data_5940 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone assignment of the carboxyl terminal domain of the cytokine binding module of the interleukin-6 receptor (IL-6R) ; _BMRB_accession_number 5940 _BMRB_flat_file_name bmr5940.str _Entry_type original _Submission_date 2003-09-09 _Accession_date 2003-09-09 _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 Schwantner Andreas . . 2 Dingley Andrew J . 3 Ozbek Suat . . 4 Rose-John Stefan . . 5 Grotzinger Joachim . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 342 "13C chemical shifts" 393 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 update BMRB 'Entry citation updated' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, 13C Backbone Assignment of the Carboxyl Terminal Domain of the Cytokine Binding Module of the Interleukin-6 Receptor ; _Citation_status published _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 Schwantner Andreas . . 2 Dingley Andrew J. . 3 Ozbek Suat . . 4 Hecht Oliver . . 5 Rose-John Stefan . . 6 Grotzinger Joachim . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 407 _Page_last 408 _Year 2004 _Details . loop_ _Keyword '3D NMR' 'backbone assignment' IL-6R 'cytokine receptor' 'FN III domain' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Direct determination of the interleukin-6 binding epitope of the interleukin-6 receptor by NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14557255 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwantner Andreas . . 2 Dingley Andrew J. . 3 Ozbek Suat . . 4 Rose-John Stefan . . 5 Grotzinger Joachim . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full . _Journal_volume 279 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 571 _Page_last 576 _Year 2004 _Details . loop_ _Keyword '3D NMR' 'backbone assignment' IL-6R 'cytokine receptor' 'FN III domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_IL-6R _Saveframe_category molecular_system _Mol_system_name 'third domain of the interleukin-6 receptor' _Abbreviation_common IL-6R _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'interleukin-6 receptor' $IL-6R-D3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'binds interleukin-6' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IL-6R-D3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'interleukin-6 receptor' _Name_variant IL-6R-D3 _Abbreviation_common IL-6R-D3 _Molecular_mass 14500 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MGILQPDPPANITVTAVARN PRWLSVTWQDPHSWNSSFYR LRFELRYRAERSKTFTTWMV KDLQHHCVIHDAWSGLRHVV QLRAQEEFGQGEWSEWSPEA MGTPWTESRSPPAENEVSTP MQALTT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ILE 4 LEU 5 GLN 6 PRO 7 ASP 8 PRO 9 PRO 10 ALA 11 ASN 12 ILE 13 THR 14 VAL 15 THR 16 ALA 17 VAL 18 ALA 19 ARG 20 ASN 21 PRO 22 ARG 23 TRP 24 LEU 25 SER 26 VAL 27 THR 28 TRP 29 GLN 30 ASP 31 PRO 32 HIS 33 SER 34 TRP 35 ASN 36 SER 37 SER 38 PHE 39 TYR 40 ARG 41 LEU 42 ARG 43 PHE 44 GLU 45 LEU 46 ARG 47 TYR 48 ARG 49 ALA 50 GLU 51 ARG 52 SER 53 LYS 54 THR 55 PHE 56 THR 57 THR 58 TRP 59 MET 60 VAL 61 LYS 62 ASP 63 LEU 64 GLN 65 HIS 66 HIS 67 CYS 68 VAL 69 ILE 70 HIS 71 ASP 72 ALA 73 TRP 74 SER 75 GLY 76 LEU 77 ARG 78 HIS 79 VAL 80 VAL 81 GLN 82 LEU 83 ARG 84 ALA 85 GLN 86 GLU 87 GLU 88 PHE 89 GLY 90 GLN 91 GLY 92 GLU 93 TRP 94 SER 95 GLU 96 TRP 97 SER 98 PRO 99 GLU 100 ALA 101 MET 102 GLY 103 THR 104 PRO 105 TRP 106 THR 107 GLU 108 SER 109 ARG 110 SER 111 PRO 112 PRO 113 ALA 114 GLU 115 ASN 116 GLU 117 VAL 118 SER 119 THR 120 PRO 121 MET 122 GLN 123 ALA 124 LEU 125 THR 126 THR 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 1N26 "Crystal Structure Of The Extra-Cellular Domains Of Human Interleukin-6 Receptor Alpha Chain" 100.00 325 99.21 99.21 3.38e-85 PDB 1P9M "Crystal Structure Of The Hexameric Human Il-6/il-6 Alpha Receptor/gp130 Complex" 83.33 201 99.05 99.05 1.49e-71 PDB 2ARW "The Solution Structure Of The Membrane Proximal Cytokine Receptor Domain Of The Human Interleukin-6 Receptor" 100.00 126 100.00 100.00 4.32e-87 DBJ BAD97302 "interleukin 6 receptor isoform 1 precursor variant [Homo sapiens]" 99.21 468 100.00 100.00 3.65e-84 DBJ BAF85702 "unnamed protein product [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85 DBJ BAG35601 "unnamed protein product [Homo sapiens]" 99.21 468 100.00 100.00 3.61e-84 DBJ BAI46031 "interleukin 6 receptor [synthetic construct]" 99.21 468 100.00 100.00 3.69e-84 EMBL CAA31312 "IL-6 receptor precursor (AA -19 to 449) [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 EMBL CAA41231 "interleukin-6-receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 GB AAH89410 "Interleukin 6 receptor [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85 GB AAI32685 "Interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 GB AAI32687 "Interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 GB AAX36842 "interleukin 6 receptor [synthetic construct]" 99.21 469 100.00 100.00 3.55e-84 GB ABK41906 "interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 PRF 1502360A "interleukin 6 receptor" 99.21 468 99.20 99.20 3.01e-83 REF NP_000556 "interleukin-6 receptor subunit alpha isoform 1 precursor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84 REF NP_852004 "interleukin-6 receptor subunit alpha isoform 2 precursor [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85 REF XP_001114404 "PREDICTED: interleukin-6 receptor subunit alpha [Macaca mulatta]" 100.00 468 97.62 97.62 4.06e-82 REF XP_002810148 "PREDICTED: interleukin-6 receptor subunit alpha isoform X2 [Pongo abelii]" 99.21 468 100.00 100.00 4.78e-84 REF XP_003308452 "PREDICTED: interleukin-6 receptor subunit alpha isoform X6 [Pan troglodytes]" 100.00 365 98.41 98.41 2.89e-84 SP P08887 "RecName: Full=Interleukin-6 receptor subunit alpha; Short=IL-6 receptor subunit alpha; Short=IL-6R subunit alpha; Short=IL-6R-a" 99.21 468 100.00 100.00 3.69e-84 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-6R-D3 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 $IL-6R-D3 'recombinant technology' . . . . . 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 $IL-6R-D3 1.0 mM '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 n/a temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'interleukin-6 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 . 2 GLY CA C 42.939 . 1 2 . 2 GLY HA2 H 3.882 . 2 3 . 2 GLY C C 170.475 . 1 4 . 3 ILE N N 119.422 . 1 5 . 3 ILE H H 8.535 . 1 6 . 3 ILE CA C 61.303 . 1 7 . 3 ILE HA H 4.180 . 1 8 . 3 ILE CB C 39.004 . 1 9 . 3 ILE HB H 1.794 . 1 10 . 3 ILE CG1 C 27.242 . 2 11 . 3 ILE CD1 C 13.196 . 1 12 . 3 ILE CG2 C 17.605 . 2 13 . 3 ILE C C 176.178 . 1 14 . 4 LEU N N 125.326 . 1 15 . 4 LEU H H 8.517 . 1 16 . 4 LEU CA C 55.182 . 1 17 . 4 LEU HA H 4.321 . 1 18 . 4 LEU CB C 42.065 . 1 19 . 4 LEU HB2 H 1.631 . 2 20 . 4 LEU CG C 27.021 . 1 21 . 4 LEU CD1 C 24.550 . 2 22 . 4 LEU CD2 C 23.434 . 2 23 . 4 LEU C C 175.840 . 1 24 . 5 GLN N N 122.009 . 1 25 . 5 GLN H H 8.117 . 1 26 . 5 GLN CA C 52.996 . 1 27 . 5 GLN CB C 29.822 . 1 28 . 6 PRO CA C 63.489 . 1 29 . 6 PRO HA H 4.392 . 1 30 . 6 PRO CB C 32.008 . 1 31 . 6 PRO HB3 H 2.266 . 2 32 . 6 PRO HB2 H 1.962 . 2 33 . 6 PRO CG C 27.253 . 1 34 . 6 PRO CD C 51.204 . 1 35 . 7 ASP N N 125.920 . 1 36 . 7 ASP H H 8.073 . 1 37 . 7 ASP CA C 56.931 . 1 38 . 7 ASP CB C 33.757 . 1 39 . 9 PRO CA C 63.052 . 1 40 . 9 PRO HA H 4.268 . 1 41 . 9 PRO CB C 32.446 . 1 42 . 9 PRO HB3 H 2.312 . 2 43 . 9 PRO HB2 H 1.630 . 2 44 . 9 PRO CG C 28.927 . 1 45 . 9 PRO CD C 49.580 . 1 46 . 9 PRO C C 172.645 . 1 47 . 10 ALA N N 120.974 . 1 48 . 10 ALA H H 7.804 . 1 49 . 10 ALA CA C 50.372 . 1 50 . 10 ALA HA H 4.745 . 1 51 . 10 ALA CB C 23.264 . 1 52 . 10 ALA HB H 1.317 . 1 53 . 10 ALA C C 176.386 . 1 54 . 11 ASN N N 115.682 . 1 55 . 11 ASN H H 8.882 . 1 56 . 11 ASN CA C 53.870 . 1 57 . 11 ASN HA H 4.309 . 1 58 . 11 ASN CB C 37.255 . 1 59 . 11 ASN HB3 H 2.965 . 2 60 . 11 ASN HB2 H 2.486 . 2 61 . 11 ASN C C 174.111 . 1 62 . 12 ILE N N 119.315 . 1 63 . 12 ILE H H 8.295 . 1 64 . 12 ILE CA C 62.178 . 1 65 . 12 ILE HA H 4.745 . 1 66 . 12 ILE CB C 37.692 . 1 67 . 12 ILE HB H 1.754 . 1 68 . 12 ILE CG1 C 28.889 . 2 69 . 12 ILE CD1 C 15.388 . 1 70 . 12 ILE CG2 C 18.518 . 2 71 . 12 ILE C C 177.774 . 1 72 . 13 THR N N 121.832 . 1 73 . 13 THR H H 9.301 . 1 74 . 13 THR CA C 60.866 . 1 75 . 13 THR HA H 4.668 . 1 76 . 13 THR CB C 71.360 . 1 77 . 13 THR HB H 4.101 . 1 78 . 13 THR CG2 C 21.310 . 1 79 . 13 THR C C 173.147 . 1 80 . 14 VAL N N 126.283 . 1 81 . 14 VAL H H 8.915 . 1 82 . 14 VAL CA C 60.876 . 1 83 . 14 VAL HA H 4.965 . 1 84 . 14 VAL CB C 32.883 . 1 85 . 14 VAL HB H 1.979 . 1 86 . 14 VAL CG2 C 23.027 . 2 87 . 14 VAL CG1 C 21.203 . 2 88 . 14 VAL C C 175.571 . 1 89 . 15 THR N N 118.697 . 1 90 . 15 THR H H 9.349 . 1 91 . 15 THR CA C 60.429 . 1 92 . 15 THR HA H 4.883 . 1 93 . 15 THR CB C 72.234 . 1 94 . 15 THR HB H 4.232 . 1 95 . 15 THR CG2 C 21.637 . 1 96 . 15 THR C C 173.264 . 1 97 . 16 ALA N N 124.445 . 1 98 . 16 ALA H H 8.673 . 1 99 . 16 ALA CA C 52.559 . 1 100 . 16 ALA HA H 4.408 . 1 101 . 16 ALA CB C 20.203 . 1 102 . 16 ALA HB H 1.685 . 1 103 . 17 VAL N N 122.526 . 1 104 . 17 VAL H H 9.771 . 1 105 . 17 VAL CA C 61.741 . 1 106 . 17 VAL HA H 4.137 . 1 107 . 17 VAL CB C 33.320 . 1 108 . 17 VAL HB H 2.097 . 1 109 . 17 VAL CG2 C 20.989 . 2 110 . 17 VAL CG1 C 17.826 . 2 111 . 17 VAL C C 174.841 . 1 112 . 18 ALA N N 129.004 . 1 113 . 18 ALA H H 8.568 . 1 114 . 18 ALA CA C 53.870 . 1 115 . 18 ALA CB C 17.580 . 1 116 . 24 LEU CA C 53.870 . 1 117 . 24 LEU HA H 4.703 . 1 118 . 24 LEU CB C 47.312 . 1 119 . 24 LEU HB3 H 1.263 . 2 120 . 24 LEU HB2 H 0.923 . 2 121 . 24 LEU CG C 26.310 . 1 122 . 24 LEU CD1 C 24.797 . 2 123 . 24 LEU CD2 C 24.526 . 1 124 . 24 LEU C C 174.731 . 1 125 . 25 SER N N 117.485 . 1 126 . 25 SER H H 9.428 . 1 127 . 25 SER CA C 56.931 . 1 128 . 25 SER HA H 4.830 . 1 129 . 25 SER CB C 63.052 . 1 130 . 25 SER HB3 H 3.968 . 2 131 . 25 SER HB2 H 3.622 . 2 132 . 26 VAL N N 130.084 . 1 133 . 26 VAL H H 9.121 . 1 134 . 26 VAL CA C 61.303 . 1 135 . 26 VAL HA H 5.351 . 1 136 . 26 VAL CB C 34.195 . 1 137 . 26 VAL HB H 2.361 . 1 138 . 26 VAL CG2 C 22.426 . 2 139 . 26 VAL CG1 C 21.222 . 2 140 . 26 VAL C C 175.449 . 1 141 . 27 THR N N 119.335 . 1 142 . 27 THR H H 8.868 . 1 143 . 27 THR CA C 61.185 . 1 144 . 27 THR HA H 4.969 . 1 145 . 27 THR CB C 71.797 . 1 146 . 27 THR HB H 4.148 . 1 147 . 27 THR CG2 C 21.492 . 1 148 . 27 THR C C 172.685 . 1 149 . 28 TRP N N 117.925 . 1 150 . 28 TRP H H 7.571 . 1 151 . 28 TRP CA C 56.931 . 1 152 . 28 TRP HA H 5.094 . 1 153 . 28 TRP CB C 31.134 . 1 154 . 28 TRP HB3 H 3.389 . 2 155 . 28 TRP HB2 H 2.964 . 2 156 . 28 TRP C C 173.152 . 1 157 . 29 GLN N N 115.091 . 1 158 . 29 GLN H H 8.926 . 1 159 . 29 GLN CA C 53.433 . 1 160 . 29 GLN HA H 4.708 . 1 161 . 29 GLN CB C 33.129 . 1 162 . 29 GLN HB3 H 2.265 . 2 163 . 29 GLN HB2 H 1.800 . 2 164 . 29 GLN CG C 34.049 . 1 165 . 29 GLN C C 176.475 . 1 166 . 30 ASP N N 120.976 . 1 167 . 30 ASP H H 8.889 . 1 168 . 30 ASP CA C 53.870 . 1 169 . 30 ASP CB C 39.004 . 1 170 . 31 PRO CA C 62.615 . 1 171 . 31 PRO HA H 4.451 . 1 172 . 31 PRO CB C 31.954 . 1 173 . 31 PRO HB3 H 2.391 . 2 174 . 31 PRO HB2 H 2.044 . 2 175 . 31 PRO CG C 27.388 . 1 176 . 31 PRO CD C 50.147 . 1 177 . 31 PRO C C 178.735 . 1 178 . 32 HIS N N 121.381 . 1 179 . 32 HIS H H 9.132 . 1 180 . 32 HIS CA C 57.805 . 1 181 . 32 HIS HA H 4.482 . 1 182 . 32 HIS CB C 28.073 . 1 183 . 32 HIS HB3 H 3.476 . 2 184 . 32 HIS HB2 H 3.310 . 2 185 . 32 HIS C C 175.340 . 1 186 . 33 SER N N 109.673 . 1 187 . 33 SER H H 8.186 . 1 188 . 33 SER CA C 57.680 . 1 189 . 33 SER HA H 4.315 . 1 190 . 33 SER CB C 63.052 . 1 191 . 33 SER HB3 H 4.186 . 2 192 . 33 SER HB2 H 3.927 . 2 193 . 33 SER C C 174.650 . 1 194 . 34 TRP N N 124.086 . 1 195 . 34 TRP H H 7.798 . 1 196 . 34 TRP CA C 57.368 . 1 197 . 34 TRP HA H 4.571 . 1 198 . 34 TRP CB C 30.697 . 1 199 . 34 TRP HB3 H 3.360 . 2 200 . 34 TRP HB2 H 3.272 . 2 201 . 34 TRP C C 175.313 . 1 202 . 35 ASN N N 124.080 . 1 203 . 35 ASN H H 7.533 . 1 204 . 35 ASN CA C 52.121 . 1 205 . 35 ASN HA H 4.750 . 1 206 . 35 ASN CB C 38.130 . 1 207 . 35 ASN HB2 H 2.578 . 2 208 . 35 ASN C C 175.302 . 1 209 . 36 SER N N 118.100 . 1 210 . 36 SER H H 8.156 . 1 211 . 36 SER CA C 59.117 . 1 212 . 36 SER HA H 4.658 . 1 213 . 36 SER CB C 63.489 . 1 214 . 36 SER HB2 H 3.965 . 2 215 . 36 SER C C 175.165 . 1 216 . 37 SER N N 117.120 . 1 217 . 37 SER H H 8.437 . 1 218 . 37 SER CA C 59.992 . 1 219 . 37 SER HA H 4.276 . 1 220 . 37 SER CB C 63.052 . 1 221 . 37 SER HB2 H 3.669 . 2 222 . 37 SER C C 174.638 . 1 223 . 38 PHE N N 119.420 . 1 224 . 38 PHE H H 7.735 . 1 225 . 38 PHE CA C 57.805 . 1 226 . 38 PHE HA H 4.492 . 1 227 . 38 PHE CB C 40.316 . 1 228 . 38 PHE HB2 H 2.538 . 2 229 . 38 PHE C C 175.413 . 1 230 . 39 TYR N N 117.385 . 1 231 . 39 TYR H H 7.883 . 1 232 . 39 TYR CA C 56.494 . 1 233 . 39 TYR HA H 4.961 . 1 234 . 39 TYR CB C 40.753 . 1 235 . 39 TYR HB3 H 3.451 . 2 236 . 39 TYR HB2 H 3.007 . 2 237 . 40 ARG N N 121.524 . 1 238 . 40 ARG H H 9.177 . 1 239 . 40 ARG CA C 55.182 . 1 240 . 40 ARG HA H 4.834 . 1 241 . 40 ARG CB C 32.008 . 1 242 . 40 ARG HB3 H 1.924 . 2 243 . 40 ARG HB2 H 1.795 . 2 244 . 40 ARG CG C 27.275 . 1 245 . 40 ARG CD C 43.522 . 1 246 . 40 ARG C C 175.724 . 1 247 . 41 LEU N N 119.399 . 1 248 . 41 LEU H H 7.969 . 1 249 . 41 LEU CA C 52.996 . 1 250 . 41 LEU HA H 4.443 . 1 251 . 41 LEU CB C 44.688 . 1 252 . 41 LEU CG C 25.069 . 1 253 . 41 LEU CD1 C 22.351 . 2 254 . 41 LEU C C 175.910 . 1 255 . 42 ARG N N 116.606 . 1 256 . 42 ARG H H 8.786 . 1 257 . 42 ARG CA C 52.996 . 1 258 . 42 ARG HA H 4.529 . 1 259 . 42 ARG CB C 33.320 . 1 260 . 42 ARG HB2 H 1.927 . 2 261 . 42 ARG CG C 25.731 . 1 262 . 42 ARG CD C 43.522 . 1 263 . 42 ARG C C 174.383 . 1 264 . 43 PHE N N 114.713 . 1 265 . 43 PHE H H 8.535 . 1 266 . 43 PHE CA C 56.494 . 1 267 . 43 PHE HA H 5.785 . 1 268 . 43 PHE CB C 43.377 . 1 269 . 43 PHE HB3 H 2.622 . 2 270 . 43 PHE HB2 H 2.218 . 2 271 . 43 PHE C C 177.954 . 1 272 . 44 GLU N N 122.317 . 1 273 . 44 GLU H H 8.595 . 1 274 . 44 GLU CA C 54.745 . 1 275 . 45 LEU CA C 53.623 . 1 276 . 45 LEU HA H 5.090 . 1 277 . 45 LEU CB C 46.000 . 1 278 . 45 LEU HB3 H 1.453 . 2 279 . 45 LEU HB2 H 1.061 . 2 280 . 45 LEU CG C 27.608 . 1 281 . 45 LEU CD1 C 25.946 . 2 282 . 45 LEU C C 174.934 . 1 283 . 46 ARG N N 120.712 . 1 284 . 46 ARG H H 9.264 . 1 285 . 46 ARG CA C 53.433 . 1 286 . 46 ARG HA H 5.788 . 1 287 . 46 ARG CB C 34.195 . 1 288 . 46 ARG CG C 28.340 . 1 289 . 46 ARG CD C 42.361 . 1 290 . 46 ARG C C 173.882 . 1 291 . 47 TYR N N 115.244 . 1 292 . 47 TYR H H 8.770 . 1 293 . 47 TYR CA C 55.182 . 1 294 . 47 TYR HA H 6.136 . 1 295 . 47 TYR CB C 42.502 . 1 296 . 47 TYR HB3 H 3.042 . 2 297 . 47 TYR HB2 H 2.793 . 2 298 . 47 TYR C C 174.248 . 1 299 . 48 ARG N N 114.407 . 1 300 . 48 ARG H H 8.819 . 1 301 . 48 ARG CA C 54.308 . 1 302 . 48 ARG HA H 4.707 . 1 303 . 48 ARG CB C 32.883 . 1 304 . 48 ARG HB3 H 1.794 . 2 305 . 48 ARG CG C 26.441 . 1 306 . 48 ARG CD C 41.860 . 1 307 . 48 ARG C C 174.648 . 1 308 . 49 ALA N N 125.094 . 1 309 . 49 ALA H H 8.517 . 1 310 . 49 ALA CA C 51.684 . 1 311 . 49 ALA HA H 4.963 . 1 312 . 49 ALA CB C 18.017 . 1 313 . 49 ALA HB H 0.752 . 1 314 . 49 ALA C C 179.399 . 1 315 . 50 GLU N N 121.749 . 1 316 . 50 GLU H H 8.630 . 1 317 . 50 GLU CA C 59.117 . 1 318 . 50 GLU HA H 3.714 . 1 319 . 50 GLU CB C 29.385 . 1 320 . 50 GLU HB2 H 1.845 . 2 321 . 50 GLU CG C 35.811 . 1 322 . 51 ARG N N 112.020 . 1 323 . 51 ARG H H 7.554 . 1 324 . 51 ARG CA C 56.056 . 1 325 . 51 ARG HA H 4.185 . 1 326 . 51 ARG CB C 29.478 . 1 327 . 51 ARG HB3 H 1.841 . 2 328 . 51 ARG HB2 H 1.710 . 2 329 . 51 ARG CG C 26.724 . 1 330 . 51 ARG CD C 43.246 . 1 331 . 51 ARG C C 175.855 . 1 332 . 52 SER N N 115.400 . 1 333 . 52 SER H H 7.608 . 1 334 . 52 SER CA C 56.494 . 1 335 . 52 SER HA H 4.485 . 1 336 . 52 SER CB C 64.364 . 1 337 . 52 SER HB3 H 3.704 . 2 338 . 52 SER HB2 H 3.531 . 2 339 . 52 SER C C 174.322 . 1 340 . 53 LYS N N 121.791 . 1 341 . 53 LYS H H 8.556 . 1 342 . 53 LYS CA C 56.464 . 1 343 . 53 LYS HA H 4.137 . 1 344 . 53 LYS CB C 33.320 . 1 345 . 53 LYS HB3 H 1.836 . 2 346 . 53 LYS HB2 H 1.663 . 2 347 . 53 LYS CG C 24.797 . 1 348 . 53 LYS CD C 28.652 . 1 349 . 53 LYS CE C 42.145 . 1 350 . 53 LYS C C 176.778 . 1 351 . 54 THR N N 112.539 . 1 352 . 54 THR H H 7.686 . 1 353 . 54 THR CA C 60.866 . 1 354 . 54 THR HA H 4.266 . 1 355 . 54 THR CB C 70.485 . 1 356 . 54 THR HB H 3.962 . 1 357 . 54 THR CG2 C 21.753 . 1 358 . 54 THR C C 174.003 . 1 359 . 55 PHE N N 121.565 . 1 360 . 55 PHE H H 8.784 . 1 361 . 55 PHE CA C 58.680 . 1 362 . 55 PHE HA H 4.448 . 1 363 . 55 PHE CB C 40.753 . 1 364 . 55 PHE HB3 H 2.609 . 2 365 . 55 PHE HB2 H 2.530 . 2 366 . 55 PHE C C 177.185 . 1 367 . 56 THR N N 120.436 . 1 368 . 56 THR H H 8.766 . 1 369 . 56 THR CA C 62.615 . 1 370 . 56 THR HA H 4.312 . 1 371 . 56 THR CB C 69.611 . 1 372 . 56 THR HG2 H 1.405 . 1 373 . 56 THR CG2 C 22.088 . 1 374 . 56 THR C C 178.129 . 1 375 . 57 THR N N 119.796 . 1 376 . 57 THR H H 8.436 . 1 377 . 57 THR CA C 60.429 . 1 378 . 57 THR HA H 5.312 . 1 379 . 57 THR CB C 70.923 . 1 380 . 57 THR HB H 3.879 . 1 381 . 57 THR CG2 C 20.835 . 1 382 . 57 THR C C 174.278 . 1 383 . 58 TRP N N 122.745 . 1 384 . 58 TRP H H 9.156 . 1 385 . 58 TRP CA C 56.056 . 1 386 . 58 TRP HA H 3.670 . 1 387 . 58 TRP CB C 32.008 . 1 388 . 58 TRP HB2 H 3.356 . 2 389 . 58 TRP C C 175.242 . 1 390 . 59 MET N N 121.832 . 1 391 . 59 MET H H 8.611 . 1 392 . 59 MET CA C 54.308 . 1 393 . 59 MET HA H 4.872 . 1 394 . 59 MET CB C 31.571 . 1 395 . 59 MET HB2 H 2.099 . 2 396 . 59 MET C C 176.287 . 1 397 . 60 VAL N N 126.878 . 1 398 . 60 VAL H H 8.642 . 1 399 . 60 VAL CA C 63.489 . 1 400 . 60 VAL HA H 4.057 . 1 401 . 60 VAL CB C 31.571 . 1 402 . 60 VAL HB H 2.448 . 1 403 . 60 VAL CG1 C 21.484 . 2 404 . 60 VAL C C 177.360 . 1 405 . 61 LYS N N 129.175 . 1 406 . 61 LYS H H 8.793 . 1 407 . 61 LYS CA C 57.368 . 1 408 . 61 LYS HA H 4.300 . 1 409 . 61 LYS CB C 33.320 . 1 410 . 61 LYS HB2 H 1.871 . 2 411 . 61 LYS CG C 25.158 . 1 412 . 61 LYS CD C 29.101 . 1 413 . 61 LYS CE C 41.841 . 1 414 . 62 ASP N N 118.710 . 1 415 . 62 ASP H H 8.377 . 1 416 . 62 ASP CA C 55.182 . 1 417 . 62 ASP HA H 4.490 . 1 418 . 62 ASP CB C 40.753 . 1 419 . 62 ASP HB3 H 2.883 . 2 420 . 62 ASP HB2 H 2.801 . 2 421 . 63 LEU N N 116.949 . 1 422 . 63 LEU H H 8.700 . 1 423 . 63 LEU CA C 55.534 . 1 424 . 63 LEU HA H 4.443 . 1 425 . 63 LEU CB C 39.879 . 1 426 . 63 LEU HB3 H 1.928 . 2 427 . 63 LEU HB2 H 1.801 . 2 428 . 63 LEU CG C 27.000 . 1 429 . 63 LEU CD1 C 25.348 . 2 430 . 63 LEU CD2 C 23.145 . 2 431 . 63 LEU C C 177.682 . 1 432 . 64 GLN N N 116.833 . 1 433 . 64 GLN H H 7.701 . 1 434 . 64 GLN CA C 56.056 . 1 435 . 64 GLN HA H 4.359 . 1 436 . 64 GLN CB C 29.822 . 1 437 . 64 GLN HB3 H 2.102 . 2 438 . 64 GLN HB2 H 2.044 . 2 439 . 64 GLN CG C 34.481 . 1 440 . 64 GLN C C 175.084 . 1 441 . 65 HIS N N 115.517 . 1 442 . 65 HIS H H 8.339 . 1 443 . 65 HIS CA C 54.745 . 1 444 . 65 HIS HA H 3.354 . 1 445 . 65 HIS CB C 26.324 . 1 446 . 65 HIS HB3 H 3.214 . 2 447 . 65 HIS HB2 H 3.172 . 2 448 . 65 HIS C C 171.346 . 1 449 . 66 HIS N N 112.407 . 1 450 . 66 HIS H H 6.489 . 1 451 . 66 HIS CA C 53.870 . 1 452 . 66 HIS HA H 5.093 . 1 453 . 66 HIS CB C 31.134 . 1 454 . 66 HIS HB3 H 3.179 . 2 455 . 66 HIS HB2 H 2.875 . 2 456 . 66 HIS C C 173.446 . 1 457 . 67 CYS N N 117.460 . 1 458 . 67 CYS H H 9.171 . 1 459 . 67 CYS CA C 56.931 . 1 460 . 67 CYS HA H 4.659 . 1 461 . 67 CYS CB C 30.697 . 1 462 . 67 CYS HB3 H 3.233 . 2 463 . 67 CYS HB2 H 3.096 . 2 464 . 67 CYS C C 171.190 . 1 465 . 68 VAL N N 121.029 . 1 466 . 68 VAL H H 8.393 . 1 467 . 68 VAL CA C 60.866 . 1 468 . 68 VAL HA H 4.747 . 1 469 . 68 VAL CB C 33.757 . 1 470 . 68 VAL HB H 1.401 . 1 471 . 68 VAL CG1 C 21.148 . 2 472 . 68 VAL C C 175.836 . 1 473 . 69 ILE N N 128.062 . 1 474 . 69 ILE H H 8.898 . 1 475 . 69 ILE CA C 61.283 . 1 476 . 69 ILE HA H 3.706 . 1 477 . 69 ILE CB C 39.879 . 1 478 . 69 ILE HB H 1.365 . 1 479 . 69 ILE CG1 C 27.963 . 2 480 . 69 ILE CD1 C 13.236 . 1 481 . 69 ILE CG2 C 16.684 . 2 482 . 69 ILE C C 176.591 . 1 483 . 70 HIS N N 121.614 . 1 484 . 70 HIS H H 8.968 . 1 485 . 70 HIS CA C 55.182 . 1 486 . 70 HIS HA H 4.789 . 1 487 . 70 HIS CB C 29.822 . 1 488 . 70 HIS HB3 H 3.317 . 2 489 . 70 HIS HB2 H 2.837 . 2 490 . 70 HIS C C 173.700 . 1 491 . 71 ASP N N 119.984 . 1 492 . 71 ASP H H 7.997 . 1 493 . 71 ASP CA C 52.121 . 1 494 . 71 ASP HA H 4.864 . 1 495 . 71 ASP CB C 39.879 . 1 496 . 71 ASP HB3 H 2.920 . 2 497 . 71 ASP HB2 H 2.488 . 2 498 . 71 ASP C C 176.571 . 1 499 . 72 ALA N N 123.919 . 1 500 . 72 ALA H H 8.679 . 1 501 . 72 ALA CA C 52.121 . 1 502 . 72 ALA HA H 4.107 . 1 503 . 72 ALA CB C 17.143 . 1 504 . 72 ALA HB H 0.526 . 1 505 . 73 TRP N N 125.365 . 1 506 . 73 TRP H H 10.464 . 1 507 . 73 TRP CA C 58.243 . 1 508 . 73 TRP HA H 4.623 . 1 509 . 73 TRP CB C 33.320 . 1 510 . 73 TRP HB2 H 3.884 . 2 511 . 73 TRP C C 173.335 . 1 512 . 74 SER N N 118.704 . 1 513 . 74 SER H H 8.372 . 1 514 . 74 SER CA C 59.554 . 1 515 . 74 SER HA H 4.227 . 1 516 . 74 SER CB C 63.653 . 1 517 . 74 SER HB3 H 3.883 . 2 518 . 74 SER HB2 H 3.826 . 2 519 . 75 GLY N N 109.950 . 1 520 . 75 GLY H H 8.769 . 1 521 . 75 GLY CA C 45.993 . 1 522 . 75 GLY HA3 H 4.095 . 2 523 . 75 GLY HA2 H 3.575 . 2 524 . 75 GLY C C 173.555 . 1 525 . 76 LEU N N 118.377 . 1 526 . 76 LEU H H 7.483 . 1 527 . 76 LEU CA C 53.433 . 1 528 . 76 LEU HA H 4.875 . 1 529 . 76 LEU CB C 43.814 . 1 530 . 76 LEU HB3 H 1.706 . 2 531 . 76 LEU HB2 H 1.534 . 2 532 . 76 LEU CG C 26.161 . 1 533 . 76 LEU CD1 C 22.568 . 2 534 . 76 LEU C C 176.667 . 1 535 . 77 ARG N N 123.245 . 1 536 . 77 ARG H H 8.920 . 1 537 . 77 ARG CA C 57.368 . 1 538 . 77 ARG HA H 4.747 . 1 539 . 77 ARG CB C 31.134 . 1 540 . 77 ARG HB3 H 1.840 . 2 541 . 77 ARG HB2 H 1.707 . 2 542 . 77 ARG CG C 27.294 . 1 543 . 77 ARG CD C 44.321 . 1 544 . 77 ARG C C 176.866 . 1 545 . 78 HIS N N 123.475 . 1 546 . 78 HIS H H 9.667 . 1 547 . 78 HIS CA C 55.619 . 1 548 . 78 HIS HA H 5.181 . 1 549 . 78 HIS CB C 31.571 . 1 550 . 78 HIS HB2 H 2.791 . 2 551 . 78 HIS C C 173.700 . 1 552 . 79 VAL N N 118.247 . 1 553 . 79 VAL H H 8.935 . 1 554 . 79 VAL CA C 60.866 . 1 555 . 79 VAL HA H 4.748 . 1 556 . 79 VAL CB C 34.195 . 1 557 . 79 VAL HB H 1.797 . 1 558 . 79 VAL CG1 C 20.896 . 2 559 . 79 VAL C C 175.238 . 1 560 . 80 VAL N N 124.587 . 1 561 . 80 VAL H H 9.186 . 1 562 . 80 VAL CA C 60.429 . 1 563 . 80 VAL HA H 5.092 . 1 564 . 80 VAL CB C 35.069 . 1 565 . 80 VAL HB H 1.796 . 1 566 . 80 VAL CG1 C 21.239 . 2 567 . 80 VAL C C 175.916 . 1 568 . 81 GLN N N 121.350 . 1 569 . 81 GLN H H 9.103 . 1 570 . 81 GLN CA C 54.745 . 1 571 . 81 GLN HA H 4.528 . 1 572 . 81 GLN CB C 37.255 . 1 573 . 81 GLN C C 173.334 . 1 574 . 82 LEU N N 118.621 . 1 575 . 82 LEU H H 8.610 . 1 576 . 82 LEU CA C 54.922 . 1 577 . 82 LEU HA H 5.873 . 1 578 . 82 LEU CB C 49.281 . 1 579 . 82 LEU HB2 H 1.231 . 2 580 . 82 LEU CG C 28.735 . 1 581 . 82 LEU CD1 C 25.680 . 2 582 . 82 LEU CD2 C 24.210 . 2 583 . 82 LEU C C 176.067 . 1 584 . 83 ARG N N 115.660 . 1 585 . 83 ARG H H 8.659 . 1 586 . 83 ARG CA C 54.581 . 1 587 . 83 ARG HA H 4.405 . 1 588 . 83 ARG CB C 33.320 . 1 589 . 83 ARG C C 173.793 . 1 590 . 84 ALA N N 121.939 . 1 591 . 84 ALA H H 8.846 . 1 592 . 84 ALA CA C 49.935 . 1 593 . 84 ALA HA H 5.571 . 1 594 . 84 ALA CB C 25.450 . 1 595 . 84 ALA HB H 1.057 . 1 596 . 84 ALA C C 174.756 . 1 597 . 85 GLN N N 119.103 . 1 598 . 85 GLN H H 8.091 . 1 599 . 85 GLN CA C 53.433 . 1 600 . 85 GLN HA H 3.823 . 1 601 . 85 GLN CB C 30.697 . 1 602 . 85 GLN CG C 36.638 . 1 603 . 85 GLN C C 172.016 . 1 604 . 86 GLU N N 126.966 . 1 605 . 86 GLU H H 8.761 . 1 606 . 86 GLU CA C 59.157 . 1 607 . 88 PHE CA C 57.805 . 1 608 . 88 PHE HA H 4.661 . 1 609 . 88 PHE CB C 37.692 . 1 610 . 88 PHE HB3 H 3.359 . 2 611 . 88 PHE HB2 H 3.226 . 2 612 . 88 PHE C C 177.122 . 1 613 . 89 GLY N N 108.152 . 1 614 . 89 GLY H H 8.304 . 1 615 . 89 GLY CA C 45.563 . 1 616 . 89 GLY HA3 H 3.779 . 2 617 . 89 GLY HA2 H 3.363 . 2 618 . 90 GLN N N 118.988 . 1 619 . 90 GLN H H 8.524 . 1 620 . 90 GLN CA C 55.182 . 1 621 . 90 GLN HA H 4.225 . 1 622 . 90 GLN CB C 28.948 . 1 623 . 90 GLN HB3 H 2.012 . 2 624 . 90 GLN HB2 H 1.793 . 2 625 . 90 GLN CG C 34.167 . 1 626 . 90 GLN C C 176.222 . 1 627 . 91 GLY N N 107.154 . 1 628 . 91 GLY H H 8.193 . 1 629 . 91 GLY CA C 44.688 . 1 630 . 91 GLY HA2 H 3.973 . 2 631 . 91 GLY C C 176.471 . 1 632 . 92 GLU N N 118.139 . 1 633 . 92 GLU H H 8.429 . 1 634 . 92 GLU CA C 55.182 . 1 635 . 92 GLU CB C 31.134 . 1 636 . 95 GLU N N 122.709 . 1 637 . 95 GLU H H 8.443 . 1 638 . 97 SER N N 118.361 . 1 639 . 97 SER H H 8.335 . 1 640 . 98 PRO CA C 63.148 . 1 641 . 98 PRO HA H 4.616 . 1 642 . 98 PRO CB C 31.453 . 1 643 . 98 PRO HB3 H 2.490 . 2 644 . 98 PRO HB2 H 1.922 . 2 645 . 98 PRO CG C 28.159 . 1 646 . 98 PRO CD C 50.131 . 1 647 . 98 PRO C C 178.022 . 1 648 . 99 GLU N N 122.762 . 1 649 . 99 GLU H H 9.035 . 1 650 . 99 GLU CA C 58.243 . 1 651 . 99 GLU HA H 3.880 . 1 652 . 99 GLU CB C 30.259 . 1 653 . 99 GLU HB3 H 1.976 . 2 654 . 99 GLU HB2 H 1.751 . 2 655 . 99 GLU CG C 36.688 . 1 656 . 99 GLU C C 175.751 . 1 657 . 100 ALA N N 126.756 . 1 658 . 100 ALA H H 8.751 . 1 659 . 100 ALA CA C 50.372 . 1 660 . 100 ALA HA H 4.841 . 1 661 . 100 ALA CB C 21.515 . 1 662 . 100 ALA HB H 1.316 . 1 663 . 100 ALA C C 176.227 . 1 664 . 101 MET N N 117.978 . 1 665 . 101 MET H H 8.647 . 1 666 . 101 MET CA C 53.870 . 1 667 . 101 MET HA H 5.959 . 1 668 . 101 MET CB C 35.944 . 1 669 . 101 MET HB3 H 2.104 . 2 670 . 101 MET HB2 H 1.919 . 2 671 . 101 MET CG C 33.039 . 1 672 . 101 MET C C 177.189 . 1 673 . 102 GLY N N 105.387 . 1 674 . 102 GLY H H 8.375 . 1 675 . 102 GLY CA C 45.563 . 1 676 . 102 GLY HA3 H 4.491 . 2 677 . 102 GLY HA2 H 3.572 . 2 678 . 102 GLY C C 171.573 . 1 679 . 103 THR N N 118.656 . 1 680 . 103 THR H H 8.507 . 1 681 . 103 THR CA C 59.117 . 1 682 . 103 THR CB C 71.797 . 1 683 . 104 PRO CA C 59.218 . 1 684 . 104 PRO HA H 3.972 . 1 685 . 104 PRO CB C 28.101 . 1 686 . 104 PRO HB2 H 2.261 . 2 687 . 104 PRO C C 178.150 . 1 688 . 105 TRP N N 121.237 . 1 689 . 105 TRP H H 8.256 . 1 690 . 105 TRP CA C 59.117 . 1 691 . 105 TRP HA H 4.141 . 1 692 . 105 TRP CB C 29.822 . 1 693 . 105 TRP HB3 H 3.085 . 2 694 . 105 TRP HB2 H 2.825 . 2 695 . 105 TRP C C 175.818 . 1 696 . 106 THR N N 118.365 . 1 697 . 106 THR H H 7.120 . 1 698 . 106 THR CA C 59.554 . 1 699 . 106 THR HA H 3.968 . 1 700 . 106 THR CB C 71.360 . 1 701 . 106 THR HB H 3.791 . 1 702 . 106 THR CG2 C 21.217 . 1 703 . 106 THR C C 172.186 . 1 704 . 107 GLU N N 121.991 . 1 705 . 107 GLU H H 7.933 . 1 706 . 107 GLU CA C 56.494 . 1 707 . 107 GLU HA H 3.572 . 1 708 . 107 GLU CB C 29.822 . 1 709 . 107 GLU HB2 H 1.792 . 2 710 . 107 GLU CG C 36.067 . 1 711 . 107 GLU C C 176.541 . 1 712 . 108 SER N N 117.559 . 1 713 . 108 SER H H 8.268 . 1 714 . 108 SER CA C 58.243 . 1 715 . 108 SER HA H 4.344 . 1 716 . 108 SER CB C 63.489 . 1 717 . 108 SER HB2 H 3.780 . 2 718 . 108 SER C C 174.292 . 1 719 . 109 ARG N N 123.469 . 1 720 . 109 ARG H H 8.375 . 1 721 . 109 ARG CA C 56.056 . 1 722 . 109 ARG HA H 4.309 . 1 723 . 109 ARG CB C 31.134 . 1 724 . 109 ARG HB3 H 1.791 . 2 725 . 109 ARG HB2 H 1.706 . 2 726 . 109 ARG CG C 27.016 . 1 727 . 109 ARG CD C 43.219 . 1 728 . 109 ARG C C 175.227 . 1 729 . 110 SER N N 116.669 . 1 730 . 110 SER H H 8.191 . 1 731 . 110 SER CA C 54.745 . 1 732 . 110 SER CB C 64.364 . 1 733 . 112 PRO CA C 63.074 . 1 734 . 112 PRO HA H 4.397 . 1 735 . 112 PRO CB C 31.921 . 1 736 . 112 PRO HB3 H 2.314 . 2 737 . 112 PRO HB2 H 1.924 . 2 738 . 112 PRO CG C 27.284 . 1 739 . 112 PRO CD C 50.408 . 1 740 . 112 PRO C C 176.869 . 1 741 . 113 ALA N N 124.019 . 1 742 . 113 ALA H H 8.450 . 1 743 . 113 ALA CA C 52.121 . 1 744 . 113 ALA HA H 4.316 . 1 745 . 113 ALA CB C 19.329 . 1 746 . 113 ALA HB H 1.409 . 1 747 . 114 GLU N N 119.962 . 1 748 . 114 GLU H H 8.399 . 1 749 . 114 GLU CA C 56.056 . 1 750 . 114 GLU HA H 4.300 . 1 751 . 114 GLU CB C 30.259 . 1 752 . 114 GLU HB3 H 2.096 . 2 753 . 114 GLU HB2 H 1.923 . 2 754 . 114 GLU CG C 35.536 . 1 755 . 115 ASN N N 124.027 . 1 756 . 115 ASN H H 8.038 . 1 757 . 115 ASN CA C 54.745 . 1 758 . 115 ASN HA H 4.363 . 1 759 . 115 ASN CB C 40.316 . 1 760 . 115 ASN HB3 H 2.974 . 2 761 . 116 GLU N N 121.351 . 1 762 . 116 GLU H H 8.851 . 1 763 . 116 GLU CA C 56.056 . 1 764 . 116 GLU HA H 4.436 . 1 765 . 116 GLU CB C 30.259 . 1 766 . 116 GLU HB3 H 2.092 . 2 767 . 116 GLU HB2 H 1.919 . 2 768 . 116 GLU CG C 35.458 . 1 769 . 116 GLU C C 176.502 . 1 770 . 117 VAL N N 121.511 . 1 771 . 117 VAL H H 8.362 . 1 772 . 117 VAL CA C 62.178 . 1 773 . 117 VAL HA H 4.218 . 1 774 . 117 VAL CB C 32.883 . 1 775 . 117 VAL HB H 2.092 . 1 776 . 117 VAL CG1 C 20.619 . 2 777 . 117 VAL C C 176.089 . 1 778 . 118 SER N N 119.980 . 1 779 . 118 SER H H 8.565 . 1 780 . 118 SER CA C 58.243 . 1 781 . 118 SER HA H 4.533 . 1 782 . 118 SER CB C 63.927 . 1 783 . 118 SER HB3 H 3.664 . 2 784 . 118 SER HB2 H 3.839 . 2 785 . 118 SER C C 176.332 . 1 786 . 119 THR N N 118.516 . 1 787 . 119 THR H H 8.287 . 1 788 . 119 THR CA C 59.554 . 1 789 . 119 THR CB C 69.611 . 1 790 . 120 PRO CA C 63.140 . 1 791 . 120 PRO HA H 4.400 . 1 792 . 120 PRO CB C 32.322 . 1 793 . 120 PRO HB3 H 2.317 . 2 794 . 120 PRO HB2 H 1.883 . 2 795 . 120 PRO CG C 27.356 . 1 796 . 120 PRO CD C 51.041 . 1 797 . 120 PRO C C 177.986 . 1 798 . 121 MET N N 120.659 . 1 799 . 121 MET H H 8.491 . 1 800 . 121 MET CA C 55.619 . 1 801 . 121 MET HA H 4.444 . 1 802 . 121 MET CB C 32.883 . 1 803 . 121 MET HB3 H 2.013 . 2 804 . 121 MET HB2 H 2.100 . 2 805 . 121 MET CG C 31.956 . 1 806 . 122 GLN N N 125.900 . 1 807 . 122 GLN H H 7.993 . 1 808 . 122 GLN CA C 57.368 . 1 809 . 122 GLN HA H 4.047 . 1 810 . 122 GLN CB C 30.259 . 1 811 . 122 GLN HB2 H 2.137 . 2 812 . 122 GLN CG C 32.783 . 1 813 . 122 GLN C C 172.745 . 1 814 . 123 ALA N N 127.085 . 1 815 . 123 ALA H H 8.799 . 1 816 . 123 ALA CA C 52.347 . 1 817 . 123 ALA HA H 4.397 . 1 818 . 123 ALA CB C 19.329 . 1 819 . 123 ALA HB H 1.402 . 1 820 . 124 LEU N N 122.148 . 1 821 . 124 LEU H H 8.518 . 1 822 . 124 LEU CA C 54.444 . 1 823 . 124 LEU HA H 4.147 . 1 824 . 124 LEU CB C 42.597 . 1 825 . 124 LEU HB2 H 1.760 . 2 826 . 124 LEU CG C 26.632 . 1 827 . 124 LEU CD1 C 23.872 . 2 828 . 125 THR N N 118.072 . 1 829 . 125 THR H H 8.698 . 1 830 . 125 THR CA C 61.971 . 1 831 . 125 THR HA H 4.490 . 1 832 . 125 THR CB C 69.681 . 1 833 . 125 THR HB H 4.230 . 1 834 . 125 THR CG2 C 21.492 . 1 835 . 126 THR N N 121.944 . 1 836 . 126 THR H H 7.978 . 1 837 . 126 THR CA C 63.052 . 1 838 . 126 THR CB C 70.485 . 1 stop_ save_