 66 LYS 37 67 ALA 38 68 GLY 39 69 THR 40 70 SER 41 71 SER 42 72 LEU 43 73 THR 44 74 GLU 45 75 CYS 46 76 VAL 47 77 LEU 48 78 ASN 49 79 LYS 50 80 ALA 51 81 THR 52 82 ASN 53 83 VAL 54 84 ALA 55 85 HIS 56 86 TRP 57 87 THR 58 88 THR 59 89 PRO 60 90 SER 61 91 LEU 62 92 LYS 63 93 CYS 64 94 ILE 65 95 ARG 66 96 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2ERS "Solution Structure Of The Interleukin-15 Receptor Sushi Domain" 100.00 66 100.00 100.00 9.66e-41 PDB 2Z3Q "Crystal Structure Of The Il-15IL-15ra Complex" 100.00 107 100.00 100.00 1.88e-41 PDB 2Z3R "Crystal Structure Of The Il-15IL-15ra Complex" 100.00 107 100.00 100.00 1.88e-41 PDB 4GS7 "Structure Of The Interleukin-15 Quaternary Complex" 100.00 69 100.00 100.00 1.13e-40 DBJ BAG65084 "unnamed protein product [Homo sapiens]" 98.48 234 98.46 100.00 9.65e-39 EMBL CAG33345 "IL15RA [Homo sapiens]" 90.91 231 100.00 100.00 2.53e-35 EMBL CAG46820 "IL15RA [Homo sapiens]" 100.00 267 100.00 100.00 2.85e-40 GB AAB88175 "similar to interleukin-15 receptor alpha chain precursor [Homo sapiens]" 90.91 231 100.00 100.00 2.53e-35 GB AAC50312 "interleukin-15 receptor alpha chain precursor [Homo sapiens]" 100.00 267 100.00 100.00 2.85e-40 GB AAH74726 "Interleukin 15 receptor, alpha, isoform 1 precursor [Homo sapiens]" 100.00 267 100.00 100.00 2.97e-40 GB AAI07778 "Interleukin 15 receptor, alpha [Homo sapiens]" 90.91 231 100.00 100.00 2.43e-35 GB AAI21141 "Interleukin 15 receptor, alpha [Homo sapiens]" 100.00 267 100.00 100.00 2.85e-40 PRF 2205305A "interleukin 15 receptor:SUBUNIT=alpha" 100.00 267 100.00 100.00 2.85e-40 REF NP_001230468 "interleukin-15 receptor subunit alpha isoform 3 [Homo sapiens]" 90.91 231 100.00 100.00 2.53e-35 REF NP_001243694 "interleukin-15 receptor subunit alpha isoform 4 [Homo sapiens]" 100.00 353 100.00 100.00 1.38e-39 REF NP_002180 "interleukin-15 receptor subunit alpha isoform 1 precursor [Homo sapiens]" 100.00 267 100.00 100.00 2.85e-40 REF NP_751950 "interleukin-15 receptor subunit alpha isoform 2 precursor [Homo sapiens]" 98.48 234 98.46 100.00 9.65e-39 REF XP_001145886 "PREDICTED: interleukin-15 receptor subunit alpha isoform X7 [Pan troglodytes]" 90.91 231 100.00 100.00 1.36e-35 SP Q13261 "RecName: Full=Interleukin-15 receptor subunit alpha; Short=IL-15 receptor subunit alpha; Short=IL-15R-alpha; Short=IL-15RA; Alt" 100.00 267 100.00 100.00 2.85e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IL-15Ra 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_type _Vector_name $IL-15Ra 'recombinant technology' E.coli . . SG13009 plasmid pQE30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1mM IL-15Ra, 20 mM phosphate buffer, pH=7.4, 150 mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IL-15Ra 1 mM '[U-15N; U-13C]' 'phosphate buffer' 20 mM . NaCl 150 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_600MHz_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HC(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label $sample_1 save_ save_(H)C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _Sample_label $sample_1 save_ save_N15-edited_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'N15-edited NOESY' _Sample_label $sample_1 save_ save_N15-edited_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'N15-edited TOCSY' _Sample_label $sample_1 save_ save_13C-edit_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit TOCSY' _Sample_label $sample_1 save_ save_13C-edit_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit NOESY' _Sample_label $sample_1 save_ save_13C-edit_NOESY_(D2O)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit NOESY (D2O)' _Sample_label $sample_1 save_ save_H(N)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name H(N)CO _Sample_label $sample_1 save_ save_3D-HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label $sample_1 save_ save_1H15N_HSQC_(example)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC (example)' _Sample_label $sample_1 save_ save_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_N15-edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 'N15-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_N15-edited_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 'N15-edited TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-edit_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-edit_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-edit_NOESY_(D2O) _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edit NOESY (D2O)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(N)CO _Saveframe_category NMR_applied_experiment _Experiment_name H(N)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH pressure 1 0.0 atm temperature 298 0.0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $Interleukin-15_receptor $Interleukin-15_receptor DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $Interleukin-15_receptor $Interleukin-15_receptor DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $Interleukin-15_receptor $Interleukin-15_receptor stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCA HC(CO)NH 'N15-edited NOESY' 'N15-edited TOCSY' '1H15N HSQC (example)' C(CO)NH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'interleukin-15 receptor' _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 31 1 ILE H H 7.995 . 1 2 31 1 ILE HA H 4.154 . 1 3 31 1 ILE HB H 1.708 . 1 4 31 1 ILE HG12 H 1.433 . 9 5 31 1 ILE HG13 H 0.991 . 9 6 31 1 ILE HG2 H 0.688 . 4 7 31 1 ILE HD1 H 0.713 . 1 8 31 1 ILE C C 174.188 . 1 9 31 1 ILE CA C 61.348 . 1 10 31 1 ILE CB C 38.190 . 1 11 31 1 ILE CG1 C 27.210 . 2 12 31 1 ILE CG2 C 18.260 . 2 13 31 1 ILE CD1 C 13.083 . 1 14 31 1 ILE N N 122.977 . 1 15 32 2 THR H H 7.921 . 1 16 32 2 THR HA H 4.840 . 1 17 32 2 THR HB H 3.992 . 1 18 32 2 THR HG1 H 4.267 . 1 19 32 2 THR HG2 H 0.976 . 1 20 32 2 THR C C 175.191 . 1 21 32 2 THR CA C 59.406 . 1 22 32 2 THR CB C 71.924 . 1 23 32 2 THR CG2 C 21.721 . 1 24 32 2 THR N N 116.978 . 1 25 33 3 CYS H H 9.136 . 1 26 33 3 CYS HA H 4.314 . 1 27 33 3 CYS HB2 H 2.187 . 2 28 33 3 CYS HB3 H 2.790 . 2 29 33 3 CYS C C 175.191 . 1 30 33 3 CYS CA C 59.311 . 1 31 33 3 CYS CB C 41.648 . 1 32 33 3 CYS N N 121.005 . 1 33 34 4 PRO HA H 4.840 . 1 34 34 4 PRO HB2 H 2.257 . 1 35 34 4 PRO HB3 H 2.257 . 1 36 34 4 PRO HG2 H 2.030 . 2 37 34 4 PRO HG3 H 2.230 . 2 38 34 4 PRO HD2 H 3.290 . 2 39 34 4 PRO HD3 H 3.760 . 2 40 34 4 PRO CA C 62.170 . 1 41 34 4 PRO CB C 30.260 . 1 42 34 4 PRO CG C 26.800 . 1 43 34 4 PRO CD C 49.600 . 1 44 35 5 PRO HA H 4.819 . 1 45 35 5 PRO HB2 H 1.750 . 2 46 35 5 PRO HB3 H 2.464 . 2 47 35 5 PRO HG2 H 1.897 . 2 48 35 5 PRO HG3 H 2.135 . 2 49 35 5 PRO HD2 H 3.528 . 2 50 35 5 PRO HD3 H 3.680 . 2 51 35 5 PRO CA C 62.700 . 1 52 35 5 PRO CB C 30.260 . 1 53 35 5 PRO CG C 28.550 . 1 54 35 5 PRO CD C 50.200 . 1 55 36 6 PRO HA H 4.296 . 1 56 36 6 PRO HB2 H 0.833 . 2 57 36 6 PRO HB3 H 1.609 . 2 58 36 6 PRO HG2 H 0.654 . 2 59 36 6 PRO HG3 H 1.187 . 2 60 36 6 PRO HD2 H 3.498 . 2 61 36 6 PRO HD3 H 3.739 . 2 62 36 6 PRO C C 172.886 . 1 63 36 6 PRO CA C 62.491 . 1 64 36 6 PRO CB C 31.056 . 1 65 36 6 PRO CG C 25.731 . 1 66 36 6 PRO CD C 50.595 . 1 67 37 7 MET H H 8.517 . 1 68 37 7 MET HA H 4.342 . 1 69 37 7 MET HB2 H 2.116 . 2 70 37 7 MET HB3 H 2.089 . 2 71 37 7 MET HG2 H 2.454 . 2 72 37 7 MET HG3 H 2.626 . 2 73 37 7 MET C C 173.259 . 1 74 37 7 MET CA C 55.740 . 1 75 37 7 MET CB C 33.016 . 1 76 37 7 MET CG C 31.254 . 1 77 37 7 MET N N 119.235 . 1 78 38 8 SER H H 8.540 . 1 79 38 8 SER HA H 4.482 . 1 80 38 8 SER HB2 H 3.778 . 2 81 38 8 SER HB3 H 3.768 . 2 82 38 8 SER C C 175.666 . 1 83 38 8 SER CA C 58.733 . 1 84 38 8 SER CB C 63.683 . 1 85 38 8 SER N N 118.503 . 1 86 39 9 VAL H H 9.067 . 1 87 39 9 VAL HA H 3.765 . 1 88 39 9 VAL HB H 1.075 . 1 89 39 9 VAL HG1 H 0.449 . 4 90 39 9 VAL HG2 H 0.084 . 4 91 39 9 VAL C C 174.084 . 1 92 39 9 VAL CA C 61.079 . 1 93 39 9 VAL CB C 33.995 . 1 94 39 9 VAL CG1 C 20.275 . 2 95 39 9 VAL CG2 C 20.993 . 1 96 39 9 VAL N N 127.467 . 1 97 40 10 GLU H H 8.292 . 1 98 40 10 GLU HA H 3.557 . 1 99 40 10 GLU HB2 H 1.476 . 2 100 40 10 GLU HB3 H 1.627 . 2 101 40 10 GLU HG2 H 1.446 . 2 102 40 10 GLU HG3 H 1.788 . 2 103 40 10 GLU C C 173.252 . 1 104 40 10 GLU CA C 58.118 . 1 105 40 10 GLU CB C 29.457 . 1 106 40 10 GLU CG C 35.669 . 1 107 40 10 GLU N N 128.640 . 1 108 41 11 HIS H H 8.505 . 1 109 41 11 HIS HA H 3.729 . 1 110 41 11 HIS HB2 H 2.708 . 2 111 41 11 HIS HB3 H 1.621 . 2 112 41 11 HIS HD2 H 6.714 . 2 113 41 11 HIS C C 177.412 . 1 114 41 11 HIS CA C 56.222 . 1 115 41 11 HIS CB C 26.270 . 1 116 41 11 HIS CD2 C 121.174 . 1 117 41 11 HIS N N 116.476 . 1 118 42 12 ALA H H 7.749 . 1 119 42 12 ALA HA H 5.004 . 1 120 42 12 ALA HB H 1.136 . 1 121 42 12 ALA C C 173.250 . 1 122 42 12 ALA CA C 50.929 . 1 123 42 12 ALA CB C 23.419 . 1 124 42 12 ALA N N 118.440 . 1 125 43 13 ASP H H 8.507 . 1 126 43 13 ASP HA H 4.865 . 1 127 43 13 ASP HB2 H 2.184 . 2 128 43 13 ASP HB3 H 2.306 . 2 129 43 13 ASP C C 176.398 . 1 130 43 13 ASP CA C 52.429 . 1 131 43 13 ASP CB C 45.606 . 1 132 43 13 ASP N N 119.987 . 1 133 44 14 ILE H H 8.212 . 1 134 44 14 ILE HA H 4.148 . 1 135 44 14 ILE HB H 0.865 . 1 136 44 14 ILE HG12 H 0.909 . 9 137 44 14 ILE HG13 H 0.059 . 9 138 44 14 ILE HG2 H 0.231 . 4 139 44 14 ILE HD1 H 0.723 . 1 140 44 14 ILE C C 177.689 . 1 141 44 14 ILE CA C 60.092 . 1 142 44 14 ILE CB C 40.157 . 1 143 44 14 ILE CG1 C 27.319 . 2 144 44 14 ILE CG2 C 13.962 . 2 145 44 14 ILE CD1 C 12.695 . 1 146 44 14 ILE N N 117.114 . 1 147 45 15 TRP H H 8.916 . 1 148 45 15 TRP HA H 4.589 . 1 149 45 15 TRP HB2 H 2.989 . 1 150 45 15 TRP HB3 H 2.989 . 1 151 45 15 TRP HD1 H 7.081 . 1 152 45 15 TRP HE1 H 10.000 . 2 153 45 15 TRP HE3 H 7.624 . 3 154 45 15 TRP HZ2 H 7.392 . 3 155 45 15 TRP HZ3 H 6.978 . 3 156 45 15 TRP HH2 H 7.179 . 1 157 45 15 TRP C C 174.542 . 1 158 45 15 TRP CA C 56.132 . 1 159 45 15 TRP CB C 28.723 . 1 160 45 15 TRP CD1 C 126.632 . 2 161 45 15 TRP CZ2 C 114.509 . 3 162 45 15 TRP CZ3 C 121.019 . 3 163 45 15 TRP CH2 C 124.940 . 1 164 45 15 TRP N N 131.492 . 1 165 45 15 TRP NE1 N 129.035 . 1 166 46 16 VAL H H 7.994 . 1 167 46 16 VAL HA H 3.381 . 1 168 46 16 VAL HB H 1.457 . 1 169 46 16 VAL HG1 H 0.184 . 4 170 46 16 VAL HG2 H 0.157 . 4 171 46 16 VAL C C 172.458 . 1 172 46 16 VAL CA C 62.877 . 1 173 46 16 VAL CB C 32.099 . 1 174 46 16 VAL CG1 C 21.509 . 2 175 46 16 VAL CG2 C 21.705 . 2 176 46 16 VAL N N 123.587 . 1 177 47 17 LYS H H 9.392 . 1 178 47 17 LYS HA H 4.235 . 1 179 47 17 LYS HB2 H 2.077 . 2 180 47 17 LYS HB3 H 1.860 . 2 181 47 17 LYS HG2 H 1.618 . 2 182 47 17 LYS HG3 H 1.477 . 2 183 47 17 LYS HD2 H 1.717 . 1 184 47 17 LYS HD3 H 1.717 . 1 185 47 17 LYS HE2 H 3.010 . 1 186 47 17 LYS HE3 H 3.010 . 1 187 47 17 LYS C C 171.872 . 1 188 47 17 LYS CA C 55.580 . 1 189 47 17 LYS CB C 32.253 . 1 190 47 17 LYS CG C 24.656 . 1 191 47 17 LYS CD C 28.477 . 1 192 47 17 LYS CE C 41.961 . 1 193 47 17 LYS N N 129.521 . 1 194 48 18 SER H H 8.294 . 1 195 48 18 SER HA H 4.490 . 1 196 48 18 SER HB2 H 3.824 . 1 197 48 18 SER HB3 H 3.824 . 1 198 48 18 SER C C 177.414 . 1 199 48 18 SER CA C 61.000 . 1 200 48 18 SER CB C 64.029 . 1 201 48 18 SER N N 115.131 . 1 202 49 19 TYR H H 8.642 . 1 203 49 19 TYR HA H 4.605 . 1 204 49 19 TYR HB2 H 3.786 . 2 205 49 19 TYR HB3 H 2.622 . 2 206 49 19 TYR HD1 H 7.204 . 1 207 49 19 TYR HD2 H 7.204 . 1 208 49 19 TYR HE1 H 6.748 . 1 209 49 19 TYR HE2 H 6.748 . 1 210 49 19 TYR C C 175.014 . 1 211 49 19 TYR CA C 56.710 . 1 212 49 19 TYR CB C 37.914 . 1 213 49 19 TYR CD1 C 133.982 . 1 214 49 19 TYR CD2 C 133.982 . 1 215 49 19 TYR CE1 C 117.826 . 1 216 49 19 TYR CE2 C 117.826 . 1 217 49 19 TYR N N 122.700 . 1 218 50 20 SER H H 7.939 . 1 219 50 20 SER HA H 4.263 . 1 220 50 20 SER HB2 H 3.910 . 2 221 50 20 SER HB3 H 3.695 . 2 222 50 20 SER C C 175.476 . 1 223 50 20 SER CA C 58.803 . 1 224 50 20 SER CB C 64.278 . 1 225 50 20 SER N N 113.715 . 1 226 51 21 LEU H H 7.648 . 1 227 51 21 LEU HA H 3.234 . 1 228 51 21 LEU HB2 H 0.923 . 2 229 51 21 LEU HB3 H 0.879 . 2 230 51 21 LEU HG H 0.396 . 1 231 51 21 LEU HD1 H 0.421 . 4 232 51 21 LEU HD2 H 0.421 . 2 233 51 21 LEU C C 172.797 . 1 234 51 21 LEU CA C 56.934 . 1 235 51 21 LEU CB C 41.664 . 1 236 51 21 LEU CG C 25.455 . 1 237 51 21 LEU CD1 C 24.322 . 1 238 51 21 LEU CD2 C 24.322 . 1 239 51 21 LEU N N 122.485 . 1 240 52 22 TYR H H 8.744 . 1 241 52 22 TYR HA H 4.344 . 1 242 52 22 TYR HB2 H 3.323 . 1 243 52 22 TYR HB3 H 3.323 . 1 244 52 22 TYR HD1 H 7.078 . 1 245 52 22 TYR HD2 H 7.078 . 1 246 52 22 TYR HE1 H 6.773 . 1 247 52 22 TYR HE2 H 6.773 . 1 248 52 22 TYR C C 173.066 . 1 249 52 22 TYR CA C 59.311 . 1 250 52 22 TYR CB C 35.053 . 1 251 52 22 TYR CD1 C 133.082 . 1 252 52 22 TYR CD2 C 133.082 . 1 253 52 22 TYR CE1 C 117.873 . 1 254 52 22 TYR CE2 C 117.873 . 1 255 52 22 TYR N N 118.266 . 1 256 53 23 SER H H 7.969 . 1 257 53 23 SER HA H 4.236 . 1 258 53 23 SER HB2 H 3.986 . 2 259 53 23 SER HB3 H 3.827 . 2 260 53 23 SER C C 176.027 . 1 261 53 23 SER CA C 60.083 . 1 262 53 23 SER CB C 63.969 . 1 263 53 23 SER N N 117.226 . 1 264 54 24 ARG H H 8.143 . 1 265 54 24 ARG HA H 5.197 . 1 266 54 24 ARG HB2 H 1.768 . 2 267 54 24 ARG HB3 H 1.812 . 2 268 54 24 ARG HG2 H 1.568 . 2 269 54 24 ARG HG3 H 1.833 . 2 270 54 24 ARG HD2 H 3.116 . 2 271 54 24 ARG HD3 H 2.979 . 2 272 54 24 ARG C C 174.091 . 1 273 54 24 ARG CA C 55.580 . 1 274 54 24 ARG CB C 32.482 . 1 275 54 24 ARG CG C 27.917 . 1 276 54 24 ARG CD C 44.351 . 1 277 54 24 ARG N N 125.023 . 1 278 55 25 GLU H H 9.167 . 1 279 55 25 GLU HA H 4.735 . 1 280 55 25 GLU HB2 H 1.745 . 2 281 55 25 GLU HB3 H 1.059 . 2 282 55 25 GLU HG2 H 2.335 . 2 283 55 25 GLU HG3 H 2.139 . 2 284 55 25 GLU C C 175.288 . 1 285 55 25 GLU CA C 54.184 . 1 286 55 25 GLU CB C 32.894 . 1 287 55 25 GLU CG C 36.161 . 1 288 55 25 GLU N N 124.272 . 1 289 56 26 ARG H H 8.876 . 1 290 56 26 ARG HA H 5.203 . 1 291 56 26 ARG HB2 H 1.673 . 2 292 56 26 ARG HB3 H 1.538 . 2 293 56 26 ARG HG2 H 1.425 . 2 294 56 26 ARG HG3 H 1.531 . 2 295 56 26 ARG HD2 H 3.077 . 2 296 56 26 ARG C C 173.902 . 1 297 56 26 ARG CA C 54.398 . 1 298 56 26 ARG CB C 33.782 . 1 299 56 26 ARG CG C 27.827 . 1 300 56 26 ARG CD C 43.467 . 1 301 56 26 ARG N N 118.148 . 1 302 57 27 TYR H H 8.265 . 1 303 57 27 TYR HA H 4.407 . 1 304 57 27 TYR HB2 H 2.546 . 2 305 57 27 TYR HB3 H 2.413 . 2 306 57 27 TYR HD1 H 6.820 . 1 307 57 27 TYR HD2 H 6.820 . 1 308 57 27 TYR HE1 H 6.500 . 1 309 57 27 TYR HE2 H 6.500 . 1 310 57 27 TYR C C 173.817 . 1 311 57 27 TYR CA C 58.155 . 1 312 57 27 TYR CB C 42.084 . 1 313 57 27 TYR CD1 C 132.943 . 1 314 57 27 TYR CD2 C 132.943 . 1 315 57 27 TYR CE1 C 118.294 . 1 316 57 27 TYR CE2 C 118.294 . 1 317 57 27 TYR N N 121.886 . 1 318 58 28 ILE H H 9.119 . 1 319 58 28 ILE HA H 4.354 . 1 320 58 28 ILE HB H 1.969 . 1 321 58 28 ILE HG12 H 1.192 . 9 322 58 28 ILE HG13 H 1.589 . 9 323 58 28 ILE HG2 H 1.042 . 4 324 58 28 ILE HD1 H 0.873 . 1 325 58 28 ILE C C 171.631 . 1 326 58 28 ILE CA C 59.311 . 1 327 58 28 ILE CB C 40.785 . 1 328 58 28 ILE CG1 C 26.970 . 2 329 58 28 ILE CG2 C 18.195 . 2 330 58 28 ILE CD1 C 12.568 . 1 331 58 28 ILE N N 119.762 . 1 332 59 29 CYS H H 9.210 . 1 333 59 29 CYS HA H 4.897 . 1 334 59 29 CYS HB2 H 2.951 . 2 335 59 29 CYS HB3 H 2.699 . 2 336 59 29 CYS C C 174.726 . 1 337 59 29 CYS CA C 55.570 . 1 338 59 29 CYS CB C 37.388 . 1 339 59 29 CYS N N 126.501 . 1 340 60 30 ASN H H 9.331 . 1 341 60 30 ASN HA H 4.661 . 1 342 60 30 ASN HB2 H 3.050 . 2 343 60 30 ASN HB3 H 2.414 . 2 344 60 30 ASN HD21 H 6.884 . 2 345 60 30 ASN HD22 H 7.538 . 2 346 60 30 ASN C C 175.467 . 1 347 60 30 ASN CA C 52.707 . 1 348 60 30 ASN CB C 39.545 . 1 349 60 30 ASN N N 122.136 . 1 350 60 30 ASN ND2 N 108.861 . 1 351 61 31 SER H H 8.512 . 1 352 61 31 SER HA H 4.314 . 1 353 61 31 SER HB2 H 3.912 . 1 354 61 31 SER HB3 H 3.912 . 1 355 61 31 SER C C 171.184 . 1 356 61 31 SER CA C 61.064 . 1 357 61 31 SER CB C 62.823 . 1 358 61 31 SER N N 113.491 . 1 359 62 32 GLY H H 8.937 . 1 360 62 32 GLY HA2 H 3.568 . 2 361 62 32 GLY HA3 H 4.159 . 2 362 62 32 GLY C C 174.948 . 1 363 62 32 GLY CA C 44.793 . 1 364 62 32 GLY N N 114.735 . 1 365 63 33 PHE H H 8.544 . 1 366 63 33 PHE HA H 5.009 . 1 367 63 33 PHE HB2 H 2.572 . 2 368 63 33 PHE HB3 H 3.336 . 2 369 63 33 PHE HD1 H 6.640 . 1 370 63 33 PHE HD2 H 6.640 . 1 371 63 33 PHE HE1 H 6.795 . 1 372 63 33 PHE HE2 H 6.795 . 1 373 63 33 PHE C C 176.036 . 1 374 63 33 PHE CA C 56.421 . 1 375 63 33 PHE CB C 42.227 . 1 376 63 33 PHE CD1 C 130.885 . 1 377 63 33 PHE CD2 C 130.885 . 1 378 63 33 PHE N N 119.431 . 1 379 64 34 LYS H H 9.654 . 1 380 64 34 LYS HA H 4.743 . 1 381 64 34 LYS HB2 H 1.752 . 2 382 64 34 LYS HB3 H 1.610 . 2 383 64 34 LYS HG2 H 1.296 . 2 384 64 34 LYS HG3 H 1.157 . 2 385 64 34 LYS HE2 H 2.932 . 1 386 64 34 LYS HE3 H 2.932 . 1 387 64 34 LYS C C 174.906 . 1 388 64 34 LYS CA C 54.356 . 1 389 64 34 LYS CB C 36.546 . 1 390 64 34 LYS CG C 24.031 . 1 391 64 34 LYS CD C 27.084 . 1 392 64 34 LYS CE C 42.196 . 1 393 64 34 LYS N N 118.817 . 1 394 65 35 ARG H H 8.593 . 1 395 65 35 ARG HA H 4.210 . 1 396 65 35 ARG HB2 H 1.711 . 2 397 65 35 ARG HB3 H 1.604 . 2 398 65 35 ARG HG2 H 1.354 . 2 399 65 35 ARG HG3 H 1.222 . 2 400 65 35 ARG HD2 H 2.967 . 2 401 65 35 ARG HD3 H 3.372 . 2 402 65 35 ARG C C 172.981 . 1 403 65 35 ARG CA C 56.352 . 1 404 65 35 ARG CB C 31.254 . 1 405 65 35 ARG CG C 26.017 . 1 406 65 35 ARG CD C 43.428 . 1 407 65 35 ARG N N 124.225 . 1 408 66 36 LYS H H 8.929 . 1 409 66 36 LYS HA H 4.066 . 1 410 66 36 LYS HB2 H 1.844 . 2 411 66 36 LYS HB3 H 1.665 . 2 412 66 36 LYS HG2 H 1.465 . 2 413 66 36 LYS HG3 H 1.673 . 2 414 66 36 LYS HD2 H 1.474 . 2 415 66 36 LYS HD3 H 1.545 . 2 416 66 36 LYS HE2 H 3.007 . 2 417 66 36 LYS C C 173.163 . 1 418 66 36 LYS CA C 56.479 . 1 419 66 36 LYS CB C 34.156 . 1 420 66 36 LYS CG C 24.652 . 1 421 66 36 LYS CD C 30.325 . 1 422 66 36 LYS CE C 42.268 . 1 423 66 36 LYS N N 129.659 . 1 424 67 37 ALA H H 8.901 . 1 425 67 37 ALA HA H 4.166 . 1 426 67 37 ALA HB H 1.449 . 1 427 67 37 ALA CA C 54.000 . 1 428 67 37 ALA CB C 18.292 . 1 429 67 37 ALA N N 132.997 . 1 430 68 38 GLY HA2 H 3.734 . 2 431 68 38 GLY HA3 H 4.250 . 2 432 68 38 GLY C C 175.009 . 1 433 68 38 GLY CA C 45.024 . 1 434 69 39 THR H H 8.000 . 1 435 69 39 THR HA H 4.615 . 1 436 69 39 THR HB H 4.136 . 1 437 69 39 THR HG2 H 1.062 . 1 438 69 39 THR C C 176.307 . 1 439 69 39 THR CA C 60.756 . 1 440 69 39 THR CB C 70.838 . 1 441 69 39 THR CG2 C 22.389 . 1 442 69 39 THR N N 111.282 . 1 443 70 40 SER H H 8.160 . 1 444 70 40 SER HA H 5.095 . 1 445 70 40 SER HB2 H 3.897 . 2 446 70 40 SER HB3 H 3.834 . 2 447 70 40 SER CA C 55.500 . 1 448 70 40 SER CB C 64.500 . 1 449 70 40 SER N N 113.789 . 1 450 71 41 SER HA H 4.391 . 1 451 71 41 SER HB2 H 4.673 . 2 452 71 41 SER HB3 H 4.005 . 2 453 71 41 SER C C 176.200 . 1 454 71 41 SER CA C 58.110 . 1 455 71 41 SER CB C 65.113 . 1 456 72 42 LEU H H 7.543 . 1 457 72 42 LEU HA H 4.718 . 1 458 72 42 LEU HB2 H 1.686 . 2 459 72 42 LEU HB3 H 1.515 . 2 460 72 42 LEU HG H 0.871 . 1 461 72 42 LEU HD1 H 0.873 . 4 462 72 42 LEU HD2 H 0.900 . 4 463 72 42 LEU C C 173.165 . 1 464 72 42 LEU CA C 56.380 . 1 465 72 42 LEU CB C 43.666 . 1 466 72 42 LEU CG C 26.661 . 1 467 72 42 LEU CD1 C 25.224 . 2 468 72 42 LEU CD2 C 23.985 . 1 469 72 42 LEU N N 122.966 . 1 470 73 43 THR H H 9.024 . 1 471 73 43 THR HA H 4.611 . 1 472 73 43 THR HB H 3.998 . 1 473 73 43 THR HG2 H 0.675 . 1 474 73 43 THR C C 179.353 . 1 475 73 43 THR CA C 60.756 . 1 476 73 43 THR CB C 70.555 . 1 477 73 43 THR CG2 C 19.065 . 1 478 73 43 THR N N 121.680 . 1 479 74 44 GLU H H 8.703 . 1 480 74 44 GLU HA H 5.870 . 1 481 74 44 GLU HB2 H 1.904 . 2 482 74 44 GLU HB3 H 1.837 . 2 483 74 44 GLU HG2 H 2.113 . 1 484 74 44 GLU HG3 H 2.113 . 1 485 74 44 GLU C C 174.735 . 1 486 74 44 GLU CA C 53.726 . 1 487 74 44 GLU CB C 34.349 . 1 488 74 44 GLU CG C 36.701 . 1 489 74 44 GLU N N 128.319 . 1 490 75 45 CYS H H 8.144 . 1 491 75 45 CYS HA H 4.056 . 1 492 75 45 CYS HB2 H 2.281 . 2 493 75 45 CYS HB3 H 0.832 . 2 494 75 45 CYS C C 175.567 . 1 495 75 45 CYS CA C 54.694 . 1 496 75 45 CYS CB C 38.648 . 1 497 75 45 CYS N N 125.761 . 1 498 76 46 VAL H H 8.718 . 1 499 76 46 VAL HA H 4.430 . 1 500 76 46 VAL HB H 2.006 . 1 501 76 46 VAL HG1 H 0.403 . 4 502 76 46 VAL HG2 H 0.737 . 4 503 76 46 VAL C C 176.120 . 1 504 76 46 VAL CA C 59.022 . 1 505 76 46 VAL CB C 35.331 . 1 506 76 46 VAL CG1 C 18.255 . 2 507 76 46 VAL CG2 C 21.332 . 2 508 76 46 VAL N N 124.893 . 1 509 77 47 LEU H H 7.919 . 1 510 77 47 LEU HA H 4.297 . 1 511 77 47 LEU HB2 H 1.502 . 2 512 77 47 LEU HB3 H 1.228 . 2 513 77 47 LEU HG H 1.154 . 1 514 77 47 LEU HD1 H 0.677 . 4 515 77 47 LEU HD2 H 0.597 . 2 516 77 47 LEU C C 172.330 . 1 517 77 47 LEU CA C 53.548 . 1 518 77 47 LEU CB C 44.170 . 1 519 77 47 LEU CG C 26.645 . 1 520 77 47 LEU CD1 C 24.922 . 2 521 77 47 LEU CD2 C 23.388 . 2 522 77 47 LEU N N 119.450 . 1 523 78 48 ASN H H 8.377 . 1 524 78 48 ASN HA H 4.771 . 1 525 78 48 ASN HB2 H 3.322 . 2 526 78 48 ASN HB3 H 2.584 . 2 527 78 48 ASN HD21 H 7.060 . 2 528 78 48 ASN HD22 H 7.342 . 2 529 78 48 ASN C C 173.084 . 1 530 78 48 ASN CA C 53.136 . 1 531 78 48 ASN CB C 38.267 . 1 532 78 48 ASN CG C 166.399 . 1 533 78 48 ASN N N 125.088 . 1 534 78 48 ASN ND2 N 113.265 . 1 535 79 49 LYS H H 8.899 . 1 536 79 49 LYS HA H 3.945 . 1 537 79 49 LYS HB2 H 1.850 . 2 538 79 49 LYS HB3 H 1.797 . 2 539 79 49 LYS HG2 H 1.436 . 2 540 79 49 LYS HG3 H 1.547 . 2 541 79 49 LYS HD2 H 1.699 . 1 542 79 49 LYS HD3 H 1.699 . 1 543 79 49 LYS HE2 H 3.000 . 1 544 79 49 LYS HE3 H 3.000 . 1 545 79 49 LYS C C 172.140 . 1 546 79 49 LYS CA C 58.494 . 1 547 79 49 LYS CB C 32.132 . 1 548 79 49 LYS CG C 25.216 . 1 549 79 49 LYS CD C 28.873 . 1 550 79 49 LYS CE C 42.166 . 1 551 79 49 LYS N N 126.956 . 1 552 80 50 ALA H H 8.270 . 1 553 80 50 ALA HA H 4.286 . 1 554 80 50 ALA HB H 1.497 . 1 555 80 50 ALA C C 177.917 . 1 556 80 50 ALA CA C 54.510 . 1 557 80 50 ALA CB C 18.862 . 1 558 80 50 ALA N N 120.206 . 1 559 81 51 THR H H 7.271 . 1 560 81 51 THR HA H 4.775 . 1 561 81 51 THR HB H 4.308 . 1 562 81 51 THR HG2 H 1.061 . 1 563 81 51 THR C C 169.926 . 1 564 81 51 THR CA C 66.264 . 1 565 81 51 THR CB C 70.294 . 1 566 81 51 THR CG2 C 21.613 . 1 567 81 51 THR N N 105.200 . 1 568 82 52 ASN H H 8.539 . 1 569 82 52 ASN HA H 4.202 . 1 570 82 52 ASN HB2 H 2.626 . 2 571 82 52 ASN HB3 H 3.134 . 2 572 82 52 ASN HD21 H 6.595 . 2 573 82 52 ASN HD22 H 7.421 . 2 574 82 52 ASN C C 176.123 . 1 575 82 52 ASN CA C 53.808 . 1 576 82 52 ASN CB C 37.865 . 1 577 82 52 ASN CG C 171.200 . 1 578 82 52 ASN N N 119.003 . 1 579 82 52 ASN ND2 N 111.354 . 1 580 83 53 VAL H H 7.207 . 1 581 83 53 VAL HA H 4.170 . 1 582 83 53 VAL HB H 1.872 . 1 583 83 53 VAL HG1 H 0.827 . 4 584 83 53 VAL HG2 H 0.884 . 4 585 83 53 VAL C C 174.264 . 1 586 83 53 VAL CA C 61.301 . 1 587 83 53 VAL CB C 34.518 . 1 588 83 53 VAL CG1 C 20.841 . 2 589 83 53 VAL CG2 C 21.429 . 2 590 83 53 VAL N N 116.269 . 1 591 84 54 ALA H H 8.395 . 1 592 84 54 ALA HA H 5.089 . 1 593 84 54 ALA HB H 0.922 . 1 594 84 54 ALA C C 173.348 . 1 595 84 54 ALA CA C 50.929 . 1 596 84 54 ALA CB C 19.398 . 1 597 84 54 ALA N N 131.331 . 1 598 85 55 HIS H H 9.200 . 1 599 85 55 HIS HA H 4.527 . 1 600 85 55 HIS HB2 H 3.165 . 2 601 85 55 HIS HB3 H 3.027 . 2 602 85 55 HIS HD2 H 6.779 . 3 603 85 55 HIS C C 176.948 . 1 604 85 55 HIS CA C 54.109 . 1 605 85 55 HIS CB C 32.835 . 1 606 85 55 HIS CD2 C 119.746 . 1 607 85 55 HIS N N 121.108 . 1 608 86 56 TRP H H 8.470 . 1 609 86 56 TRP HA H 5.288 . 1 610 86 56 TRP HB2 H 3.804 . 2 611 86 56 TRP HB3 H 2.902 . 2 612 86 56 TRP HD1 H 7.056 . 1 613 86 56 TRP HE1 H 10.637 . 2 614 86 56 TRP HE3 H 6.250 . 3 615 86 56 TRP HZ2 H 7.040 . 3 616 86 56 TRP HZ3 H 6.767 . 3 617 86 56 TRP HH2 H 7.275 . 1 618 86 56 TRP C C 181.253 . 1 619 86 56 TRP CA C 55.843 . 1 620 86 56 TRP CB C 29.756 . 1 621 86 56 TRP CZ2 C 112.436 . 3 622 86 56 TRP CZ3 C 121.635 . 3 623 86 56 TRP CH2 C 125.040 . 1 624 86 56 TRP N N 121.169 . 1 625 86 56 TRP NE1 N 129.699 . 1 626 87 57 THR H H 9.483 . 1 627 87 57 THR HA H 4.775 . 1 628 87 57 THR HB H 4.476 . 1 629 87 57 THR HG2 H 1.464 . 1 630 87 57 THR C C 169.425 . 1 631 87 57 THR CA C 65.307 . 1 632 87 57 THR CB C 69.427 . 1 633 87 57 THR CG2 C 23.734 . 1 634 87 57 THR N N 116.999 . 1 635 88 58 THR H H 8.799 . 1 636 88 58 THR HA H 4.775 . 1 637 88 58 THR HB H 4.052 . 1 638 88 58 THR HG2 H 1.233 . 1 639 88 58 THR CB C 69.692 . 1 640 88 58 THR CG2 C 21.256 . 1 641 88 58 THR N N 121.786 . 1 642 89 59 PRO HA H 4.877 . 1 643 89 59 PRO HB2 H 2.090 . 2 644 89 59 PRO HB3 H 1.856 . 2 645 89 59 PRO HG2 H 1.758 . 1 646 89 59 PRO HG3 H 1.758 . 1 647 89 59 PRO HD2 H 4.152 . 2 648 89 59 PRO HD3 H 3.849 . 2 649 89 59 PRO C C 172.603 . 1 650 89 59 PRO CA C 62.170 . 1 651 89 59 PRO CB C 31.852 . 1 652 89 59 PRO CG C 26.446 . 1 653 89 59 PRO CD C 50.693 . 1 654 90 60 SER H H 8.582 . 1 655 90 60 SER HA H 4.417 . 1 656 90 60 SER HB2 H 3.976 . 2 657 90 60 SER HB3 H 4.230 . 2 658 90 60 SER C C 174.822 . 1 659 90 60 SER CA C 57.288 . 1 660 90 60 SER CB C 64.271 . 1 661 90 60 SER N N 115.261 . 1 662 91 61 LEU H H 6.969 . 1 663 91 61 LEU HA H 3.604 . 1 664 91 61 LEU HB2 H 1.245 . 2 665 91 61 LEU HB3 H 1.483 . 2 666 91 61 LEU HG H 0.475 . 1 667 91 61 LEU HD1 H 1.144 . 4 668 91 61 LEU HD2 H 0.638 . 4 669 91 61 LEU C C 175.292 . 1 670 91 61 LEU CA C 55.909 . 1 671 91 61 LEU CB C 43.742 . 1 672 91 61 LEU CG C 27.695 . 1 673 91 61 LEU CD1 C 26.109 . 2 674 91 61 LEU CD2 C 23.223 . 2 675 91 61 LEU N N 120.852 . 1 676 92 62 LYS H H 7.248 . 1 677 92 62 LYS HA H 4.496 . 1 678 92 62 LYS HB2 H 1.675 . 2 679 92 62 LYS HB3 H 1.468 . 2 680 92 62 LYS HG2 H 1.465 . 1 681 92 62 LYS HG3 H 1.465 . 1 682 92 62 LYS C C 175.008 . 1 683 92 62 LYS CA C 54.398 . 1 684 92 62 LYS CB C 35.366 . 1 685 92 62 LYS CG C 24.627 . 1 686 92 62 LYS CD C 29.346 . 1 687 92 62 LYS CE C 42.583 . 1 688 92 62 LYS N N 123.868 . 1 689 93 63 CYS H H 9.116 . 1 690 93 63 CYS HA H 5.232 . 1 691 93 63 CYS HB2 H 2.743 . 1 692 93 63 CYS HB3 H 2.743 . 1 693 93 63 CYS C C 175.438 . 1 694 93 63 CYS CA C 54.150 . 1 695 93 63 CYS CB C 40.571 . 1 696 93 63 CYS N N 125.515 . 1 697 94 64 ILE H H 9.476 . 1 698 94 64 ILE HA H 4.866 . 1 699 94 64 ILE HB H 2.079 . 1 700 94 64 ILE HG12 H 1.345 . 9 701 94 64 ILE HG13 H 1.051 . 9 702 94 64 ILE HG2 H 0.943 . 4 703 94 64 ILE HD1 H 0.870 . 1 704 94 64 ILE C C 173.993 . 1 705 94 64 ILE CA C 59.452 . 1 706 94 64 ILE CB C 41.286 . 1 707 94 64 ILE CG1 C 25.726 . 2 708 94 64 ILE CG2 C 18.505 . 2 709 94 64 ILE CD1 C 13.569 . 1 710 94 64 ILE N N 119.528 . 1 711 95 65 ARG H H 8.663 . 1 712 95 65 ARG HA H 3.694 . 1 713 95 65 ARG HB2 H 1.546 . 2 714 95 65 ARG HB3 H 1.469 . 2 715 95 65 ARG HG2 H 1.302 . 2 716 95 65 ARG HG3 H 1.247 . 2 717 95 65 ARG HD2 H 2.730 . 1 718 95 65 ARG HD3 H 2.730 . 1 719 95 65 ARG C C 173.984 . 1 720 95 65 ARG CA C 56.901 . 1 721 95 65 ARG CB C 29.984 . 1 722 95 65 ARG CG C 26.922 . 1 723 95 65 ARG CD C 42.886 . 1 724 95 65 ARG N N 123.814 . 1 725 96 66 ASP H H 7.817 . 1 726 96 66 ASP HA H 4.240 . 1 727 96 66 ASP HB2 H 2.344 . 2 728 96 66 ASP HB3 H 2.185 . 2 729 96 66 ASP CA C 55.740 . 1 730 96 66 ASP CB C 42.473 . 1 731 96 66 ASP N N 128.348 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 6 '6,6' '89,89,89,90,90,90' '138,138,138' '169,169,169,170,170,170' '231,231,231' '323,323,323' '461,461,461,462,462,462' '501,501,501,502,502,502' '514,514,514' '583,583,583,584,584,584' '667,667,667,668,668,668' '702,702,702' stop_ save_