data_5126 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 15N and 13C Assignment of the Carboxyl Terminal Domain of the Ciliary Neurotrophic Factor Receptor (CNTFR) ; _BMRB_accession_number 5126 _BMRB_flat_file_name bmr5126.str _Entry_type original _Submission_date 2001-08-28 _Accession_date 2001-08-28 _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 Man D. . . 2 Xia Y. . . 3 Sze K. H. . 4 Smith D. K. . 5 He W. . . 6 Ip N. Y. . 7 Zhu G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 614 "13C chemical shifts" 451 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-08 original author . stop_ _Original_release_date 2002-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Complete 1H, 15N and 13C Assignment of the Carboxyl Terminal Domain of the Ciliary Neurotrophic Factor Receptor (CNTFR) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21882794 _PubMed_ID 11885987 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Man D. . . 2 Xia Y. . . 3 Sze K. H. . 4 Smith D. K. . 5 He W. . . 6 Ip N. Y. . 7 Zhu G. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 95 _Page_last 96 _Year 2002 _Details . loop_ _Keyword '3D NMR' 'NMR assignment' CNTFR stop_ save_ ################################## # Molecular system description # ################################## save_system_CNTFR _Saveframe_category molecular_system _Mol_system_name 'Ciliary Neurotrophic Factor Receptor' _Abbreviation_common CNTFR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CNTFR subunit 1' $CNTFR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CNTFR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ciliary Neurotrophic Factor Receptor' _Abbreviation_common CNTFR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GPLGSVKPDPPENVVARPVP SNPRRLEVTWQTPSTWPDPE SFPLKFFLRYRPLILDQWQH VELSNGTAHTITDAYAGKEY IIQVAAKDNEIGTWSDWSVA AHATPWTEE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 VAL 7 LYS 8 PRO 9 ASP 10 PRO 11 PRO 12 GLU 13 ASN 14 VAL 15 VAL 16 ALA 17 ARG 18 PRO 19 VAL 20 PRO 21 SER 22 ASN 23 PRO 24 ARG 25 ARG 26 LEU 27 GLU 28 VAL 29 THR 30 TRP 31 GLN 32 THR 33 PRO 34 SER 35 THR 36 TRP 37 PRO 38 ASP 39 PRO 40 GLU 41 SER 42 PHE 43 PRO 44 LEU 45 LYS 46 PHE 47 PHE 48 LEU 49 ARG 50 TYR 51 ARG 52 PRO 53 LEU 54 ILE 55 LEU 56 ASP 57 GLN 58 TRP 59 GLN 60 HIS 61 VAL 62 GLU 63 LEU 64 SER 65 ASN 66 GLY 67 THR 68 ALA 69 HIS 70 THR 71 ILE 72 THR 73 ASP 74 ALA 75 TYR 76 ALA 77 GLY 78 LYS 79 GLU 80 TYR 81 ILE 82 ILE 83 GLN 84 VAL 85 ALA 86 ALA 87 LYS 88 ASP 89 ASN 90 GLU 91 ILE 92 GLY 93 THR 94 TRP 95 SER 96 ASP 97 TRP 98 SER 99 VAL 100 ALA 101 ALA 102 HIS 103 ALA 104 THR 105 PRO 106 TRP 107 THR 108 GLU 109 GLU 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 1UC6 "Solution Structure Of The Carboxyl Terminal Domain Of The Ciliary Neurotrophic Factor Receptor" 100.00 109 100.00 100.00 1.73e-72 DBJ BAE23207 "unnamed protein product [Mus musculus]" 95.41 372 99.04 100.00 1.16e-66 DBJ BAG54504 "unnamed protein product [Homo sapiens]" 95.41 221 99.04 100.00 9.68e-69 DBJ BAI44631 "CNTF receptor alpha subunit [Mus musculus]" 95.41 372 99.04 100.00 1.25e-66 DBJ BAI46662 "ciliary neurotrophic factor receptor [synthetic construct]" 95.41 372 99.04 100.00 1.57e-66 GB AAA35707 "ciliary neurotrophic factor receptor [Homo sapiens]" 95.41 372 99.04 100.00 1.57e-66 GB AAA91337 "ciliary neurotrophic factor alpha receptor [Homo sapiens]" 95.41 372 99.04 100.00 1.57e-66 GB AAB25290 "ciliary neurotrophic factor receptor alpha component [Rattus norvegicus]" 95.41 372 100.00 100.00 1.67e-67 GB AAB25918 "ciliary neurotrophic factor receptor alpha, partial [Rattus sp.]" 69.72 93 98.68 100.00 8.29e-47 GB AAC25711 "ciliary neurotrophic factor receptor alpha precursor [Mus musculus]" 95.41 372 99.04 100.00 1.22e-66 REF NP_001003353 "ciliary neurotrophic factor receptor subunit alpha precursor [Canis lupus familiaris]" 95.41 372 97.12 98.08 1.24e-64 REF NP_001003929 "ciliary neurotrophic factor receptor subunit alpha precursor [Rattus norvegicus]" 95.41 372 100.00 100.00 1.67e-67 REF NP_001129528 "ciliary neurotrophic factor receptor subunit alpha isoform 1 precursor [Mus musculus]" 95.41 372 99.04 100.00 1.21e-66 REF NP_001193940 "ciliary neurotrophic factor receptor subunit alpha preproprotein [Homo sapiens]" 95.41 372 99.04 100.00 1.57e-66 REF NP_001244612 "ciliary neurotrophic factor receptor subunit alpha precursor [Macaca mulatta]" 95.41 372 98.08 99.04 7.13e-66 SP O88507 "RecName: Full=Ciliary neurotrophic factor receptor subunit alpha; Short=CNTF receptor subunit alpha; Short=CNTFR-alpha; Flags: " 95.41 372 99.04 100.00 1.21e-66 SP P26992 "RecName: Full=Ciliary neurotrophic factor receptor subunit alpha; Short=CNTF receptor subunit alpha; Short=CNTFR-alpha; Flags: " 95.41 372 99.04 100.00 1.57e-66 SP Q08406 "RecName: Full=Ciliary neurotrophic factor receptor subunit alpha; Short=CNTF receptor subunit alpha; Short=CNTFR-alpha; Flags: " 95.41 372 100.00 100.00 1.67e-67 SP Q71DR4 "RecName: Full=Ciliary neurotrophic factor receptor subunit alpha; Short=CNTF receptor subunit alpha; Short=CNTFR-alpha; Flags: " 95.41 372 97.12 98.08 1.24e-64 TPG DAA26659 "TPA: ciliary neurotrophic factor receptor preproprotein-like [Bos taurus]" 95.41 372 99.04 100.00 1.12e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CNTFR 'E. coli' 562 Eubacteria . Escherichia coli 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 $CNTFR '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 $CNTFR 2 mM '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CNTFR 1.3 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Saveframe_category software _Name nmrpipe _Version 1.6 loop_ _Task processing assignment stop_ _Details . save_ save_pipp _Saveframe_category software _Name pipp _Version . loop_ _Task processing assignment stop_ _Details . save_ save_sparky _Saveframe_category software _Name sparky _Version 2.9 loop_ _Task processing assignment stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HACAN_1 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _Sample_label . save_ save_HACA(CO)N_2 _Saveframe_category NMR_applied_experiment _Experiment_name HACA(CO)N _Sample_label . save_ save_HACACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_3D_15N_separated_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N separated TOCSY' _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HACA(CO)N _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HACACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N separated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.5 0.3 n/a temperature 298 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 TSP H 1 'methyl protons' ppm 0.000 internal direct . internal parallel 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CNTFR subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY CA C 43.484 . . 2 . 1 GLY C C 169.183 . . 3 . 1 GLY HA2 H 3.818 . . 4 . 1 GLY HA3 H 3.474 . . 5 . 1 GLY H H 7.830 . . 6 . 1 GLY N N 108.580 . . 7 . 2 PRO CA C 63.484 . . 8 . 2 PRO CB C 32.602 . . 9 . 2 PRO CD C 49.830 . . 10 . 2 PRO CG C 27.130 . . 11 . 2 PRO C C 177.500 . . 12 . 2 PRO HA H 4.310 . . 13 . 2 PRO HB2 H 2.150 . . 14 . 2 PRO HB3 H 1.810 . . 15 . 2 PRO HD2 H 3.350 . . 16 . 2 PRO HD3 H 3.260 . . 17 . 2 PRO HG3 H 1.810 . . 18 . 2 PRO N N 134.250 . . 19 . 3 LEU CA C 55.710 . . 20 . 3 LEU CB C 42.300 . . 21 . 3 LEU CD1 C 25.110 . . 22 . 3 LEU CD2 C 23.720 . . 23 . 3 LEU CG C 23.000 . . 24 . 3 LEU C C 178.400 . . 25 . 3 LEU HA H 4.327 . . 26 . 3 LEU HB2 H 1.580 . . 27 . 3 LEU HD1 H 0.842 . . 28 . 3 LEU HD2 H 0.800 . . 29 . 3 LEU HG H 1.552 . . 30 . 3 LEU H H 8.420 . . 31 . 3 LEU N N 122.420 . . 32 . 4 GLY CA C 45.520 . . 33 . 4 GLY C C 174.840 . . 34 . 4 GLY HA2 H 3.950 . . 35 . 4 GLY HA3 H 3.860 . . 36 . 4 GLY H H 8.286 . . 37 . 4 GLY N N 109.892 . . 38 . 5 SER CA C 58.240 . . 39 . 5 SER CB C 64.060 . . 40 . 5 SER C C 174.900 . . 41 . 5 SER HA H 4.440 . . 42 . 5 SER HB2 H 3.764 . . 43 . 5 SER H H 8.100 . . 44 . 5 SER N N 116.103 . . 45 . 6 VAL CA C 62.550 . . 46 . 6 VAL CB C 33.290 . . 47 . 6 VAL CG1 C 21.060 . . 48 . 6 VAL CG2 C 21.060 . . 49 . 6 VAL C C 175.400 . . 50 . 6 VAL HA H 4.100 . . 51 . 6 VAL HB H 2.010 . . 52 . 6 VAL HG1 H 0.870 . . 53 . 6 VAL HG2 H 0.870 . . 54 . 6 VAL H H 8.094 . . 55 . 6 VAL N N 122.671 . . 56 . 7 LYS CA C 53.960 . . 57 . 7 LYS CB C 33.720 . . 58 . 7 LYS CD C 33.650 . . 59 . 7 LYS CE C 42.550 . . 60 . 7 LYS CG C 23.990 . . 61 . 7 LYS C C 175.587 . . 62 . 7 LYS HA H 4.684 . . 63 . 7 LYS HB2 H 1.670 . . 64 . 7 LYS HB3 H 1.570 . . 65 . 7 LYS HD2 H 1.670 . . 66 . 7 LYS HD3 H 1.570 . . 67 . 7 LYS HE2 H 3.010 . . 68 . 7 LYS HG2 H 1.260 . . 69 . 7 LYS H H 8.129 . . 70 . 7 LYS N N 124.992 . . 71 . 8 PRO CA C 62.530 . . 72 . 8 PRO CB C 31.237 . . 73 . 8 PRO CD C 50.860 . . 74 . 8 PRO CG C 27.480 . . 75 . 8 PRO C C 176.500 . . 76 . 8 PRO HA H 4.550 . . 77 . 8 PRO HB2 H 1.710 . . 78 . 8 PRO HD2 H 3.820 . . 79 . 8 PRO HD3 H 3.300 . . 80 . 8 PRO HG2 H 1.360 . . 81 . 8 PRO HG3 H 1.220 . . 82 . 8 PRO N N 140.490 . . 83 . 9 ASP CA C 54.150 . . 84 . 9 ASP CB C 40.040 . . 85 . 9 ASP C C 172.036 . . 86 . 9 ASP HA H 4.874 . . 87 . 9 ASP HB2 H 3.037 . . 88 . 9 ASP HB3 H 2.240 . . 89 . 9 ASP H H 8.498 . . 90 . 9 ASP N N 121.680 . . 91 . 10 PRO CA C 62.885 . . 92 . 10 PRO CB C 34.800 . . 93 . 10 PRO CD C 50.830 . . 94 . 10 PRO CG C 25.060 . . 95 . 10 PRO C C 176.670 . . 96 . 10 PRO HA H 4.480 . . 97 . 10 PRO HB2 H 2.335 . . 98 . 10 PRO HB3 H 2.090 . . 99 . 10 PRO HD3 H 3.524 . . 100 . 10 PRO HG2 H 1.880 . . 101 . 10 PRO HG3 H 1.750 . . 102 . 10 PRO N N 134.480 . . 103 . 11 PRO CA C 63.640 . . 104 . 11 PRO CB C 32.730 . . 105 . 11 PRO CD C 50.190 . . 106 . 11 PRO CG C 28.950 . . 107 . 11 PRO C C 174.200 . . 108 . 11 PRO HA H 4.340 . . 109 . 11 PRO HB2 H 2.210 . . 110 . 11 PRO HB3 H 1.380 . . 111 . 11 PRO HD2 H 3.940 . . 112 . 11 PRO HD3 H 3.520 . . 113 . 11 PRO HG2 H 1.640 . . 114 . 11 PRO HG3 H 1.540 . . 115 . 11 PRO N N 128.470 . . 116 . 12 GLU CA C 54.520 . . 117 . 12 GLU CB C 34.520 . . 118 . 12 GLU CG C 37.170 . . 119 . 12 GLU C C 175.700 . . 120 . 12 GLU HA H 4.651 . . 121 . 12 GLU HB2 H 2.090 . . 122 . 12 GLU HB3 H 1.719 . . 123 . 12 GLU HG2 H 2.440 . . 124 . 12 GLU HG3 H 2.360 . . 125 . 12 GLU H H 7.978 . . 126 . 12 GLU N N 118.400 . . 127 . 13 ASN CA C 54.440 . . 128 . 13 ASN CB C 37.430 . . 129 . 13 ASN C C 173.900 . . 130 . 13 ASN HA H 4.267 . . 131 . 13 ASN HB2 H 2.960 . . 132 . 13 ASN HB3 H 2.480 . . 133 . 13 ASN HD21 H 7.250 . . 134 . 13 ASN HD22 H 6.730 . . 135 . 13 ASN H H 8.995 . . 136 . 13 ASN N N 117.509 . . 137 . 13 ASN ND2 N 111.630 . . 138 . 14 VAL CA C 63.220 . . 139 . 14 VAL CB C 31.080 . . 140 . 14 VAL CG1 C 20.970 . . 141 . 14 VAL CG2 C 21.960 . . 142 . 14 VAL C C 177.200 . . 143 . 14 VAL HA H 4.700 . . 144 . 14 VAL HB H 2.080 . . 145 . 14 VAL HG1 H 0.979 . . 146 . 14 VAL HG2 H 0.792 . . 147 . 14 VAL H H 8.165 . . 148 . 14 VAL N N 118.699 . . 149 . 15 VAL CA C 61.920 . . 150 . 15 VAL CB C 36.040 . . 151 . 15 VAL CG1 C 21.550 . . 152 . 15 VAL CG2 C 18.250 . . 153 . 15 VAL C C 174.000 . . 154 . 15 VAL HA H 4.242 . . 155 . 15 VAL HB H 1.870 . . 156 . 15 VAL HG1 H 0.890 . . 157 . 15 VAL HG2 H 0.851 . . 158 . 15 VAL H H 9.217 . . 159 . 15 VAL N N 130.361 . . 160 . 16 ALA CA C 49.530 . . 161 . 16 ALA CB C 24.060 . . 162 . 16 ALA C C 175.900 . . 163 . 16 ALA HA H 5.625 . . 164 . 16 ALA HB H 1.012 . . 165 . 16 ALA H H 8.679 . . 166 . 16 ALA N N 127.774 . . 167 . 17 ARG CA C 52.800 . . 168 . 17 ARG CB C 33.200 . . 169 . 17 ARG CD C 43.750 . . 170 . 17 ARG CG C 27.570 . . 171 . 17 ARG C C 173.568 . . 172 . 17 ARG HA H 5.039 . . 173 . 17 ARG HB2 H 1.890 . . 174 . 17 ARG HB3 H 1.680 . . 175 . 17 ARG HD3 H 3.170 . . 176 . 17 ARG HG2 H 1.670 . . 177 . 17 ARG HG3 H 1.630 . . 178 . 17 ARG H H 8.980 . . 179 . 17 ARG N N 120.357 . . 180 . 18 PRO CA C 62.070 . . 181 . 18 PRO CB C 33.630 . . 182 . 18 PRO CD C 51.210 . . 183 . 18 PRO CG C 27.060 . . 184 . 18 PRO C C 175.900 . . 185 . 18 PRO HA H 4.750 . . 186 . 18 PRO HB2 H 2.760 . . 187 . 18 PRO HB3 H 2.020 . . 188 . 18 PRO HD3 H 3.780 . . 189 . 18 PRO HG2 H 2.280 . . 190 . 18 PRO HG3 H 2.045 . . 191 . 18 PRO N N 132.630 . . 192 . 19 VAL CA C 59.450 . . 193 . 19 VAL CB C 34.600 . . 194 . 19 VAL CG1 C 20.950 . . 195 . 19 VAL CG2 C 20.950 . . 196 . 19 VAL C C 173.244 . . 197 . 19 VAL HA H 4.360 . . 198 . 19 VAL HB H 1.820 . . 199 . 19 VAL HG1 H 0.770 . . 200 . 19 VAL HG2 H 0.770 . . 201 . 19 VAL H H 9.546 . . 202 . 19 VAL N N 122.652 . . 203 . 20 PRO CA C 63.883 . . 204 . 20 PRO CB C 31.870 . . 205 . 20 PRO CD C 51.380 . . 206 . 20 PRO CG C 27.750 . . 207 . 20 PRO C C 177.077 . . 208 . 20 PRO HA H 2.940 . . 209 . 20 PRO HB2 H 1.900 . . 210 . 20 PRO HB3 H 1.540 . . 211 . 20 PRO HD2 H 3.690 . . 212 . 20 PRO HD3 H 3.520 . . 213 . 20 PRO HG2 H 1.990 . . 214 . 20 PRO HG3 H 1.800 . . 215 . 20 PRO N N 138.870 . . 216 . 21 SER CA C 61.680 . . 217 . 21 SER CB C 61.468 . . 218 . 21 SER C C 173.300 . . 219 . 21 SER HA H 3.710 . . 220 . 21 SER HB2 H 3.620 . . 221 . 21 SER HB3 H 2.100 . . 222 . 21 SER H H 4.073 . . 223 . 21 SER N N 110.200 . . 224 . 22 ASN CA C 50.580 . . 225 . 22 ASN CB C 40.540 . . 226 . 22 ASN C C 173.810 . . 227 . 22 ASN HA H 5.243 . . 228 . 22 ASN HB2 H 2.630 . . 229 . 22 ASN HB3 H 2.440 . . 230 . 22 ASN HD21 H 7.220 . . 231 . 22 ASN HD22 H 6.900 . . 232 . 22 ASN H H 7.660 . . 233 . 22 ASN N N 118.650 . . 234 . 22 ASN ND2 N 113.680 . . 235 . 23 PRO CA C 64.670 . . 236 . 23 PRO CB C 34.020 . . 237 . 23 PRO CD C 51.870 . . 238 . 23 PRO CG C 27.290 . . 239 . 23 PRO C C 176.500 . . 240 . 23 PRO HA H 5.280 . . 241 . 23 PRO HB2 H 2.630 . . 242 . 23 PRO HB3 H 2.240 . . 243 . 23 PRO HD2 H 3.960 . . 244 . 23 PRO HD3 H 3.750 . . 245 . 23 PRO HG2 H 2.240 . . 246 . 23 PRO HG3 H 2.030 . . 247 . 23 PRO N N 135.170 . . 248 . 24 ARG CA C 55.470 . . 249 . 24 ARG CB C 30.960 . . 250 . 24 ARG CD C 43.700 . . 251 . 24 ARG CG C 27.380 . . 252 . 24 ARG C C 175.300 . . 253 . 24 ARG HA H 4.630 . . 254 . 24 ARG HB2 H 2.220 . . 255 . 24 ARG HD2 H 3.260 . . 256 . 24 ARG HD3 H 3.210 . . 257 . 24 ARG HG3 H 1.630 . . 258 . 24 ARG H H 8.101 . . 259 . 24 ARG N N 114.529 . . 260 . 25 ARG CA C 54.240 . . 261 . 25 ARG CB C 35.310 . . 262 . 25 ARG CD C 44.380 . . 263 . 25 ARG CG C 28.930 . . 264 . 25 ARG C C 176.900 . . 265 . 25 ARG HA H 5.470 . . 266 . 25 ARG HB2 H 1.580 . . 267 . 25 ARG HB3 H 1.460 . . 268 . 25 ARG HD2 H 2.920 . . 269 . 25 ARG HD3 H 2.830 . . 270 . 25 ARG HG2 H 1.580 . . 271 . 25 ARG HG3 H 1.270 . . 272 . 25 ARG H H 6.820 . . 273 . 25 ARG N N 116.720 . . 274 . 26 LEU CA C 54.240 . . 275 . 26 LEU CB C 48.100 . . 276 . 26 LEU CD1 C 23.620 . . 277 . 26 LEU CD2 C 26.140 . . 278 . 26 LEU CG C 26.880 . . 279 . 26 LEU C C 175.400 . . 280 . 26 LEU HA H 4.644 . . 281 . 26 LEU HB2 H 1.260 . . 282 . 26 LEU HB3 H 0.680 . . 283 . 26 LEU HD1 H 0.480 . . 284 . 26 LEU HD2 H 0.160 . . 285 . 26 LEU HG H 1.020 . . 286 . 26 LEU H H 8.392 . . 287 . 26 LEU N N 121.440 . . 288 . 27 GLU CA C 55.490 . . 289 . 27 GLU CB C 31.120 . . 290 . 27 GLU CG C 35.590 . . 291 . 27 GLU C C 176.500 . . 292 . 27 GLU HA H 4.820 . . 293 . 27 GLU HB2 H 1.890 . . 294 . 27 GLU HB3 H 1.670 . . 295 . 27 GLU HG3 H 2.020 . . 296 . 27 GLU H H 8.924 . . 297 . 27 GLU N N 122.652 . . 298 . 28 VAL CA C 61.030 . . 299 . 28 VAL CB C 34.350 . . 300 . 28 VAL CG1 C 22.530 . . 301 . 28 VAL CG2 C 21.670 . . 302 . 28 VAL C C 176.000 . . 303 . 28 VAL HA H 5.300 . . 304 . 28 VAL HB H 2.270 . . 305 . 28 VAL HG1 H 1.070 . . 306 . 28 VAL HG2 H 0.833 . . 307 . 28 VAL H H 9.081 . . 308 . 28 VAL N N 127.558 . . 309 . 29 THR CA C 60.770 . . 310 . 29 THR CB C 73.010 . . 311 . 29 THR CG2 C 22.070 . . 312 . 29 THR C C 173.600 . . 313 . 29 THR HA H 4.890 . . 314 . 29 THR HB H 4.210 . . 315 . 29 THR HG2 H 1.060 . . 316 . 29 THR H H 9.218 . . 317 . 29 THR N N 118.633 . . 318 . 30 TRP CA C 57.120 . . 319 . 30 TRP CB C 31.440 . . 320 . 30 TRP C C 173.700 . . 321 . 30 TRP HA H 5.028 . . 322 . 30 TRP HB2 H 3.490 . . 323 . 30 TRP HB3 H 2.830 . . 324 . 30 TRP HD1 H 6.130 . . 325 . 30 TRP HH2 H 6.480 . . 326 . 30 TRP H H 7.455 . . 327 . 30 TRP HZ3 H 6.950 . . 328 . 30 TRP N N 115.922 . . 329 . 31 GLN CA C 53.800 . . 330 . 31 GLN CB C 32.560 . . 331 . 31 GLN CG C 34.810 . . 332 . 31 GLN C C 177.000 . . 333 . 31 GLN HA H 4.879 . . 334 . 31 GLN HB2 H 2.170 . . 335 . 31 GLN HB3 H 1.850 . . 336 . 31 GLN HE21 H 7.690 . . 337 . 31 GLN HE22 H 6.920 . . 338 . 31 GLN HG2 H 2.460 . . 339 . 31 GLN HG3 H 2.320 . . 340 . 31 GLN H H 8.834 . . 341 . 31 GLN N N 115.197 . . 342 . 31 GLN NE2 N 112.940 . . 343 . 32 THR CA C 61.850 . . 344 . 32 THR CB C 69.350 . . 345 . 32 THR CG2 C 23.000 . . 346 . 32 THR C C 172.033 . . 347 . 32 THR HA H 4.280 . . 348 . 32 THR HB H 4.180 . . 349 . 32 THR HG2 H 1.510 . . 350 . 32 THR H H 8.575 . . 351 . 32 THR N N 118.922 . . 352 . 33 PRO CA C 63.180 . . 353 . 33 PRO CB C 32.240 . . 354 . 33 PRO CD C 50.760 . . 355 . 33 PRO CG C 27.920 . . 356 . 33 PRO C C 180.000 . . 357 . 33 PRO HA H 4.400 . . 358 . 33 PRO HB2 H 2.270 . . 359 . 33 PRO HB3 H 1.900 . . 360 . 33 PRO HD2 H 3.570 . . 361 . 33 PRO HD3 H 3.280 . . 362 . 33 PRO HG2 H 1.940 . . 363 . 33 PRO HG3 H 2.090 . . 364 . 33 PRO N N 138.870 . . 365 . 34 SER CA C 61.720 . . 366 . 34 SER CB C 63.069 . . 367 . 34 SER C C 175.600 . . 368 . 34 SER HA H 4.200 . . 369 . 34 SER HB2 H 4.070 . . 370 . 34 SER H H 9.210 . . 371 . 34 SER N N 121.540 . . 372 . 35 THR CA C 61.100 . . 373 . 35 THR CB C 69.490 . . 374 . 35 THR CG2 C 22.810 . . 375 . 35 THR C C 175.100 . . 376 . 35 THR HA H 4.165 . . 377 . 35 THR HB H 4.520 . . 378 . 35 THR HG2 H 1.280 . . 379 . 35 THR H H 7.397 . . 380 . 35 THR N N 107.696 . . 381 . 36 TRP CA C 54.690 . . 382 . 36 TRP CB C 30.340 . . 383 . 36 TRP CD1 C 126.150 . . 384 . 36 TRP CE3 C 121.000 . . 385 . 36 TRP CH2 C 124.990 . . 386 . 36 TRP C C 175.021 . . 387 . 36 TRP CZ2 C 121.940 . . 388 . 36 TRP CZ3 C 115.610 . . 389 . 36 TRP HA H 5.011 . . 390 . 36 TRP HB2 H 3.350 . . 391 . 36 TRP HB3 H 3.220 . . 392 . 36 TRP HD1 H 6.800 . . 393 . 36 TRP HE1 H 11.030 . . 394 . 36 TRP HE3 H 7.850 . . 395 . 36 TRP HH2 H 7.140 . . 396 . 36 TRP H H 7.667 . . 397 . 36 TRP HZ2 H 6.840 . . 398 . 36 TRP HZ3 H 7.450 . . 399 . 36 TRP N N 127.213 . . 400 . 36 TRP NE1 N 130.710 . . 401 . 37 PRO CA C 64.270 . . 402 . 37 PRO CB C 32.400 . . 403 . 37 PRO CD C 50.850 . . 404 . 37 PRO CG C 27.280 . . 405 . 37 PRO C C 176.300 . . 406 . 37 PRO HA H 4.220 . . 407 . 37 PRO HB2 H 2.050 . . 408 . 37 PRO HB3 H 1.670 . . 409 . 37 PRO HD2 H 3.580 . . 410 . 37 PRO HD3 H 2.440 . . 411 . 37 PRO HG2 H 1.530 . . 412 . 37 PRO HG3 H 1.380 . . 413 . 37 PRO N N 139.680 . . 414 . 38 ASP CA C 52.650 . . 415 . 38 ASP CB C 41.550 . . 416 . 38 ASP C C 174.456 . . 417 . 38 ASP HA H 4.863 . . 418 . 38 ASP HB2 H 2.990 . . 419 . 38 ASP HB3 H 2.550 . . 420 . 38 ASP H H 7.693 . . 421 . 38 ASP N N 114.017 . . 422 . 39 PRO CA C 64.370 . . 423 . 39 PRO CB C 32.550 . . 424 . 39 PRO CD C 51.160 . . 425 . 39 PRO CG C 27.660 . . 426 . 39 PRO C C 177.900 . . 427 . 39 PRO HA H 4.660 . . 428 . 39 PRO HB2 H 2.410 . . 429 . 39 PRO HB3 H 2.280 . . 430 . 39 PRO HD2 H 4.010 . . 431 . 39 PRO HD3 H 3.870 . . 432 . 39 PRO HG2 H 2.220 . . 433 . 39 PRO N N 136.790 . . 434 . 40 GLU CA C 58.930 . . 435 . 40 GLU CB C 29.680 . . 436 . 40 GLU CG C 36.980 . . 437 . 40 GLU C C 178.800 . . 438 . 40 GLU HA H 4.170 . . 439 . 40 GLU HB2 H 2.050 . . 440 . 40 GLU HG2 H 2.258 . . 441 . 40 GLU H H 8.200 . . 442 . 40 GLU N N 117.899 . . 443 . 41 SER CA C 60.210 . . 444 . 41 SER CB C 63.630 . . 445 . 41 SER C C 174.000 . . 446 . 41 SER HA H 4.165 . . 447 . 41 SER HB2 H 3.395 . . 448 . 41 SER HB3 H 3.136 . . 449 . 41 SER H H 7.635 . . 450 . 41 SER N N 114.409 . . 451 . 42 PHE CA C 55.480 . . 452 . 42 PHE CB C 39.230 . . 453 . 42 PHE C C 172.194 . . 454 . 42 PHE HA H 5.050 . . 455 . 42 PHE HB2 H 3.281 . . 456 . 42 PHE HB3 H 3.016 . . 457 . 42 PHE HD1 H 7.280 . . 458 . 42 PHE HE1 H 7.320 . . 459 . 42 PHE H H 7.781 . . 460 . 42 PHE HZ H 7.050 . . 461 . 42 PHE N N 119.651 . . 462 . 43 PRO CA C 63.740 . . 463 . 43 PRO CB C 32.780 . . 464 . 43 PRO CD C 50.720 . . 465 . 43 PRO CG C 27.760 . . 466 . 43 PRO C C 178.000 . . 467 . 43 PRO HA H 4.660 . . 468 . 43 PRO HB2 H 2.350 . . 469 . 43 PRO HB3 H 1.830 . . 470 . 43 PRO HD2 H 3.570 . . 471 . 43 PRO HD3 H 3.270 . . 472 . 43 PRO HG2 H 1.940 . . 473 . 43 PRO N N 136.790 . . 474 . 44 LEU CA C 53.550 . . 475 . 44 LEU CB C 44.640 . . 476 . 44 LEU CD1 C 26.170 . . 477 . 44 LEU CD2 C 22.890 . . 478 . 44 LEU CG C 26.830 . . 479 . 44 LEU C C 176.700 . . 480 . 44 LEU HA H 4.360 . . 481 . 44 LEU HB2 H 1.050 . . 482 . 44 LEU HB3 H 0.416 . . 483 . 44 LEU HD1 H 0.160 . . 484 . 44 LEU HD2 H -0.570 . . 485 . 44 LEU HG H 0.890 . . 486 . 44 LEU H H 8.061 . . 487 . 44 LEU N N 122.119 . . 488 . 45 LYS CA C 54.450 . . 489 . 45 LYS CB C 35.390 . . 490 . 45 LYS CD C 29.870 . . 491 . 45 LYS CE C 42.500 . . 492 . 45 LYS CG C 25.180 . . 493 . 45 LYS C C 175.600 . . 494 . 45 LYS HA H 4.423 . . 495 . 45 LYS HB2 H 1.610 . . 496 . 45 LYS HB3 H 1.480 . . 497 . 45 LYS HD2 H 1.540 . . 498 . 45 LYS HE2 H 2.880 . . 499 . 45 LYS HG2 H 1.280 . . 500 . 45 LYS HG3 H 1.190 . . 501 . 45 LYS H H 8.173 . . 502 . 45 LYS N N 119.478 . . 503 . 46 PHE CA C 57.410 . . 504 . 46 PHE CB C 43.210 . . 505 . 46 PHE C C 174.200 . . 506 . 46 PHE HA H 5.790 . . 507 . 46 PHE HB2 H 2.900 . . 508 . 46 PHE HB3 H 2.840 . . 509 . 46 PHE HD1 H 7.490 . . 510 . 46 PHE HE1 H 7.190 . . 511 . 46 PHE H H 8.311 . . 512 . 46 PHE HZ H 7.380 . . 513 . 46 PHE N N 117.881 . . 514 . 47 PHE CA C 55.180 . . 515 . 47 PHE CB C 42.330 . . 516 . 47 PHE C C 173.400 . . 517 . 47 PHE HA H 4.977 . . 518 . 47 PHE HB2 H 2.489 . . 519 . 47 PHE HB3 H 2.013 . . 520 . 47 PHE HD1 H 6.590 . . 521 . 47 PHE HE1 H 6.890 . . 522 . 47 PHE H H 8.630 . . 523 . 47 PHE HZ H 6.470 . . 524 . 47 PHE N N 122.281 . . 525 . 48 LEU CA C 54.130 . . 526 . 48 LEU CB C 46.720 . . 527 . 48 LEU CD1 C 27.760 . . 528 . 48 LEU CD2 C 27.390 . . 529 . 48 LEU CG C 27.760 . . 530 . 48 LEU C C 175.100 . . 531 . 48 LEU HA H 5.220 . . 532 . 48 LEU HB2 H 1.470 . . 533 . 48 LEU HB3 H 1.170 . . 534 . 48 LEU HD1 H 0.700 . . 535 . 48 LEU HD2 H 0.650 . . 536 . 48 LEU HG H 1.560 . . 537 . 48 LEU H H 9.000 . . 538 . 48 LEU N N 127.390 . . 539 . 49 ARG CA C 53.210 . . 540 . 49 ARG CB C 33.770 . . 541 . 49 ARG CD C 43.000 . . 542 . 49 ARG CG C 24.350 . . 543 . 49 ARG C C 174.100 . . 544 . 49 ARG HA H 5.838 . . 545 . 49 ARG HB2 H 0.810 . . 546 . 49 ARG HB3 H 0.750 . . 547 . 49 ARG HD2 H 0.580 . . 548 . 49 ARG HD3 H -0.140 . . 549 . 49 ARG HG2 H 0.640 . . 550 . 49 ARG HG3 H -0.030 . . 551 . 49 ARG H H 9.181 . . 552 . 49 ARG N N 122.705 . . 553 . 50 TYR CA C 55.750 . . 554 . 50 TYR CB C 43.230 . . 555 . 50 TYR C C 174.700 . . 556 . 50 TYR HA H 6.266 . . 557 . 50 TYR HB2 H 3.110 . . 558 . 50 TYR HB3 H 2.890 . . 559 . 50 TYR HD1 H 6.810 . . 560 . 50 TYR HE1 H 6.630 . . 561 . 50 TYR H H 8.898 . . 562 . 50 TYR N N 117.821 . . 563 . 51 ARG CA C 54.360 . . 564 . 51 ARG CB C 29.750 . . 565 . 51 ARG CD C 50.040 . . 566 . 51 ARG CG C 29.200 . . 567 . 51 ARG C C 171.952 . . 568 . 51 ARG HA H 4.854 . . 569 . 51 ARG HB2 H 2.260 . . 570 . 51 ARG HB3 H 1.660 . . 571 . 51 ARG HD2 H 4.020 . . 572 . 51 ARG HD3 H 3.540 . . 573 . 51 ARG HG2 H 2.060 . . 574 . 51 ARG HG3 H 1.870 . . 575 . 51 ARG H H 8.680 . . 576 . 51 ARG N N 116.350 . . 577 . 52 PRO CA C 61.350 . . 578 . 52 PRO CB C 30.990 . . 579 . 52 PRO CD C 50.200 . . 580 . 52 PRO CG C 27.240 . . 581 . 52 PRO C C 178.400 . . 582 . 52 PRO HA H 4.110 . . 583 . 52 PRO HB2 H 1.608 . . 584 . 52 PRO HB3 H 1.430 . . 585 . 52 PRO HD2 H 3.600 . . 586 . 52 PRO HD3 H 3.480 . . 587 . 52 PRO HG2 H 1.800 . . 588 . 52 PRO HG3 H 1.730 . . 589 . 52 PRO N N 135.870 . . 590 . 53 LEU CA C 57.890 . . 591 . 53 LEU CB C 42.280 . . 592 . 53 LEU CD1 C 25.320 . . 593 . 53 LEU CD2 C 24.340 . . 594 . 53 LEU CG C 27.710 . . 595 . 53 LEU C C 179.300 . . 596 . 53 LEU HA H 3.626 . . 597 . 53 LEU HB2 H 1.460 . . 598 . 53 LEU HB3 H 1.460 . . 599 . 53 LEU HD1 H 0.790 . . 600 . 53 LEU HD2 H 0.729 . . 601 . 53 LEU HG H 1.439 . . 602 . 53 LEU H H 8.465 . . 603 . 53 LEU N N 125.070 . . 604 . 54 ILE CA C 62.570 . . 605 . 54 ILE CB C 38.900 . . 606 . 54 ILE CD1 C 14.620 . . 607 . 54 ILE CG1 C 26.280 . . 608 . 54 ILE CG2 C 18.280 . . 609 . 54 ILE C C 176.000 . . 610 . 54 ILE HA H 3.971 . . 611 . 54 ILE HB H 1.995 . . 612 . 54 ILE HD1 H 0.740 . . 613 . 54 ILE HG12 H 1.108 . . 614 . 54 ILE HG13 H 1.160 . . 615 . 54 ILE HG2 H 0.881 . . 616 . 54 ILE H H 7.376 . . 617 . 54 ILE N N 107.382 . . 618 . 55 LEU CA C 53.670 . . 619 . 55 LEU CB C 44.990 . . 620 . 55 LEU CD1 C 25.320 . . 621 . 55 LEU CD2 C 23.560 . . 622 . 55 LEU CG C 27.720 . . 623 . 55 LEU C C 176.000 . . 624 . 55 LEU HA H 4.631 . . 625 . 55 LEU HB2 H 1.500 . . 626 . 55 LEU HB3 H 1.400 . . 627 . 55 LEU HD1 H 0.850 . . 628 . 55 LEU HD2 H 0.821 . . 629 . 55 LEU HG H 1.330 . . 630 . 55 LEU H H 7.569 . . 631 . 55 LEU N N 122.570 . . 632 . 56 ASP CA C 54.420 . . 633 . 56 ASP CB C 41.320 . . 634 . 56 ASP C C 176.400 . . 635 . 56 ASP HA H 4.188 . . 636 . 56 ASP HB2 H 2.470 . . 637 . 56 ASP HB3 H 2.420 . . 638 . 56 ASP H H 8.110 . . 639 . 56 ASP N N 119.470 . . 640 . 57 GLN CA C 55.190 . . 641 . 57 GLN CB C 30.560 . . 642 . 57 GLN CG C 33.810 . . 643 . 57 GLN C C 175.100 . . 644 . 57 GLN HA H 4.250 . . 645 . 57 GLN HB2 H 1.890 . . 646 . 57 GLN HB3 H 1.820 . . 647 . 57 GLN HE21 H 7.580 . . 648 . 57 GLN HE22 H 6.830 . . 649 . 57 GLN HG2 H 2.270 . . 650 . 57 GLN H H 6.912 . . 651 . 57 GLN N N 118.231 . . 652 . 57 GLN NE2 N 113.290 . . 653 . 58 TRP CA C 57.480 . . 654 . 58 TRP CB C 31.410 . . 655 . 58 TRP CD1 C 129.440 . . 656 . 58 TRP CH2 C 119.830 . . 657 . 58 TRP C C 177.300 . . 658 . 58 TRP CZ2 C 124.950 . . 659 . 58 TRP CZ3 C 122.640 . . 660 . 58 TRP HA H 4.190 . . 661 . 58 TRP HB2 H 2.720 . . 662 . 58 TRP HB3 H 2.460 . . 663 . 58 TRP HD1 H 7.280 . . 664 . 58 TRP HE1 H 10.130 . . 665 . 58 TRP HH2 H 6.970 . . 666 . 58 TRP H H 8.354 . . 667 . 58 TRP HZ2 H 6.760 . . 668 . 58 TRP HZ3 H 6.760 . . 669 . 58 TRP N N 123.363 . . 670 . 58 TRP NE1 N 131.060 . . 671 . 59 GLN CA C 55.250 . . 672 . 59 GLN CB C 30.500 . . 673 . 59 GLN CG C 34.980 . . 674 . 59 GLN C C 175.300 . . 675 . 59 GLN HA H 4.430 . . 676 . 59 GLN HB2 H 1.468 . . 677 . 59 GLN HB3 H 0.960 . . 678 . 59 GLN HE21 H 7.280 . . 679 . 59 GLN HE22 H 7.260 . . 680 . 59 GLN HG2 H 2.241 . . 681 . 59 GLN HG3 H 2.064 . . 682 . 59 GLN H H 8.630 . . 683 . 59 GLN N N 121.270 . . 684 . 59 GLN NE2 N 113.180 . . 685 . 60 HIS CA C 56.230 . . 686 . 60 HIS CB C 33.630 . . 687 . 60 HIS C C 176.300 . . 688 . 60 HIS HA H 5.492 . . 689 . 60 HIS HB2 H 3.040 . . 690 . 60 HIS HB3 H 2.880 . . 691 . 60 HIS HD2 H 6.380 . . 692 . 60 HIS HE1 H 6.520 . . 693 . 60 HIS H H 8.450 . . 694 . 60 HIS N N 119.920 . . 695 . 61 VAL CA C 61.720 . . 696 . 61 VAL CB C 36.000 . . 697 . 61 VAL CG1 C 21.620 . . 698 . 61 VAL CG2 C 21.340 . . 699 . 61 VAL C C 174.300 . . 700 . 61 VAL HA H 4.370 . . 701 . 61 VAL HB H 1.900 . . 702 . 61 VAL HG1 H 0.920 . . 703 . 61 VAL HG2 H 0.740 . . 704 . 61 VAL H H 9.240 . . 705 . 61 VAL N N 122.040 . . 706 . 62 GLU CA C 56.620 . . 707 . 62 GLU CB C 31.000 . . 708 . 62 GLU CG C 37.370 . . 709 . 62 GLU C C 176.000 . . 710 . 62 GLU HA H 4.520 . . 711 . 62 GLU HB2 H 2.050 . . 712 . 62 GLU HB3 H 1.970 . . 713 . 62 GLU HG3 H 2.135 . . 714 . 62 GLU H H 8.740 . . 715 . 62 GLU N N 128.212 . . 716 . 63 LEU CA C 54.160 . . 717 . 63 LEU CB C 43.560 . . 718 . 63 LEU CD1 C 27.630 . . 719 . 63 LEU CD2 C 24.500 . . 720 . 63 LEU CG C 27.710 . . 721 . 63 LEU C C 176.900 . . 722 . 63 LEU HA H 4.850 . . 723 . 63 LEU HB2 H 1.950 . . 724 . 63 LEU HB3 H 1.830 . . 725 . 63 LEU HD1 H 0.880 . . 726 . 63 LEU HD2 H 0.720 . . 727 . 63 LEU HG H 1.530 . . 728 . 63 LEU H H 8.349 . . 729 . 63 LEU N N 127.392 . . 730 . 64 SER CA C 57.880 . . 731 . 64 SER CB C 63.580 . . 732 . 64 SER C C 174.600 . . 733 . 64 SER HA H 4.736 . . 734 . 64 SER HB2 H 4.023 . . 735 . 64 SER H H 8.755 . . 736 . 64 SER N N 117.600 . . 737 . 65 ASN CA C 53.990 . . 738 . 65 ASN CB C 39.950 . . 739 . 65 ASN C C 175.800 . . 740 . 65 ASN HA H 5.180 . . 741 . 65 ASN HB2 H 3.030 . . 742 . 65 ASN HB3 H 2.973 . . 743 . 65 ASN HD21 H 7.650 . . 744 . 65 ASN HD22 H 6.990 . . 745 . 65 ASN H H 8.500 . . 746 . 65 ASN N N 118.416 . . 747 . 65 ASN ND2 N 112.870 . . 748 . 66 GLY CA C 45.520 . . 749 . 66 GLY C C 173.500 . . 750 . 66 GLY HA2 H 4.134 . . 751 . 66 GLY H H 8.294 . . 752 . 66 GLY N N 109.426 . . 753 . 67 THR CA C 59.190 . . 754 . 67 THR CB C 67.180 . . 755 . 67 THR CG2 C 21.250 . . 756 . 67 THR C C 172.000 . . 757 . 67 THR HA H 3.160 . . 758 . 67 THR HB H 3.860 . . 759 . 67 THR HG2 H 0.760 . . 760 . 67 THR H H 7.666 . . 761 . 67 THR N N 107.719 . . 762 . 68 ALA CA C 50.890 . . 763 . 68 ALA CB C 23.240 . . 764 . 68 ALA C C 177.100 . . 765 . 68 ALA HA H 4.537 . . 766 . 68 ALA HB H 1.079 . . 767 . 68 ALA H H 6.498 . . 768 . 68 ALA N N 119.832 . . 769 . 69 HIS CA C 57.360 . . 770 . 69 HIS CB C 35.850 . . 771 . 69 HIS C C 173.400 . . 772 . 69 HIS HA H 4.756 . . 773 . 69 HIS HB2 H 3.360 . . 774 . 69 HIS HB3 H 2.550 . . 775 . 69 HIS HD2 H 6.230 . . 776 . 69 HIS HE1 H 7.850 . . 777 . 69 HIS H H 9.042 . . 778 . 69 HIS N N 119.809 . . 779 . 70 THR CA C 61.530 . . 780 . 70 THR CB C 69.900 . . 781 . 70 THR CG2 C 22.090 . . 782 . 70 THR C C 173.800 . . 783 . 70 THR HA H 4.686 . . 784 . 70 THR HB H 3.528 . . 785 . 70 THR HG2 H 0.801 . . 786 . 70 THR H H 7.228 . . 787 . 70 THR N N 124.070 . . 788 . 71 ILE CA C 61.490 . . 789 . 71 ILE CB C 39.840 . . 790 . 71 ILE CD1 C 13.780 . . 791 . 71 ILE CG1 C 28.310 . . 792 . 71 ILE CG2 C 16.950 . . 793 . 71 ILE C C 177.100 . . 794 . 71 ILE HA H 3.880 . . 795 . 71 ILE HB H 1.370 . . 796 . 71 ILE HD1 H -0.050 . . 797 . 71 ILE HG12 H 0.260 . . 798 . 71 ILE HG13 H 1.310 . . 799 . 71 ILE HG2 H 0.520 . . 800 . 71 ILE H H 8.760 . . 801 . 71 ILE N N 128.212 . . 802 . 72 THR CA C 61.660 . . 803 . 72 THR CB C 69.720 . . 804 . 72 THR CG2 C 22.040 . . 805 . 72 THR C C 174.900 . . 806 . 72 THR HA H 4.480 . . 807 . 72 THR HB H 4.410 . . 808 . 72 THR HG2 H 0.924 . . 809 . 72 THR H H 8.568 . . 810 . 72 THR N N 114.987 . . 811 . 73 ASP CA C 52.370 . . 812 . 73 ASP CB C 40.400 . . 813 . 73 ASP C C 177.000 . . 814 . 73 ASP HA H 4.665 . . 815 . 73 ASP HB2 H 2.870 . . 816 . 73 ASP HB3 H 2.420 . . 817 . 73 ASP H H 8.053 . . 818 . 73 ASP N N 122.514 . . 819 . 74 ALA CA C 52.420 . . 820 . 74 ALA CB C 18.140 . . 821 . 74 ALA C C 177.700 . . 822 . 74 ALA HA H 3.999 . . 823 . 74 ALA HB H 0.600 . . 824 . 74 ALA H H 8.294 . . 825 . 74 ALA N N 124.833 . . 826 . 75 TYR CA C 57.990 . . 827 . 75 TYR CB C 38.580 . . 828 . 75 TYR C C 176.000 . . 829 . 75 TYR HA H 4.440 . . 830 . 75 TYR HB2 H 3.110 . . 831 . 75 TYR HB3 H 2.870 . . 832 . 75 TYR HD1 H 7.220 . . 833 . 75 TYR HE1 H 6.860 . . 834 . 75 TYR H H 9.042 . . 835 . 75 TYR N N 121.812 . . 836 . 76 ALA CA C 53.380 . . 837 . 76 ALA CB C 19.000 . . 838 . 76 ALA C C 180.900 . . 839 . 76 ALA HA H 4.136 . . 840 . 76 ALA HB H 1.368 . . 841 . 76 ALA H H 8.151 . . 842 . 76 ALA N N 125.343 . . 843 . 77 GLY CA C 46.330 . . 844 . 77 GLY C C 174.000 . . 845 . 77 GLY HA2 H 3.517 . . 846 . 77 GLY HA3 H 3.990 . . 847 . 77 GLY H H 8.704 . . 848 . 77 GLY N N 108.105 . . 849 . 78 LYS CA C 54.190 . . 850 . 78 LYS CB C 33.660 . . 851 . 78 LYS CD C 28.750 . . 852 . 78 LYS CE C 42.460 . . 853 . 78 LYS CG C 25.485 . . 854 . 78 LYS C C 174.300 . . 855 . 78 LYS HA H 4.599 . . 856 . 78 LYS HB2 H 1.970 . . 857 . 78 LYS HB3 H 1.830 . . 858 . 78 LYS HD2 H 1.480 . . 859 . 78 LYS HD3 H 1.540 . . 860 . 78 LYS HE2 H 2.920 . . 861 . 78 LYS HE3 H 2.830 . . 862 . 78 LYS HG2 H 1.360 . . 863 . 78 LYS HG3 H 1.290 . . 864 . 78 LYS H H 7.429 . . 865 . 78 LYS N N 119.523 . . 866 . 79 GLU CA C 57.230 . . 867 . 79 GLU CB C 30.780 . . 868 . 79 GLU C C 177.200 . . 869 . 79 GLU HA H 4.610 . . 870 . 79 GLU HB2 H 1.940 . . 871 . 79 GLU HB3 H 1.780 . . 872 . 79 GLU HG2 H 2.250 . . 873 . 79 GLU HG3 H 2.160 . . 874 . 79 GLU H H 7.942 . . 875 . 79 GLU N N 121.474 . . 876 . 80 TYR CA C 58.350 . . 877 . 80 TYR CB C 43.170 . . 878 . 80 TYR C C 175.200 . . 879 . 80 TYR HA H 4.875 . . 880 . 80 TYR HB2 H 3.045 . . 881 . 80 TYR HB3 H 2.410 . . 882 . 80 TYR HD1 H 7.273 . . 883 . 80 TYR HE1 H 7.050 . . 884 . 80 TYR H H 9.620 . . 885 . 80 TYR N N 128.303 . . 886 . 81 ILE CA C 59.640 . . 887 . 81 ILE CB C 41.600 . . 888 . 81 ILE CD1 C 13.950 . . 889 . 81 ILE CG1 C 29.040 . . 890 . 81 ILE CG2 C 16.650 . . 891 . 81 ILE C C 175.300 . . 892 . 81 ILE HA H 4.905 . . 893 . 81 ILE HB H 1.350 . . 894 . 81 ILE HD1 H 0.720 . . 895 . 81 ILE HG12 H 1.220 . . 896 . 81 ILE HG13 H 0.713 . . 897 . 81 ILE HG2 H 0.684 . . 898 . 81 ILE H H 8.599 . . 899 . 81 ILE N N 116.952 . . 900 . 82 ILE CA C 60.880 . . 901 . 82 ILE CB C 43.720 . . 902 . 82 ILE CD1 C 16.370 . . 903 . 82 ILE CG1 C 30.050 . . 904 . 82 ILE CG2 C 20.030 . . 905 . 82 ILE C C 176.300 . . 906 . 82 ILE HA H 5.200 . . 907 . 82 ILE HB H 1.510 . . 908 . 82 ILE HD1 H 0.630 . . 909 . 82 ILE HG12 H 1.580 . . 910 . 82 ILE HG13 H 0.975 . . 911 . 82 ILE HG2 H 0.820 . . 912 . 82 ILE H H 8.660 . . 913 . 82 ILE N N 125.950 . . 914 . 83 GLN CA C 55.040 . . 915 . 83 GLN CB C 37.440 . . 916 . 83 GLN CG C 37.410 . . 917 . 83 GLN C C 173.000 . . 918 . 83 GLN HA H 4.532 . . 919 . 83 GLN HB2 H 1.850 . . 920 . 83 GLN HB3 H 1.260 . . 921 . 83 GLN HE21 H 8.010 . . 922 . 83 GLN HE22 H 7.310 . . 923 . 83 GLN HG2 H 2.250 . . 924 . 83 GLN H H 9.130 . . 925 . 83 GLN N N 123.160 . . 926 . 83 GLN NE2 N 115.530 . . 927 . 84 VAL CA C 60.550 . . 928 . 84 VAL CB C 35.590 . . 929 . 84 VAL CG1 C 21.710 . . 930 . 84 VAL CG2 C 20.850 . . 931 . 84 VAL C C 174.200 . . 932 . 84 VAL HA H 5.200 . . 933 . 84 VAL HB H 1.030 . . 934 . 84 VAL HG1 H 0.130 . . 935 . 84 VAL HG2 H -0.143 . . 936 . 84 VAL H H 8.523 . . 937 . 84 VAL N N 119.392 . . 938 . 85 ALA CA C 50.780 . . 939 . 85 ALA CB C 21.800 . . 940 . 85 ALA C C 175.400 . . 941 . 85 ALA HA H 4.380 . . 942 . 85 ALA HB H 0.240 . . 943 . 85 ALA H H 9.345 . . 944 . 85 ALA N N 130.167 . . 945 . 86 ALA CA C 50.180 . . 946 . 86 ALA CB C 24.610 . . 947 . 86 ALA C C 175.500 . . 948 . 86 ALA HA H 5.412 . . 949 . 86 ALA HB H 1.066 . . 950 . 86 ALA H H 8.890 . . 951 . 86 ALA N N 122.100 . . 952 . 87 LYS CA C 54.710 . . 953 . 87 LYS CB C 36.140 . . 954 . 87 LYS CD C 29.480 . . 955 . 87 LYS CE C 42.040 . . 956 . 87 LYS CG C 23.620 . . 957 . 87 LYS C C 174.800 . . 958 . 87 LYS HA H 4.250 . . 959 . 87 LYS HB2 H 0.520 . . 960 . 87 LYS HB3 H 0.270 . . 961 . 87 LYS HD2 H 0.450 . . 962 . 87 LYS HD3 H 0.210 . . 963 . 87 LYS HE2 H 2.280 . . 964 . 87 LYS HG2 H 0.442 . . 965 . 87 LYS HG3 H 0.205 . . 966 . 87 LYS H H 8.582 . . 967 . 87 LYS N N 119.685 . . 968 . 88 ASP CA C 54.250 . . 969 . 88 ASP CB C 42.490 . . 970 . 88 ASP C C 176.900 . . 971 . 88 ASP HA H 4.340 . . 972 . 88 ASP HB2 H 2.770 . . 973 . 88 ASP HB3 H 2.530 . . 974 . 88 ASP H H 8.432 . . 975 . 88 ASP N N 124.181 . . 976 . 89 ASN CA C 55.600 . . 977 . 89 ASN CB C 40.280 . . 978 . 89 ASN C C 176.702 . . 979 . 89 ASN HA H 4.190 . . 980 . 89 ASN HB2 H 2.690 . . 981 . 89 ASN HB3 H 2.540 . . 982 . 89 ASN HD21 H 7.630 . . 983 . 89 ASN HD22 H 6.750 . . 984 . 89 ASN H H 8.310 . . 985 . 89 ASN N N 122.211 . . 986 . 89 ASN ND2 N 114.020 . . 987 . 90 GLU CA C 58.330 . . 988 . 90 GLU CB C 31.120 . . 989 . 90 GLU CG C 36.980 . . 990 . 90 GLU C C 177.800 . . 991 . 90 GLU HA H 4.220 . . 992 . 90 GLU HB2 H 2.060 . . 993 . 90 GLU HB3 H 2.060 . . 994 . 90 GLU HG2 H 2.240 . . 995 . 90 GLU HG3 H 2.240 . . 996 . 90 GLU H H 8.680 . . 997 . 90 GLU N N 118.840 . . 998 . 91 ILE CA C 61.080 . . 999 . 91 ILE CB C 39.520 . . 1000 . 91 ILE CD1 C 12.960 . . 1001 . 91 ILE CG1 C 27.660 . . 1002 . 91 ILE CG2 C 18.250 . . 1003 . 91 ILE C C 177.700 . . 1004 . 91 ILE HA H 4.280 . . 1005 . 91 ILE HB H 1.910 . . 1006 . 91 ILE HD1 H 0.790 . . 1007 . 91 ILE HG12 H 1.180 . . 1008 . 91 ILE HG13 H 1.370 . . 1009 . 91 ILE HG2 H 0.840 . . 1010 . 91 ILE H H 8.121 . . 1011 . 91 ILE N N 117.264 . . 1012 . 92 GLY CA C 45.950 . . 1013 . 92 GLY C C 174.400 . . 1014 . 92 GLY HA2 H 3.690 . . 1015 . 92 GLY HA3 H 4.040 . . 1016 . 92 GLY H H 8.152 . . 1017 . 92 GLY N N 109.162 . . 1018 . 93 THR CA C 60.750 . . 1019 . 93 THR CB C 70.620 . . 1020 . 93 THR CG2 C 22.110 . . 1021 . 93 THR C C 174.100 . . 1022 . 93 THR HA H 4.270 . . 1023 . 93 THR HB H 3.970 . . 1024 . 93 THR HG2 H 1.170 . . 1025 . 93 THR H H 7.686 . . 1026 . 93 THR N N 113.740 . . 1027 . 94 TRP CA C 57.627 . . 1028 . 94 TRP CB C 30.970 . . 1029 . 94 TRP C C 178.000 . . 1030 . 94 TRP HA H 4.495 . . 1031 . 94 TRP HB2 H 3.040 . . 1032 . 94 TRP HB3 H 2.660 . . 1033 . 94 TRP HD1 H 7.120 . . 1034 . 94 TRP HE1 H 9.620 . . 1035 . 94 TRP HE3 H 6.510 . . 1036 . 94 TRP HH2 H 6.430 . . 1037 . 94 TRP H H 8.010 . . 1038 . 94 TRP HZ2 H 6.610 . . 1039 . 94 TRP HZ3 H 6.930 . . 1040 . 94 TRP N N 123.280 . . 1041 . 94 TRP NE1 N 128.780 . . 1042 . 95 SER CA C 58.120 . . 1043 . 95 SER CB C 67.290 . . 1044 . 95 SER C C 174.400 . . 1045 . 95 SER HA H 4.280 . . 1046 . 95 SER HB2 H 3.920 . . 1047 . 95 SER HB3 H 3.550 . . 1048 . 95 SER H H 9.387 . . 1049 . 95 SER N N 116.487 . . 1050 . 96 ASP CA C 54.850 . . 1051 . 96 ASP CB C 41.110 . . 1052 . 96 ASP C C 177.500 . . 1053 . 96 ASP HA H 4.428 . . 1054 . 96 ASP HB2 H 2.830 . . 1055 . 96 ASP HB3 H 2.460 . . 1056 . 96 ASP H H 8.981 . . 1057 . 96 ASP N N 118.787 . . 1058 . 97 TRP CA C 58.470 . . 1059 . 97 TRP CB C 31.140 . . 1060 . 97 TRP C C 178.100 . . 1061 . 97 TRP HA H 4.185 . . 1062 . 97 TRP HB2 H 3.030 . . 1063 . 97 TRP HB3 H 2.800 . . 1064 . 97 TRP HD1 H 7.160 . . 1065 . 97 TRP HE1 H 9.770 . . 1066 . 97 TRP HE3 H 6.890 . . 1067 . 97 TRP HH2 H 6.260 . . 1068 . 97 TRP H H 8.299 . . 1069 . 97 TRP HZ2 H 6.750 . . 1070 . 97 TRP HZ3 H 6.970 . . 1071 . 97 TRP N N 121.814 . . 1072 . 97 TRP NE1 N 129.280 . . 1073 . 98 SER CA C 58.850 . . 1074 . 98 SER CB C 66.650 . . 1075 . 98 SER C C 174.400 . . 1076 . 98 SER HA H 4.250 . . 1077 . 98 SER HB2 H 4.110 . . 1078 . 98 SER H H 8.889 . . 1079 . 98 SER N N 115.640 . . 1080 . 99 VAL CA C 65.098 . . 1081 . 99 VAL CB C 32.240 . . 1082 . 99 VAL CG1 C 21.760 . . 1083 . 99 VAL CG2 C 21.760 . . 1084 . 99 VAL C C 179.200 . . 1085 . 99 VAL HA H 3.953 . . 1086 . 99 VAL HB H 2.065 . . 1087 . 99 VAL HG1 H 1.170 . . 1088 . 99 VAL HG2 H 1.190 . . 1089 . 99 VAL H H 8.347 . . 1090 . 99 VAL N N 121.221 . . 1091 . 100 ALA CA C 53.120 . . 1092 . 100 ALA CB C 19.850 . . 1093 . 100 ALA C C 177.700 . . 1094 . 100 ALA HA H 4.460 . . 1095 . 100 ALA HB H 1.330 . . 1096 . 100 ALA H H 8.942 . . 1097 . 100 ALA N N 132.186 . . 1098 . 101 ALA CA C 50.740 . . 1099 . 101 ALA CB C 21.600 . . 1100 . 101 ALA C C 176.700 . . 1101 . 101 ALA HA H 4.869 . . 1102 . 101 ALA HB H 1.360 . . 1103 . 101 ALA H H 8.949 . . 1104 . 101 ALA N N 125.400 . . 1105 . 102 HIS CA C 54.470 . . 1106 . 102 HIS CB C 32.230 . . 1107 . 102 HIS C C 176.100 . . 1108 . 102 HIS HA H 5.937 . . 1109 . 102 HIS HB2 H 3.230 . . 1110 . 102 HIS HB3 H 3.030 . . 1111 . 102 HIS HD2 H 6.880 . . 1112 . 102 HIS HE1 H 6.030 . . 1113 . 102 HIS H H 8.700 . . 1114 . 102 HIS N N 118.690 . . 1115 . 103 ALA CA C 52.940 . . 1116 . 103 ALA CB C 24.690 . . 1117 . 103 ALA C C 175.500 . . 1118 . 103 ALA HA H 4.644 . . 1119 . 103 ALA HB H 1.210 . . 1120 . 103 ALA H H 8.473 . . 1121 . 103 ALA N N 121.453 . . 1122 . 104 THR CA C 59.520 . . 1123 . 104 THR CB C 71.820 . . 1124 . 104 THR CG2 C 19.970 . . 1125 . 104 THR C C 172.598 . . 1126 . 104 THR HA H 5.238 . . 1127 . 104 THR HB H 3.813 . . 1128 . 104 THR HG2 H 1.163 . . 1129 . 104 THR H H 8.460 . . 1130 . 104 THR N N 118.840 . . 1131 . 105 PRO CA C 63.150 . . 1132 . 105 PRO CB C 32.430 . . 1133 . 105 PRO CD C 52.780 . . 1134 . 105 PRO CG C 28.100 . . 1135 . 105 PRO C C 175.100 . . 1136 . 105 PRO HA H 4.220 . . 1137 . 105 PRO HB2 H 2.150 . . 1138 . 105 PRO HB3 H 2.010 . . 1139 . 105 PRO HD2 H 4.060 . . 1140 . 105 PRO HD3 H 3.900 . . 1141 . 105 PRO HG2 H 1.460 . . 1142 . 105 PRO HG3 H 2.111 . . 1143 . 105 PRO N N 141.020 . . 1144 . 106 TRP CA C 59.499 . . 1145 . 106 TRP CB C 30.028 . . 1146 . 106 TRP C C 176.000 . . 1147 . 106 TRP HA H 4.150 . . 1148 . 106 TRP HB2 H 3.020 . . 1149 . 106 TRP HB3 H 2.940 . . 1150 . 106 TRP HD1 H 7.390 . . 1151 . 106 TRP HE1 H 10.480 . . 1152 . 106 TRP HE3 H 7.080 . . 1153 . 106 TRP HH2 H 7.260 . . 1154 . 106 TRP H H 9.075 . . 1155 . 106 TRP HZ2 H 7.000 . . 1156 . 106 TRP HZ3 H 7.560 . . 1157 . 106 TRP N N 122.249 . . 1158 . 106 TRP NE1 N 131.790 . . 1159 . 107 THR CA C 60.130 . . 1160 . 107 THR CB C 71.570 . . 1161 . 107 THR CG2 C 21.420 . . 1162 . 107 THR C C 172.700 . . 1163 . 107 THR HA H 4.025 . . 1164 . 107 THR HB H 3.856 . . 1165 . 107 THR HG2 H 1.020 . . 1166 . 107 THR H H 7.059 . . 1167 . 107 THR N N 118.286 . . 1168 . 108 GLU CA C 56.870 . . 1169 . 108 GLU CB C 30.640 . . 1170 . 108 GLU CG C 36.640 . . 1171 . 108 GLU C C 176.000 . . 1172 . 108 GLU HA H 3.628 . . 1173 . 108 GLU HB2 H 1.850 . . 1174 . 108 GLU HB3 H 1.750 . . 1175 . 108 GLU HG3 H 2.160 . . 1176 . 108 GLU H H 7.822 . . 1177 . 108 GLU N N 122.478 . . 1178 . 109 GLU CA C 58.230 . . 1179 . 109 GLU CB C 31.510 . . 1180 . 109 GLU CG C 36.940 . . 1181 . 109 GLU C C 171.548 . . 1182 . 109 GLU HA H 3.990 . . 1183 . 109 GLU HB2 H 1.950 . . 1184 . 109 GLU HB3 H 1.810 . . 1185 . 109 GLU HG2 H 2.130 . . 1186 . 109 GLU H H 7.814 . . 1187 . 109 GLU N N 127.723 . . stop_ save_