data_17245 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Chemokine CCL21 ; _BMRB_accession_number 17245 _BMRB_flat_file_name bmr17245.str _Entry_type original _Submission_date 2010-10-10 _Accession_date 2010-10-10 _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 Veldkamp C. T. . 2 Peterson F. C. . 3 Love M. . . 4 Sandberg J. L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 616 "13C chemical shifts" 441 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-03 original author . stop_ _Original_release_date 2012-02-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of CCL21 and Identification of a Putative CCR7 Binding Site.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22221265 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Love Melissa . . 2 Sandberg Jamie L. . 3 Ziarek Joshua J. . 4 Gerarden Kyle P. . 5 Rode Renee R. . 6 Jensen Davin R. . 7 McCaslin Darrell R. . 8 Peterson Francis C. . 9 Veldkamp Christopher T. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 733 _Page_last 735 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CCL21_SLC_6Ckine_Exodus-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CCL21_SLC_6Ckine_Exodus-2 $CCL21_SLC_6Ckine_Exodus-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CCL21_SLC_6Ckine_Exodus-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CCL21_SLC_6Ckine_Exodus-2 _Molecular_mass 12519.708 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; SDGGAQDCCLKYSQRKIPAK VVRSYRKQEPSLGCSIPAIL FLPRKRSQAELCADPKELWV QQLMQHLDKTPSPQKPAQGC RKDRGASKTGKKGKGSKGCK RTERSQTPKGPKL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 GLY 4 GLY 5 ALA 6 GLN 7 ASP 8 CYS 9 CYS 10 LEU 11 LYS 12 TYR 13 SER 14 GLN 15 ARG 16 LYS 17 ILE 18 PRO 19 ALA 20 LYS 21 VAL 22 VAL 23 ARG 24 SER 25 TYR 26 ARG 27 LYS 28 GLN 29 GLU 30 PRO 31 SER 32 LEU 33 GLY 34 CYS 35 SER 36 ILE 37 PRO 38 ALA 39 ILE 40 LEU 41 PHE 42 LEU 43 PRO 44 ARG 45 LYS 46 ARG 47 SER 48 GLN 49 ALA 50 GLU 51 LEU 52 CYS 53 ALA 54 ASP 55 PRO 56 LYS 57 GLU 58 LEU 59 TRP 60 VAL 61 GLN 62 GLN 63 LEU 64 MET 65 GLN 66 HIS 67 LEU 68 ASP 69 LYS 70 THR 71 PRO 72 SER 73 PRO 74 GLN 75 LYS 76 PRO 77 ALA 78 GLN 79 GLY 80 CYS 81 ARG 82 LYS 83 ASP 84 ARG 85 GLY 86 ALA 87 SER 88 LYS 89 THR 90 GLY 91 LYS 92 LYS 93 GLY 94 LYS 95 GLY 96 SER 97 LYS 98 GLY 99 CYS 100 LYS 101 ARG 102 THR 103 GLU 104 ARG 105 SER 106 GLN 107 THR 108 PRO 109 LYS 110 GLY 111 PRO 112 LYS 113 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2L4N "Solution Structure Of The Chemokine Ccl21" 100.00 113 100.00 100.00 3.23e-73 DBJ BAA21817 "CC chemokine ligand 21 [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 DBJ BAG34842 "unnamed protein product [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 DBJ BAG72999 "chemokine (C-C motif) ligand 21 [synthetic construct]" 98.23 134 100.00 100.00 3.49e-72 EMBL CAA06653 "secondary lymphoid tissue chemokine [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 EMBL CAG29322 "CCL21 [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 GB AAB86594 "beta chemokine [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 GB AAB91454 "beta chemokine Exodus-2 [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 GB AAH27918 "Chemokine (C-C motif) ligand 21 [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 GB AAQ13417 "Efficient Chemoattractant for Lymphocytes [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 GB AAQ89246 "SLC chemokine [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 REF NP_002980 "C-C motif chemokine 21 precursor [Homo sapiens]" 98.23 134 100.00 100.00 3.49e-72 REF XP_001164162 "PREDICTED: C-C motif chemokine 21 isoform X2 [Pan troglodytes]" 98.23 134 100.00 100.00 3.49e-72 REF XP_003263432 "PREDICTED: C-C motif chemokine 21 [Nomascus leucogenys]" 98.23 134 99.10 99.10 2.65e-71 REF XP_003829862 "PREDICTED: C-C motif chemokine 21 [Pan paniscus]" 98.23 134 100.00 100.00 3.49e-72 REF XP_004048021 "PREDICTED: c-C motif chemokine 21 [Gorilla gorilla gorilla]" 98.23 134 99.10 99.10 1.42e-71 SP O00585 "RecName: Full=C-C motif chemokine 21; AltName: Full=6Ckine; AltName: Full=Beta-chemokine exodus-2; AltName: Full=Secondary lymp" 98.23 134 100.00 100.00 3.49e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CCL21_SLC_6Ckine_Exodus-2 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 _Details $CCL21_SLC_6Ckine_Exodus-2 'recombinant technology' . Escherichia coli . pQE30-8HT-SMT3 'pQE30 plasmid from Qiagen, contains an 8X His tag, TEV protease sight and SMT3(SUMO) immediately before the MCS.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.500 mM CCL21 U-15N/13C, 25 mM MES(d13), 0.02% Sodium Azide (w/v)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL21_SLC_6Ckine_Exodus-2 0.500 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' MES 25 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version . loop_ _Vendor _Address _Electronic_address 'Bartels, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 21 . mM pH 6.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CCL21_SLC_6Ckine_Exodus-2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.639 0.02 1 2 2 2 ASP HB2 H 2.752 0.02 2 3 2 2 ASP HB3 H 2.729 0.02 2 4 2 2 ASP C C 176.556 0.1 1 5 2 2 ASP CA C 54.780 0.1 1 6 2 2 ASP CB C 41.640 0.1 1 7 3 3 GLY H H 8.542 0.02 1 8 3 3 GLY HA2 H 4.024 0.02 1 9 3 3 GLY HA3 H 4.024 0.02 1 10 3 3 GLY C C 174.790 0.1 1 11 3 3 GLY CA C 45.697 0.1 1 12 3 3 GLY N N 109.730 0.1 1 13 4 4 GLY H H 8.331 0.02 1 14 4 4 GLY HA2 H 4.024 0.02 1 15 4 4 GLY HA3 H 4.024 0.02 1 16 4 4 GLY C C 174.060 0.1 1 17 4 4 GLY CA C 45.292 0.1 1 18 4 4 GLY N N 108.897 0.1 1 19 5 5 ALA H H 8.239 0.02 1 20 5 5 ALA HA H 4.373 0.02 1 21 5 5 ALA HB H 1.428 0.02 1 22 5 5 ALA C C 177.840 0.1 1 23 5 5 ALA CA C 52.794 0.1 1 24 5 5 ALA CB C 19.474 0.1 1 25 5 5 ALA N N 123.864 0.1 1 26 6 6 GLN H H 8.444 0.02 1 27 6 6 GLN HA H 4.392 0.02 1 28 6 6 GLN HB2 H 2.107 0.02 1 29 6 6 GLN HB3 H 2.107 0.02 1 30 6 6 GLN HG2 H 2.409 0.02 1 31 6 6 GLN HG3 H 2.409 0.02 1 32 6 6 GLN C C 175.637 0.1 1 33 6 6 GLN CA C 55.943 0.1 1 34 6 6 GLN CB C 29.873 0.1 1 35 6 6 GLN CG C 33.887 0.1 1 36 6 6 GLN N N 119.343 0.1 1 37 7 7 ASP H H 8.382 0.02 1 38 7 7 ASP HA H 4.640 0.02 1 39 7 7 ASP HB2 H 2.701 0.02 2 40 7 7 ASP HB3 H 2.632 0.02 2 41 7 7 ASP C C 175.841 0.1 1 42 7 7 ASP CA C 54.375 0.1 1 43 7 7 ASP CB C 41.221 0.1 1 44 7 7 ASP N N 121.635 0.1 1 45 8 8 CYS H H 8.164 0.02 1 46 8 8 CYS HA H 4.528 0.02 1 47 8 8 CYS HB2 H 2.962 0.02 2 48 8 8 CYS HB3 H 2.871 0.02 2 49 8 8 CYS C C 174.498 0.1 1 50 8 8 CYS CA C 55.159 0.1 1 51 8 8 CYS CB C 40.728 0.1 1 52 8 8 CYS N N 119.188 0.1 1 53 9 9 CYS H H 10.017 0.02 1 54 9 9 CYS HA H 4.501 0.02 1 55 9 9 CYS HB2 H 3.257 0.02 2 56 9 9 CYS HB3 H 2.876 0.02 2 57 9 9 CYS C C 174.279 0.1 1 58 9 9 CYS CA C 55.741 0.1 1 59 9 9 CYS CB C 40.774 0.1 1 60 9 9 CYS N N 126.400 0.1 1 61 10 10 LEU H H 8.870 0.02 1 62 10 10 LEU HA H 4.392 0.02 1 63 10 10 LEU HB2 H 1.589 0.02 1 64 10 10 LEU HB3 H 1.589 0.02 1 65 10 10 LEU HD1 H 0.926 0.02 2 66 10 10 LEU HD2 H 0.852 0.02 2 67 10 10 LEU HG H 1.618 0.02 1 68 10 10 LEU C C 175.958 0.1 1 69 10 10 LEU CA C 55.083 0.1 1 70 10 10 LEU CB C 44.468 0.1 1 71 10 10 LEU CD1 C 25.367 0.1 1 72 10 10 LEU CD2 C 23.425 0.1 1 73 10 10 LEU CG C 26.954 0.1 1 74 10 10 LEU N N 125.247 0.1 1 75 11 11 LYS H H 7.375 0.02 1 76 11 11 LYS HA H 4.024 0.02 1 77 11 11 LYS HB2 H 1.736 0.02 1 78 11 11 LYS HB3 H 1.736 0.02 1 79 11 11 LYS HD2 H 1.703 0.02 1 80 11 11 LYS HD3 H 1.703 0.02 1 81 11 11 LYS HE2 H 3.022 0.02 1 82 11 11 LYS HE3 H 3.022 0.02 1 83 11 11 LYS HG2 H 1.340 0.02 1 84 11 11 LYS HG3 H 1.340 0.02 1 85 11 11 LYS C C 174.367 0.1 1 86 11 11 LYS CA C 54.767 0.1 1 87 11 11 LYS CB C 35.437 0.1 1 88 11 11 LYS CD C 29.508 0.1 1 89 11 11 LYS CE C 42.644 0.1 1 90 11 11 LYS CG C 24.073 0.1 1 91 11 11 LYS N N 118.898 0.1 1 92 12 12 TYR H H 8.244 0.02 1 93 12 12 TYR HA H 4.684 0.02 1 94 12 12 TYR HB2 H 3.414 0.02 2 95 12 12 TYR HB3 H 2.871 0.02 2 96 12 12 TYR HD1 H 7.075 0.02 1 97 12 12 TYR HD2 H 7.075 0.02 1 98 12 12 TYR HE1 H 6.944 0.02 1 99 12 12 TYR HE2 H 6.944 0.02 1 100 12 12 TYR C C 177.300 0.1 1 101 12 12 TYR CA C 56.070 0.1 1 102 12 12 TYR CB C 39.360 0.1 1 103 12 12 TYR CD1 C 132.824 0.1 1 104 12 12 TYR CE1 C 119.623 0.1 1 105 12 12 TYR N N 123.359 0.1 1 106 13 13 SER H H 8.987 0.02 1 107 13 13 SER HA H 4.311 0.02 1 108 13 13 SER HB2 H 4.660 0.02 1 109 13 13 SER HB3 H 4.660 0.02 1 110 13 13 SER C C 176.031 0.1 1 111 13 13 SER CA C 59.270 0.1 1 112 13 13 SER CB C 64.126 0.1 1 113 13 13 SER N N 116.683 0.1 1 114 14 14 GLN H H 9.004 0.02 1 115 14 14 GLN HA H 4.622 0.02 1 116 14 14 GLN HB2 H 2.417 0.02 2 117 14 14 GLN HB3 H 2.065 0.02 2 118 14 14 GLN HG2 H 2.595 0.02 1 119 14 14 GLN HG3 H 2.595 0.02 1 120 14 14 GLN C C 175.812 0.1 1 121 14 14 GLN CA C 56.525 0.1 1 122 14 14 GLN CB C 29.690 0.1 1 123 14 14 GLN CG C 34.343 0.1 1 124 14 14 GLN N N 125.359 0.1 1 125 15 15 ARG H H 7.831 0.02 1 126 15 15 ARG HA H 4.307 0.02 1 127 15 15 ARG HB2 H 1.736 0.02 1 128 15 15 ARG HB3 H 1.736 0.02 1 129 15 15 ARG HD2 H 3.274 0.02 1 130 15 15 ARG HD3 H 3.274 0.02 1 131 15 15 ARG HG2 H 1.591 0.02 1 132 15 15 ARG HG3 H 1.591 0.02 1 133 15 15 ARG C C 174.659 0.1 1 134 15 15 ARG CA C 55.210 0.1 1 135 15 15 ARG CB C 31.697 0.1 1 136 15 15 ARG CD C 43.830 0.1 1 137 15 15 ARG CG C 27.136 0.1 1 138 15 15 ARG N N 119.455 0.1 1 139 16 16 LYS H H 7.838 0.02 1 140 16 16 LYS HA H 4.363 0.02 1 141 16 16 LYS HB2 H 1.859 0.02 1 142 16 16 LYS HB3 H 1.859 0.02 1 143 16 16 LYS HD2 H 1.753 0.02 1 144 16 16 LYS HD3 H 1.753 0.02 1 145 16 16 LYS HE2 H 3.055 0.02 1 146 16 16 LYS HE3 H 3.055 0.02 1 147 16 16 LYS HG2 H 1.509 0.02 1 148 16 16 LYS HG3 H 1.509 0.02 1 149 16 16 LYS C C 175.461 0.1 1 150 16 16 LYS CA C 56.399 0.1 1 151 16 16 LYS CB C 32.974 0.1 1 152 16 16 LYS CD C 29.326 0.1 1 153 16 16 LYS CE C 42.826 0.1 1 154 16 16 LYS CG C 25.038 0.1 1 155 16 16 LYS N N 121.986 0.1 1 156 17 17 ILE H H 7.932 0.02 1 157 17 17 ILE CA C 56.702 0.1 1 158 17 17 ILE CB C 43.738 0.1 1 159 17 17 ILE N N 130.417 0.1 1 160 18 18 PRO HA H 4.394 0.02 1 161 18 18 PRO HB2 H 2.441 0.02 2 162 18 18 PRO HB3 H 2.331 0.02 2 163 18 18 PRO HD2 H 4.078 0.02 1 164 18 18 PRO HD3 H 4.078 0.02 1 165 18 18 PRO HG2 H 2.051 0.02 2 166 18 18 PRO HG3 H 1.949 0.02 2 167 18 18 PRO C C 177.067 0.1 1 168 18 18 PRO CA C 61.939 0.1 1 169 18 18 PRO CB C 32.974 0.1 1 170 18 18 PRO CG C 27.501 0.1 1 171 19 19 ALA H H 8.399 0.02 1 172 19 19 ALA HA H 3.820 0.02 1 173 19 19 ALA HB H 1.184 0.02 1 174 19 19 ALA C C 179.781 0.1 1 175 19 19 ALA CA C 55.412 0.1 1 176 19 19 ALA CB C 17.923 0.1 1 177 19 19 ALA N N 123.950 0.1 1 178 20 20 LYS H H 8.056 0.02 1 179 20 20 LYS HA H 4.219 0.02 1 180 20 20 LYS HB2 H 1.967 0.02 1 181 20 20 LYS HB3 H 1.967 0.02 1 182 20 20 LYS HD2 H 1.709 0.02 1 183 20 20 LYS HD3 H 1.709 0.02 1 184 20 20 LYS HE2 H 2.989 0.02 1 185 20 20 LYS HE3 H 2.989 0.02 1 186 20 20 LYS HG2 H 1.396 0.02 1 187 20 20 LYS HG3 H 1.396 0.02 1 188 20 20 LYS C C 177.388 0.1 1 189 20 20 LYS CA C 58.334 0.1 1 190 20 20 LYS CB C 32.336 0.1 1 191 20 20 LYS CD C 29.690 0.1 1 192 20 20 LYS CE C 42.191 0.1 1 193 20 20 LYS CG C 24.947 0.1 1 194 20 20 LYS N N 111.226 0.1 1 195 21 21 VAL H H 7.436 0.02 1 196 21 21 VAL HA H 4.391 0.02 1 197 21 21 VAL HB H 2.452 0.02 1 198 21 21 VAL HG1 H 1.005 0.02 2 199 21 21 VAL HG2 H 1.077 0.02 2 200 21 21 VAL C C 176.862 0.1 1 201 21 21 VAL CA C 62.534 0.1 1 202 21 21 VAL CB C 32.655 0.1 1 203 21 21 VAL CG1 C 21.389 0.1 1 204 21 21 VAL CG2 C 21.161 0.1 1 205 21 21 VAL N N 112.139 0.1 1 206 22 22 VAL H H 7.715 0.02 1 207 22 22 VAL HA H 4.857 0.02 1 208 22 22 VAL HB H 2.286 0.02 1 209 22 22 VAL HG1 H 0.955 0.02 2 210 22 22 VAL HG2 H 0.925 0.02 2 211 22 22 VAL C C 174.090 0.1 1 212 22 22 VAL CA C 61.054 0.1 1 213 22 22 VAL CB C 35.073 0.1 1 214 22 22 VAL CG1 C 24.073 0.1 1 215 22 22 VAL CG2 C 20.837 0.1 1 216 22 22 VAL N N 115.844 0.1 1 217 23 23 ARG H H 9.306 0.02 1 218 23 23 ARG HA H 4.783 0.02 1 219 23 23 ARG HB2 H 1.867 0.02 2 220 23 23 ARG HB3 H 1.651 0.02 2 221 23 23 ARG HD2 H 3.270 0.02 1 222 23 23 ARG HD3 H 3.270 0.02 1 223 23 23 ARG HG2 H 1.600 0.02 1 224 23 23 ARG HG3 H 1.600 0.02 1 225 23 23 ARG C C 175.301 0.1 1 226 23 23 ARG CA C 56.108 0.1 1 227 23 23 ARG CB C 33.455 0.1 1 228 23 23 ARG CD C 43.485 0.1 1 229 23 23 ARG CG C 26.661 0.1 1 230 23 23 ARG N N 118.099 0.1 1 231 24 24 SER H H 7.796 0.02 1 232 24 24 SER HA H 4.814 0.02 1 233 24 24 SER HB2 H 4.086 0.02 2 234 24 24 SER HB3 H 3.993 0.02 2 235 24 24 SER C C 172.324 0.1 1 236 24 24 SER CA C 58.031 0.1 1 237 24 24 SER CB C 63.898 0.1 1 238 24 24 SER N N 111.289 0.1 1 239 25 25 TYR H H 8.638 0.02 1 240 25 25 TYR HA H 5.832 0.02 1 241 25 25 TYR HB2 H 2.415 0.02 2 242 25 25 TYR HB3 H 2.778 0.02 2 243 25 25 TYR HD1 H 6.725 0.02 1 244 25 25 TYR HD2 H 6.725 0.02 1 245 25 25 TYR HE1 H 6.830 0.02 1 246 25 25 TYR HE2 H 6.830 0.02 1 247 25 25 TYR C C 172.718 0.1 1 248 25 25 TYR CA C 56.373 0.1 1 249 25 25 TYR CB C 42.917 0.1 1 250 25 25 TYR CD1 C 132.565 0.1 1 251 25 25 TYR CE1 C 118.847 0.1 1 252 25 25 TYR N N 116.776 0.1 1 253 26 26 ARG H H 9.006 0.02 1 254 26 26 ARG HA H 4.668 0.02 1 255 26 26 ARG HB2 H 1.916 0.02 2 256 26 26 ARG HB3 H 1.749 0.02 2 257 26 26 ARG HD2 H 3.258 0.02 2 258 26 26 ARG HD3 H 3.046 0.02 2 259 26 26 ARG HG2 H 1.508 0.02 1 260 26 26 ARG HG3 H 1.508 0.02 1 261 26 26 ARG C C 173.754 0.1 1 262 26 26 ARG CA C 54.147 0.1 1 263 26 26 ARG CB C 33.704 0.1 1 264 26 26 ARG CD C 43.647 0.1 1 265 26 26 ARG CG C 27.501 0.1 1 266 26 26 ARG N N 117.893 0.1 1 267 27 27 LYS H H 8.966 0.02 1 268 27 27 LYS HA H 4.848 0.02 1 269 27 27 LYS HB2 H 1.907 0.02 2 270 27 27 LYS HB3 H 1.800 0.02 2 271 27 27 LYS HD2 H 1.791 0.02 2 272 27 27 LYS HD3 H 1.347 0.02 2 273 27 27 LYS HE2 H 2.983 0.02 1 274 27 27 LYS HE3 H 2.983 0.02 1 275 27 27 LYS HG2 H 1.575 0.02 2 276 27 27 LYS HG3 H 1.347 0.02 2 277 27 27 LYS C C 175.695 0.1 1 278 27 27 LYS CA C 56.323 0.1 1 279 27 27 LYS CB C 34.251 0.1 1 280 27 27 LYS CD C 29.690 0.1 1 281 27 27 LYS CE C 42.461 0.1 1 282 27 27 LYS CG C 25.859 0.1 1 283 27 27 LYS N N 120.739 0.1 1 284 28 28 GLN H H 9.025 0.02 1 285 28 28 GLN HA H 4.698 0.02 1 286 28 28 GLN HB2 H 2.042 0.02 1 287 28 28 GLN HB3 H 2.042 0.02 1 288 28 28 GLN HG2 H 2.295 0.02 2 289 28 28 GLN HG3 H 2.235 0.02 2 290 28 28 GLN C C 174.790 0.1 1 291 28 28 GLN CA C 55.109 0.1 1 292 28 28 GLN CB C 31.697 0.1 1 293 28 28 GLN CG C 34.890 0.1 1 294 28 28 GLN N N 125.996 0.1 1 295 29 29 GLU H H 8.694 0.02 1 296 29 29 GLU CA C 53.236 0.1 1 297 29 29 GLU CB C 30.785 0.1 1 298 29 29 GLU N N 128.410 0.1 1 299 30 30 PRO HA H 4.599 0.02 1 300 30 30 PRO HB2 H 2.106 0.02 2 301 30 30 PRO HB3 H 1.983 0.02 2 302 30 30 PRO HD2 H 4.077 0.02 1 303 30 30 PRO HD3 H 4.077 0.02 1 304 30 30 PRO HG2 H 2.183 0.02 2 305 30 30 PRO HG3 H 1.698 0.02 2 306 30 30 PRO C C 176.789 0.1 1 307 30 30 PRO CA C 63.862 0.1 1 308 30 30 PRO CB C 31.971 0.1 1 309 30 30 PRO CD C 50.927 0.1 1 310 30 30 PRO CG C 27.775 0.1 1 311 31 31 SER H H 8.627 0.02 1 312 31 31 SER HA H 4.527 0.02 1 313 31 31 SER HB2 H 4.020 0.02 2 314 31 31 SER HB3 H 3.932 0.02 2 315 31 31 SER C C 175.111 0.1 1 316 31 31 SER CA C 58.663 0.1 1 317 31 31 SER CB C 64.628 0.1 1 318 31 31 SER N N 116.024 0.1 1 319 32 32 LEU H H 8.275 0.02 1 320 32 32 LEU HA H 4.291 0.02 1 321 32 32 LEU HB2 H 1.777 0.02 1 322 32 32 LEU HB3 H 1.777 0.02 1 323 32 32 LEU HD1 H 0.970 0.02 2 324 32 32 LEU HD2 H 0.923 0.02 2 325 32 32 LEU HG H 1.733 0.02 1 326 32 32 LEU C C 178.147 0.1 1 327 32 32 LEU CA C 56.652 0.1 1 328 32 32 LEU CB C 41.777 0.1 1 329 32 32 LEU CD1 C 25.221 0.1 1 330 32 32 LEU CD2 C 23.800 0.1 1 331 32 32 LEU CG C 27.227 0.1 1 332 32 32 LEU N N 121.390 0.1 1 333 33 33 GLY H H 8.276 0.02 1 334 33 33 GLY HA2 H 4.198 0.02 2 335 33 33 GLY HA3 H 3.844 0.02 2 336 33 33 GLY C C 174.250 0.1 1 337 33 33 GLY CA C 45.697 0.1 1 338 33 33 GLY N N 107.745 0.1 1 339 34 34 CYS H H 7.911 0.02 1 340 34 34 CYS HA H 4.990 0.02 1 341 34 34 CYS HB2 H 3.296 0.02 2 342 34 34 CYS HB3 H 2.781 0.02 2 343 34 34 CYS C C 174.921 0.1 1 344 34 34 CYS CA C 54.160 0.1 1 345 34 34 CYS CB C 38.265 0.1 1 346 34 34 CYS N N 119.499 0.1 1 347 35 35 SER H H 8.482 0.02 1 348 35 35 SER HA H 4.437 0.02 1 349 35 35 SER HB2 H 3.973 0.02 1 350 35 35 SER HB3 H 3.973 0.02 1 351 35 35 SER C C 174.338 0.1 1 352 35 35 SER CA C 60.750 0.1 1 353 35 35 SER CB C 64.172 0.1 1 354 35 35 SER N N 117.390 0.1 1 355 36 36 ILE H H 7.234 0.02 1 356 36 36 ILE HA H 4.936 0.02 1 357 36 36 ILE HB H 1.939 0.02 1 358 36 36 ILE HD1 H 0.837 0.02 1 359 36 36 ILE HG12 H 1.176 0.02 1 360 36 36 ILE HG2 H 1.034 0.02 1 361 36 36 ILE CA C 57.689 0.1 1 362 36 36 ILE CB C 39.633 0.1 1 363 36 36 ILE N N 115.115 0.1 1 364 37 37 PRO HA H 5.045 0.02 1 365 37 37 PRO HB2 H 2.347 0.02 2 366 37 37 PRO HB3 H 2.037 0.02 2 367 37 37 PRO HD2 H 3.886 0.02 1 368 37 37 PRO HD3 H 3.886 0.02 1 369 37 37 PRO HG2 H 2.194 0.02 1 370 37 37 PRO HG3 H 2.194 0.02 1 371 37 37 PRO C C 176.512 0.1 1 372 37 37 PRO CA C 61.307 0.1 1 373 37 37 PRO CB C 32.427 0.1 1 374 37 37 PRO CD C 50.397 0.1 1 375 37 37 PRO CG C 27.227 0.1 1 376 38 38 ALA H H 8.878 0.02 1 377 38 38 ALA HA H 4.912 0.02 1 378 38 38 ALA HB H 1.586 0.02 1 379 38 38 ALA C C 174.469 0.1 1 380 38 38 ALA CA C 52.591 0.1 1 381 38 38 ALA CB C 23.944 0.1 1 382 38 38 ALA N N 121.536 0.1 1 383 39 39 ILE H H 8.699 0.02 1 384 39 39 ILE HA H 4.507 0.02 1 385 39 39 ILE HB H 1.444 0.02 1 386 39 39 ILE HD1 H -0.081 0.02 1 387 39 39 ILE HG12 H 1.186 0.02 2 388 39 39 ILE HG13 H 1.176 0.02 2 389 39 39 ILE HG2 H 0.674 0.02 1 390 39 39 ILE C C 173.754 0.1 1 391 39 39 ILE CA C 58.334 0.1 1 392 39 39 ILE CB C 36.806 0.1 1 393 39 39 ILE CD1 C 17.925 0.1 1 394 39 39 ILE CG1 C 26.661 0.1 1 395 39 39 ILE CG2 C 9.513 0.1 1 396 39 39 ILE N N 121.126 0.1 1 397 40 40 LEU H H 8.739 0.02 1 398 40 40 LEU HA H 5.385 0.02 1 399 40 40 LEU HB2 H 1.738 0.02 2 400 40 40 LEU HB3 H 1.280 0.02 2 401 40 40 LEU HD1 H 0.895 0.02 2 402 40 40 LEU HD2 H 0.907 0.02 2 403 40 40 LEU HG H 1.717 0.02 1 404 40 40 LEU C C 177.067 0.1 1 405 40 40 LEU CA C 52.541 0.1 1 406 40 40 LEU CB C 42.300 0.1 1 407 40 40 LEU CD1 C 26.133 0.1 1 408 40 40 LEU CD2 C 25.367 0.1 1 409 40 40 LEU CG C 28.687 0.1 1 410 40 40 LEU N N 127.048 0.1 1 411 41 41 PHE H H 9.663 0.02 1 412 41 41 PHE HA H 5.190 0.02 1 413 41 41 PHE HB2 H 3.045 0.02 2 414 41 41 PHE HB3 H 3.094 0.02 2 415 41 41 PHE HD1 H 7.170 0.02 1 416 41 41 PHE HE1 H 6.835 0.02 1 417 41 41 PHE HZ H 7.110 0.02 1 418 41 41 PHE C C 174.849 0.1 1 419 41 41 PHE CA C 58.157 0.1 1 420 41 41 PHE CB C 42.096 0.1 1 421 41 41 PHE CD1 C 132.047 0.1 1 422 41 41 PHE CE1 C 130.494 0.1 1 423 41 41 PHE CZ C 130.494 0.1 1 424 41 41 PHE N N 122.988 0.1 1 425 42 42 LEU H H 8.873 0.02 1 426 42 42 LEU HB2 H 1.737 0.02 1 427 42 42 LEU HB3 H 1.737 0.02 1 428 42 42 LEU HD1 H 0.946 0.02 1 429 42 42 LEU HG H 1.925 0.02 1 430 42 42 LEU CA C 52.528 0.1 1 431 42 42 LEU CB C 42.370 0.1 1 432 42 42 LEU N N 126.704 0.1 1 433 43 43 PRO HA H 4.921 0.02 1 434 43 43 PRO HB2 H 2.410 0.02 2 435 43 43 PRO HB3 H 2.275 0.02 2 436 43 43 PRO HD2 H 4.382 0.02 1 437 43 43 PRO HD3 H 4.382 0.02 1 438 43 43 PRO HG2 H 1.893 0.02 1 439 43 43 PRO HG3 H 1.893 0.02 1 440 43 43 PRO C C 176.031 0.1 1 441 43 43 PRO CA C 62.575 0.1 1 442 43 43 PRO CB C 32.808 0.1 1 443 43 43 PRO CD C 52.221 0.1 1 444 43 43 PRO CG C 28.048 0.1 1 445 44 44 ARG H H 8.339 0.02 1 446 44 44 ARG HA H 3.942 0.02 1 447 44 44 ARG HB2 H 1.886 0.02 2 448 44 44 ARG HB3 H 1.634 0.02 2 449 44 44 ARG HD2 H 3.255 0.02 1 450 44 44 ARG HD3 H 3.255 0.02 1 451 44 44 ARG HG2 H 1.471 0.02 1 452 44 44 ARG HG3 H 1.471 0.02 1 453 44 44 ARG C C 176.965 0.1 1 454 44 44 ARG CA C 59.220 0.1 1 455 44 44 ARG CB C 30.557 0.1 1 456 44 44 ARG CD C 43.282 0.1 1 457 44 44 ARG CG C 28.869 0.1 1 458 44 44 ARG N N 119.912 0.1 1 459 45 45 LYS H H 8.006 0.02 1 460 45 45 LYS HA H 4.415 0.02 1 461 45 45 LYS HB2 H 1.953 0.02 2 462 45 45 LYS HB3 H 1.938 0.02 2 463 45 45 LYS HD2 H 1.753 0.02 1 464 45 45 LYS HD3 H 1.753 0.02 1 465 45 45 LYS HE2 H 2.416 0.02 1 466 45 45 LYS HE3 H 2.416 0.02 1 467 45 45 LYS HG2 H 1.519 0.02 1 468 45 45 LYS HG3 H 1.519 0.02 1 469 45 45 LYS C C 176.264 0.1 1 470 45 45 LYS CA C 56.298 0.1 1 471 45 45 LYS CB C 32.450 0.1 1 472 45 45 LYS CD C 29.782 0.1 1 473 45 45 LYS CE C 42.644 0.1 1 474 45 45 LYS CG C 25.129 0.1 1 475 45 45 LYS N N 118.973 0.1 1 476 46 46 ARG H H 8.432 0.02 1 477 46 46 ARG HA H 4.181 0.02 1 478 46 46 ARG HB2 H 1.924 0.02 1 479 46 46 ARG HB3 H 1.924 0.02 1 480 46 46 ARG HD2 H 3.276 0.02 1 481 46 46 ARG HD3 H 3.276 0.02 1 482 46 46 ARG HG2 H 1.815 0.02 1 483 46 46 ARG HG3 H 1.815 0.02 1 484 46 46 ARG C C 176.556 0.1 1 485 46 46 ARG CA C 58.043 0.1 1 486 46 46 ARG CB C 30.329 0.1 1 487 46 46 ARG CD C 43.282 0.1 1 488 46 46 ARG CG C 27.410 0.1 1 489 46 46 ARG N N 124.531 0.1 1 490 47 47 SER H H 8.139 0.02 1 491 47 47 SER HA H 4.322 0.02 1 492 47 47 SER HB2 H 4.106 0.02 2 493 47 47 SER HB3 H 3.951 0.02 2 494 47 47 SER C C 174.133 0.1 1 495 47 47 SER CA C 58.714 0.1 1 496 47 47 SER CB C 63.168 0.1 1 497 47 47 SER N N 112.497 0.1 1 498 48 48 GLN H H 7.701 0.02 1 499 48 48 GLN HA H 4.500 0.02 1 500 48 48 GLN HB2 H 2.234 0.02 2 501 48 48 GLN HB3 H 2.006 0.02 2 502 48 48 GLN HG2 H 2.455 0.02 1 503 48 48 GLN HG3 H 2.455 0.02 1 504 48 48 GLN C C 174.586 0.1 1 505 48 48 GLN CA C 55.083 0.1 1 506 48 48 GLN CB C 30.329 0.1 1 507 48 48 GLN CG C 34.343 0.1 1 508 48 48 GLN N N 121.116 0.1 1 509 49 49 ALA H H 8.176 0.02 1 510 49 49 ALA HA H 4.380 0.02 1 511 49 49 ALA HB H 1.513 0.02 1 512 49 49 ALA C C 177.388 0.1 1 513 49 49 ALA CA C 52.060 0.1 1 514 49 49 ALA CB C 20.112 0.1 1 515 49 49 ALA N N 124.481 0.1 1 516 50 50 GLU H H 8.400 0.02 1 517 50 50 GLU HA H 4.459 0.02 1 518 50 50 GLU HB2 H 2.043 0.02 2 519 50 50 GLU HB3 H 1.896 0.02 2 520 50 50 GLU HG2 H 2.531 0.02 2 521 50 50 GLU HG3 H 2.238 0.02 2 522 50 50 GLU C C 176.498 0.1 1 523 50 50 GLU CA C 57.360 0.1 1 524 50 50 GLU CB C 31.450 0.1 1 525 50 50 GLU CG C 37.991 0.1 1 526 50 50 GLU N N 117.121 0.1 1 527 51 51 LEU H H 8.869 0.02 1 528 51 51 LEU HA H 4.773 0.02 1 529 51 51 LEU HB2 H 1.993 0.02 2 530 51 51 LEU HB3 H 1.820 0.02 2 531 51 51 LEU HD1 H 1.035 0.02 2 532 51 51 LEU HD2 H 1.095 0.02 2 533 51 51 LEU HG H 1.924 0.02 1 534 51 51 LEU C C 175.578 0.1 1 535 51 51 LEU CA C 54.400 0.1 1 536 51 51 LEU CB C 44.651 0.1 1 537 51 51 LEU CD1 C 26.224 0.1 1 538 51 51 LEU CD2 C 24.300 0.1 1 539 51 51 LEU CG C 27.700 0.1 1 540 51 51 LEU N N 123.543 0.1 1 541 52 52 CYS H H 9.164 0.02 1 542 52 52 CYS HA H 5.318 0.02 1 543 52 52 CYS HB2 H 3.490 0.02 2 544 52 52 CYS HB3 H 3.345 0.02 2 545 52 52 CYS C C 173.229 0.1 1 546 52 52 CYS CA C 54.805 0.1 1 547 52 52 CYS CB C 42.515 0.1 1 548 52 52 CYS N N 124.061 0.1 1 549 53 53 ALA H H 9.900 0.02 1 550 53 53 ALA HA H 5.007 0.02 1 551 53 53 ALA HB H 1.459 0.02 1 552 53 53 ALA C C 173.973 0.1 1 553 53 53 ALA CA C 51.175 0.1 1 554 53 53 ALA CB C 25.221 0.1 1 555 53 53 ALA N N 130.861 0.1 1 556 54 54 ASP H H 8.390 0.02 1 557 54 54 ASP CA C 50.909 0.1 1 558 54 54 ASP CB C 41.458 0.1 1 559 54 54 ASP N N 121.456 0.1 1 560 55 55 PRO HA H 3.933 0.02 1 561 55 55 PRO HB2 H 1.869 0.02 2 562 55 55 PRO HB3 H 2.178 0.02 2 563 55 55 PRO C C 177.081 0.1 1 564 55 55 PRO CA C 63.811 0.1 1 565 55 55 PRO CB C 32.518 0.1 1 566 55 55 PRO CD C 51.127 0.1 1 567 55 55 PRO CG C 27.045 0.1 1 568 56 56 LYS H H 8.151 0.02 1 569 56 56 LYS HA H 3.939 0.02 1 570 56 56 LYS HB2 H 1.748 0.02 1 571 56 56 LYS HB3 H 1.748 0.02 1 572 56 56 LYS HD2 H 1.778 0.02 1 573 56 56 LYS HD3 H 1.778 0.02 1 574 56 56 LYS HE2 H 3.036 0.02 1 575 56 56 LYS HE3 H 3.036 0.02 1 576 56 56 LYS HG2 H 1.397 0.02 1 577 56 56 LYS HG3 H 1.397 0.02 1 578 56 56 LYS C C 177.811 0.1 1 579 56 56 LYS CA C 57.031 0.1 1 580 56 56 LYS CB C 32.336 0.1 1 581 56 56 LYS CD C 28.961 0.1 1 582 56 56 LYS CE C 41.868 0.1 1 583 56 56 LYS CG C 24.720 0.1 1 584 56 56 LYS N N 114.169 0.1 1 585 57 57 GLU H H 7.262 0.02 1 586 57 57 GLU HA H 4.158 0.02 1 587 57 57 GLU HB2 H 1.757 0.02 2 588 57 57 GLU HB3 H 1.583 0.02 2 589 57 57 GLU HG2 H 2.394 0.02 2 590 57 57 GLU HG3 H 2.125 0.02 2 591 57 57 GLU C C 177.490 0.1 1 592 57 57 GLU CA C 56.070 0.1 1 593 57 57 GLU CB C 30.420 0.1 1 594 57 57 GLU CG C 36.806 0.1 1 595 57 57 GLU N N 118.919 0.1 1 596 58 58 LEU H H 8.790 0.02 1 597 58 58 LEU HA H 3.973 0.02 1 598 58 58 LEU HB2 H 1.847 0.02 2 599 58 58 LEU HB3 H 1.751 0.02 2 600 58 58 LEU HD1 H 0.998 0.02 2 601 58 58 LEU HD2 H 0.951 0.02 2 602 58 58 LEU HG H 1.601 0.02 1 603 58 58 LEU C C 179.898 0.1 1 604 58 58 LEU CA C 58.688 0.1 1 605 58 58 LEU CB C 41.275 0.1 1 606 58 58 LEU CD1 C 23.425 0.1 1 607 58 58 LEU CD2 C 24.720 0.1 1 608 58 58 LEU CG C 27.308 0.1 1 609 58 58 LEU N N 127.225 0.1 1 610 59 59 TRP H H 8.703 0.02 1 611 59 59 TRP HA H 4.501 0.02 1 612 59 59 TRP HB2 H 3.551 0.02 2 613 59 59 TRP HB3 H 3.294 0.02 2 614 59 59 TRP HD1 H 7.712 0.02 1 615 59 59 TRP HE1 H 10.415 0.02 1 616 59 59 TRP HE3 H 7.305 0.02 1 617 59 59 TRP HH2 H 7.043 0.02 1 618 59 59 TRP HZ2 H 7.460 0.02 1 619 59 59 TRP HZ3 H 6.682 0.02 1 620 59 59 TRP C C 178.599 0.1 1 621 59 59 TRP CA C 59.662 0.1 1 622 59 59 TRP CB C 27.136 0.1 1 623 59 59 TRP CD1 C 128.941 0.1 1 624 59 59 TRP CE3 C 120.659 0.1 1 625 59 59 TRP CH2 C 124.541 0.1 1 626 59 59 TRP CZ2 C 116.517 0.1 1 627 59 59 TRP CZ3 C 120.917 0.1 1 628 59 59 TRP N N 115.725 0.1 1 629 59 59 TRP NE1 N 130.913 0.1 1 630 60 60 VAL H H 6.025 0.02 1 631 60 60 VAL HA H 2.940 0.02 1 632 60 60 VAL HB H 1.958 0.02 1 633 60 60 VAL HG1 H 0.528 0.02 2 634 60 60 VAL HG2 H -0.592 0.02 2 635 60 60 VAL C C 177.504 0.1 1 636 60 60 VAL CA C 65.996 0.1 1 637 60 60 VAL CB C 31.332 0.1 1 638 60 60 VAL CG1 C 21.161 0.1 1 639 60 60 VAL CG2 C 21.806 0.1 1 640 60 60 VAL N N 125.625 0.1 1 641 61 61 GLN H H 7.333 0.02 1 642 61 61 GLN HA H 4.075 0.02 1 643 61 61 GLN HB2 H 2.122 0.02 1 644 61 61 GLN HB3 H 2.122 0.02 1 645 61 61 GLN HG2 H 2.404 0.02 1 646 61 61 GLN HG3 H 2.404 0.02 1 647 61 61 GLN C C 179.781 0.1 1 648 61 61 GLN CA C 58.714 0.1 1 649 61 61 GLN CB C 27.775 0.1 1 650 61 61 GLN CG C 33.157 0.1 1 651 61 61 GLN N N 119.276 0.1 1 652 62 62 GLN H H 8.685 0.02 1 653 62 62 GLN HA H 4.065 0.02 1 654 62 62 GLN HB2 H 2.234 0.02 2 655 62 62 GLN HB3 H 2.091 0.02 2 656 62 62 GLN HG2 H 2.614 0.02 2 657 62 62 GLN HG3 H 2.455 0.02 2 658 62 62 GLN C C 178.832 0.1 1 659 62 62 GLN CA C 58.992 0.1 1 660 62 62 GLN CB C 28.279 0.1 1 661 62 62 GLN CG C 34.343 0.1 1 662 62 62 GLN N N 117.767 0.1 1 663 63 63 LEU H H 7.985 0.02 1 664 63 63 LEU HA H 4.347 0.02 1 665 63 63 LEU HB2 H 1.835 0.02 1 666 63 63 LEU HB3 H 1.835 0.02 1 667 63 63 LEU HD1 H 0.370 0.02 2 668 63 63 LEU HD2 H 0.858 0.02 2 669 63 63 LEU HG H 1.536 0.02 1 670 63 63 LEU C C 179.212 0.1 1 671 63 63 LEU CA C 58.309 0.1 1 672 63 63 LEU CB C 41.914 0.1 1 673 63 63 LEU CD1 C 24.720 0.1 1 674 63 63 LEU CD2 C 23.102 0.1 1 675 63 63 LEU CG C 27.632 0.1 1 676 63 63 LEU N N 123.386 0.1 1 677 64 64 MET H H 8.231 0.02 1 678 64 64 MET HA H 3.641 0.02 1 679 64 64 MET HB2 H 2.065 0.02 2 680 64 64 MET HB3 H 1.777 0.02 2 681 64 64 MET HG2 H 2.228 0.02 1 682 64 64 MET HG3 H 2.228 0.02 1 683 64 64 MET C C 177.300 0.1 1 684 64 64 MET CA C 60.573 0.1 1 685 64 64 MET CB C 34.799 0.1 1 686 64 64 MET CG C 30.238 0.1 1 687 64 64 MET N N 117.419 0.1 1 688 65 65 GLN H H 7.608 0.02 1 689 65 65 GLN HA H 4.135 0.02 1 690 65 65 GLN HB2 H 2.194 0.02 2 691 65 65 GLN HB3 H 2.119 0.02 2 692 65 65 GLN HG2 H 2.621 0.02 2 693 65 65 GLN HG3 H 2.463 0.02 2 694 65 65 GLN C C 178.424 0.1 1 695 65 65 GLN CA C 58.967 0.1 1 696 65 65 GLN CB C 28.550 0.1 1 697 65 65 GLN CG C 34.160 0.1 1 698 65 65 GLN N N 115.294 0.1 1 699 66 66 HIS H H 8.032 0.02 1 700 66 66 HIS HA H 4.462 0.02 1 701 66 66 HIS HB2 H 3.562 0.02 2 702 66 66 HIS HB3 H 3.306 0.02 2 703 66 66 HIS HD2 H 7.244 0.02 1 704 66 66 HIS C C 177.271 0.1 1 705 66 66 HIS CA C 58.739 0.1 1 706 66 66 HIS CB C 30.238 0.1 1 707 66 66 HIS CD2 C 120.400 0.1 1 708 66 66 HIS N N 117.620 0.1 1 709 67 67 LEU H H 8.216 0.02 1 710 67 67 LEU HA H 4.338 0.02 1 711 67 67 LEU HB2 H 2.222 0.02 2 712 67 67 LEU HB3 H 1.820 0.02 2 713 67 67 LEU HD1 H 1.094 0.02 2 714 67 67 LEU HD2 H 0.959 0.02 2 715 67 67 LEU HG H 2.109 0.02 1 716 67 67 LEU C C 178.424 0.1 1 717 67 67 LEU CA C 56.690 0.1 1 718 67 67 LEU CB C 43.191 0.1 1 719 67 67 LEU CD1 C 27.632 0.1 1 720 67 67 LEU CD2 C 22.575 0.1 1 721 67 67 LEU CG C 27.632 0.1 1 722 67 67 LEU N N 120.247 0.1 1 723 68 68 ASP H H 8.427 0.02 1 724 68 68 ASP HA H 4.691 0.02 1 725 68 68 ASP HB2 H 2.838 0.02 1 726 68 68 ASP HB3 H 2.838 0.02 1 727 68 68 ASP C C 176.643 0.1 1 728 68 68 ASP CA C 55.842 0.1 1 729 68 68 ASP CB C 41.367 0.1 1 730 68 68 ASP N N 119.782 0.1 1 731 69 69 LYS H H 7.705 0.02 1 732 69 69 LYS HA H 4.342 0.02 1 733 69 69 LYS HB2 H 1.880 0.02 1 734 69 69 LYS HB3 H 1.880 0.02 1 735 69 69 LYS HD2 H 1.743 0.02 1 736 69 69 LYS HD3 H 1.743 0.02 1 737 69 69 LYS HE2 H 3.052 0.02 1 738 69 69 LYS HE3 H 3.052 0.02 1 739 69 69 LYS HG2 H 1.489 0.02 1 740 69 69 LYS HG3 H 1.489 0.02 1 741 69 69 LYS C C 176.935 0.1 1 742 69 69 LYS CA C 56.513 0.1 1 743 69 69 LYS CB C 32.883 0.1 1 744 69 69 LYS CD C 29.599 0.1 1 745 69 69 LYS CE C 42.191 0.1 1 746 69 69 LYS CG C 25.038 0.1 1 747 69 69 LYS N N 118.608 0.1 1 748 70 70 THR H H 8.052 0.02 1 749 70 70 THR CA C 60.320 0.1 1 750 70 70 THR CB C 70.283 0.1 1 751 70 70 THR N N 118.851 0.1 1 752 71 71 PRO HA H 4.500 0.02 1 753 71 71 PRO HB2 H 2.353 0.02 2 754 71 71 PRO HB3 H 1.966 0.02 2 755 71 71 PRO HD2 H 3.901 0.02 2 756 71 71 PRO HD3 H 3.760 0.02 2 757 71 71 PRO HG2 H 2.069 0.02 2 758 71 71 PRO HG3 H 2.069 0.02 2 759 71 71 PRO C C 176.760 0.1 1 760 71 71 PRO CA C 63.204 0.1 1 761 71 71 PRO CB C 32.336 0.1 1 762 71 71 PRO CD C 50.945 0.1 1 763 71 71 PRO CG C 27.592 0.1 1 764 72 72 SER H H 8.521 0.02 1 765 72 72 SER CA C 56.652 0.1 1 766 72 72 SER CB C 63.898 0.1 1 767 72 72 SER N N 117.875 0.1 1 768 73 73 PRO HA H 4.496 0.02 1 769 73 73 PRO HB2 H 2.362 0.02 2 770 73 73 PRO HB3 H 1.972 0.02 2 771 73 73 PRO HD2 H 3.987 0.02 2 772 73 73 PRO HD3 H 3.849 0.02 2 773 73 73 PRO HG2 H 2.079 0.02 2 774 73 73 PRO HG3 H 2.079 0.02 2 775 73 73 PRO C C 176.862 0.1 1 776 73 73 PRO CA C 63.457 0.1 1 777 73 73 PRO CB C 32.336 0.1 1 778 73 73 PRO CD C 51.036 0.1 1 779 73 73 PRO CG C 27.592 0.1 1 780 74 74 GLN H H 8.438 0.02 1 781 74 74 GLN HA H 4.373 0.02 1 782 74 74 GLN HB2 H 2.113 0.02 2 783 74 74 GLN HB3 H 2.003 0.02 2 784 74 74 GLN HG2 H 2.445 0.02 2 785 74 74 GLN HG3 H 2.445 0.02 2 786 74 74 GLN C C 175.841 0.1 1 787 74 74 GLN CA C 55.766 0.1 1 788 74 74 GLN CB C 29.964 0.1 1 789 74 74 GLN CG C 33.978 0.1 1 790 74 74 GLN N N 120.647 0.1 1 791 75 75 LYS H H 8.415 0.02 1 792 75 75 LYS CA C 54.451 0.1 1 793 75 75 LYS CB C 32.883 0.1 1 794 75 75 LYS N N 124.261 0.1 1 795 76 76 PRO HA H 4.476 0.02 1 796 76 76 PRO HB2 H 2.324 0.02 2 797 76 76 PRO HB3 H 1.952 0.02 2 798 76 76 PRO HD2 H 3.879 0.02 2 799 76 76 PRO HD3 H 3.675 0.02 2 800 76 76 PRO HG2 H 2.069 0.02 2 801 76 76 PRO HG3 H 2.069 0.02 2 802 76 76 PRO C C 176.658 0.1 1 803 76 76 PRO CA C 63.204 0.1 1 804 76 76 PRO CB C 32.336 0.1 1 805 76 76 PRO CD C 50.580 0.1 1 806 76 76 PRO CG C 27.684 0.1 1 807 77 77 ALA H H 8.480 0.02 1 808 77 77 ALA HA H 4.383 0.02 1 809 77 77 ALA HB H 1.427 0.02 1 810 77 77 ALA C C 177.811 0.1 1 811 77 77 ALA CA C 52.566 0.1 1 812 77 77 ALA CB C 19.474 0.1 1 813 77 77 ALA N N 124.618 0.1 1 814 78 78 GLN H H 8.439 0.02 1 815 78 78 GLN HA H 4.386 0.02 1 816 78 78 GLN HB2 H 2.157 0.02 2 817 78 78 GLN HB3 H 2.032 0.02 2 818 78 78 GLN HG2 H 2.436 0.02 2 819 78 78 GLN HG3 H 2.436 0.02 2 820 78 78 GLN C C 176.483 0.1 1 821 78 78 GLN CA C 56.078 0.1 1 822 78 78 GLN CB C 30.055 0.1 1 823 78 78 GLN CG C 33.978 0.1 1 824 78 78 GLN N N 119.782 0.1 1 825 79 79 GLY H H 8.446 0.02 1 826 79 79 GLY HA2 H 4.024 0.02 2 827 79 79 GLY HA3 H 4.024 0.02 2 828 79 79 GLY C C 175.841 0.1 1 829 79 79 GLY CA C 45.414 0.1 1 830 79 79 GLY N N 109.652 0.1 1 831 80 80 CYS H H 8.307 0.02 1 832 80 80 CYS HA H 4.671 0.02 1 833 80 80 CYS HB2 H 2.745 0.02 2 834 80 80 CYS HB3 H 2.745 0.02 2 835 80 80 CYS C C 176.308 0.1 1 836 80 80 CYS CA C 55.759 0.1 1 837 80 80 CYS CB C 41.914 0.1 1 838 80 80 CYS N N 118.444 0.1 1 839 81 81 ARG H H 8.373 0.02 1 840 81 81 ARG HA H 4.404 0.02 1 841 81 81 ARG HB2 H 1.922 0.02 2 842 81 81 ARG HB3 H 1.828 0.02 2 843 81 81 ARG HD2 H 3.263 0.02 2 844 81 81 ARG HD3 H 3.263 0.02 2 845 81 81 ARG HG2 H 1.703 0.02 2 846 81 81 ARG HG3 H 1.703 0.02 2 847 81 81 ARG C C 176.249 0.1 1 848 81 81 ARG CA C 56.490 0.1 1 849 81 81 ARG CB C 31.150 0.1 1 850 81 81 ARG CD C 43.830 0.1 1 851 81 81 ARG CG C 27.227 0.1 1 852 81 81 ARG N N 121.723 0.1 1 853 82 82 LYS H H 8.455 0.02 1 854 82 82 LYS HA H 4.364 0.02 1 855 82 82 LYS HB2 H 1.908 0.02 2 856 82 82 LYS HB3 H 1.807 0.02 2 857 82 82 LYS HD2 H 1.737 0.02 2 858 82 82 LYS HD3 H 1.737 0.02 2 859 82 82 LYS HE2 H 3.046 0.02 2 860 82 82 LYS HE3 H 3.046 0.02 2 861 82 82 LYS HG2 H 1.485 0.02 2 862 82 82 LYS HG3 H 1.485 0.02 2 863 82 82 LYS C C 176.191 0.1 1 864 82 82 LYS CA C 56.734 0.1 1 865 82 82 LYS CB C 33.066 0.1 1 866 82 82 LYS CD C 29.573 0.1 1 867 82 82 LYS CE C 42.515 0.1 1 868 82 82 LYS CG C 25.043 0.1 1 869 82 82 LYS N N 122.697 0.1 1 870 83 83 ASP H H 8.362 0.02 1 871 83 83 ASP CA C 54.299 0.1 1 872 83 83 ASP CB C 41.640 0.1 1 873 83 83 ASP N N 121.227 0.1 1 874 84 84 ARG HA H 4.373 0.02 1 875 84 84 ARG HB2 H 1.982 0.02 2 876 84 84 ARG HB3 H 1.880 0.02 2 877 84 84 ARG HD2 H 3.259 0.02 2 878 84 84 ARG HD3 H 3.259 0.02 2 879 84 84 ARG HG2 H 1.701 0.02 2 880 84 84 ARG HG3 H 1.701 0.02 2 881 84 84 ARG C C 176.979 0.1 1 882 84 84 ARG CA C 56.734 0.1 1 883 84 84 ARG CB C 30.694 0.1 1 884 84 84 ARG CD C 43.830 0.1 1 885 84 84 ARG CG C 27.136 0.1 1 886 85 85 GLY H H 8.494 0.02 1 887 85 85 GLY HA2 H 3.993 0.02 2 888 85 85 GLY HA3 H 3.993 0.02 2 889 85 85 GLY C C 174.075 0.1 1 890 85 85 GLY CA C 45.468 0.1 1 891 85 85 GLY N N 109.402 0.1 1 892 86 86 ALA H H 8.145 0.02 1 893 86 86 ALA HA H 4.372 0.02 1 894 86 86 ALA HB H 1.449 0.02 1 895 86 86 ALA C C 178.001 0.1 1 896 86 86 ALA CA C 52.834 0.1 1 897 86 86 ALA CB C 19.565 0.1 1 898 86 86 ALA N N 123.603 0.1 1 899 87 87 SER H H 8.316 0.02 1 900 87 87 SER HA H 4.517 0.02 1 901 87 87 SER HB2 H 3.922 0.02 2 902 87 87 SER HB3 H 3.922 0.02 2 903 87 87 SER C C 174.849 0.1 1 904 87 87 SER CA C 58.629 0.1 1 905 87 87 SER CB C 64.126 0.1 1 906 87 87 SER N N 114.782 0.1 1 907 88 88 LYS H H 8.482 0.02 1 908 88 88 LYS HA H 4.424 0.02 1 909 88 88 LYS HB2 H 1.952 0.02 2 910 88 88 LYS HB3 H 1.838 0.02 2 911 88 88 LYS HD2 H 1.741 0.02 2 912 88 88 LYS HD3 H 1.741 0.02 2 913 88 88 LYS HE2 H 3.035 0.02 2 914 88 88 LYS HE3 H 3.035 0.02 2 915 88 88 LYS HG2 H 1.530 0.02 2 916 88 88 LYS HG3 H 1.530 0.02 2 917 88 88 LYS C C 177.037 0.1 1 918 88 88 LYS CA C 57.059 0.1 1 919 88 88 LYS CB C 33.066 0.1 1 920 88 88 LYS CD C 29.326 0.1 1 921 88 88 LYS CG C 25.129 0.1 1 922 88 88 LYS N N 123.133 0.1 1 923 89 89 THR H H 8.061 0.02 1 924 89 89 THR HA H 4.383 0.02 1 925 89 89 THR HB H 4.289 0.02 1 926 89 89 THR HG2 H 1.244 0.02 1 927 89 89 THR C C 175.199 0.1 1 928 89 89 THR CA C 61.960 0.1 1 929 89 89 THR CB C 70.283 0.1 1 930 89 89 THR CG2 C 21.754 0.1 1 931 89 89 THR N N 112.586 0.1 1 932 90 90 GLY H H 8.315 0.02 1 933 90 90 GLY HA2 H 4.226 0.02 2 934 90 90 GLY HA3 H 4.226 0.02 2 935 90 90 GLY C C 174.192 0.1 1 936 90 90 GLY CA C 45.414 0.1 1 937 90 90 GLY N N 110.812 0.1 1 938 91 91 LYS H H 8.219 0.02 1 939 91 91 LYS HA H 4.384 0.02 1 940 91 91 LYS HB2 H 1.850 0.02 2 941 91 91 LYS HB3 H 1.482 0.02 2 942 91 91 LYS HD2 H 1.720 0.02 2 943 91 91 LYS HD3 H 1.720 0.02 2 944 91 91 LYS HE2 H 3.044 0.02 2 945 91 91 LYS HE3 H 3.044 0.02 2 946 91 91 LYS HG2 H 1.482 0.02 2 947 91 91 LYS HG3 H 1.482 0.02 2 948 91 91 LYS C C 176.848 0.1 1 949 91 91 LYS CA C 56.544 0.1 1 950 91 91 LYS CB C 33.339 0.1 1 951 91 91 LYS CD C 29.573 0.1 1 952 91 91 LYS CE C 42.191 0.1 1 953 91 91 LYS CG C 25.043 0.1 1 954 91 91 LYS N N 120.822 0.1 1 955 92 92 LYS H H 8.426 0.02 1 956 92 92 LYS HA H 4.383 0.02 1 957 92 92 LYS HB2 H 1.880 0.02 2 958 92 92 LYS HB3 H 1.880 0.02 2 959 92 92 LYS HD2 H 1.728 0.02 2 960 92 92 LYS HD3 H 1.728 0.02 2 961 92 92 LYS HE2 H 3.045 0.02 2 962 92 92 LYS HE3 H 3.045 0.02 2 963 92 92 LYS HG2 H 1.499 0.02 2 964 92 92 LYS HG3 H 1.499 0.02 2 965 92 92 LYS C C 177.081 0.1 1 966 92 92 LYS CA C 56.707 0.1 1 967 92 92 LYS CB C 33.157 0.1 1 968 92 92 LYS CD C 29.417 0.1 1 969 92 92 LYS CG C 25.038 0.1 1 970 92 92 LYS N N 122.060 0.1 1 971 93 93 GLY H H 8.385 0.02 1 972 93 93 GLY HA2 H 4.034 0.02 2 973 93 93 GLY HA3 H 4.034 0.02 2 974 93 93 GLY C C 174.177 0.1 1 975 93 93 GLY CA C 45.360 0.1 1 976 93 93 GLY N N 109.899 0.1 1 977 94 94 LYS H H 8.329 0.02 1 978 94 94 LYS HA H 4.404 0.02 1 979 94 94 LYS HB2 H 1.874 0.02 2 980 94 94 LYS HB3 H 1.874 0.02 2 981 94 94 LYS HD2 H 1.736 0.02 2 982 94 94 LYS HD3 H 1.736 0.02 2 983 94 94 LYS HE2 H 3.055 0.02 2 984 94 94 LYS HE3 H 3.055 0.02 2 985 94 94 LYS HG2 H 1.499 0.02 2 986 94 94 LYS HG3 H 1.499 0.02 2 987 94 94 LYS C C 176.571 0.1 1 988 94 94 LYS CA C 56.666 0.1 1 989 94 94 LYS CB C 33.522 0.1 1 990 94 94 LYS CD C 29.417 0.1 1 991 94 94 LYS CE C 43.830 0.1 1 992 94 94 LYS CG C 25.129 0.1 1 993 94 94 LYS N N 120.980 0.1 1 994 95 95 GLY H H 8.536 0.02 1 995 95 95 GLY HA2 H 4.055 0.02 2 996 95 95 GLY HA3 H 4.055 0.02 2 997 95 95 GLY C C 174.206 0.1 1 998 95 95 GLY CA C 45.387 0.1 1 999 95 95 GLY N N 109.962 0.1 1 1000 96 96 SER H H 8.254 0.02 1 1001 96 96 SER HA H 4.517 0.02 1 1002 96 96 SER HB2 H 3.942 0.02 2 1003 96 96 SER HB3 H 3.942 0.02 2 1004 96 96 SER C C 174.396 0.1 1 1005 96 96 SER CA C 58.508 0.1 1 1006 96 96 SER CB C 64.308 0.1 1 1007 96 96 SER N N 115.623 0.1 1 1008 97 97 LYS H H 8.491 0.02 1 1009 97 97 LYS HA H 4.404 0.02 1 1010 97 97 LYS HB2 H 1.868 0.02 2 1011 97 97 LYS HB3 H 1.868 0.02 2 1012 97 97 LYS HD2 H 1.721 0.02 2 1013 97 97 LYS HD3 H 1.721 0.02 2 1014 97 97 LYS HE2 H 3.034 0.02 2 1015 97 97 LYS HE3 H 3.034 0.02 2 1016 97 97 LYS HG2 H 1.469 0.02 2 1017 97 97 LYS HG3 H 1.469 0.02 2 1018 97 97 LYS C C 177.081 0.1 1 1019 97 97 LYS CA C 56.815 0.1 1 1020 97 97 LYS CB C 33.248 0.1 1 1021 97 97 LYS CD C 29.417 0.1 1 1022 97 97 LYS CG C 25.129 0.1 1 1023 97 97 LYS N N 123.441 0.1 1 1024 98 98 GLY H H 8.435 0.02 1 1025 98 98 GLY HA2 H 4.034 0.02 2 1026 98 98 GLY HA3 H 4.034 0.02 2 1027 98 98 GLY C C 173.958 0.1 1 1028 98 98 GLY CA C 45.414 0.1 1 1029 98 98 GLY N N 109.184 0.1 1 1030 99 99 CYS H H 8.413 0.02 1 1031 99 99 CYS HA H 4.414 0.02 1 1032 99 99 CYS HB2 H 3.275 0.02 2 1033 99 99 CYS HB3 H 3.070 0.02 2 1034 99 99 CYS C C 174.469 0.1 1 1035 99 99 CYS CA C 55.732 0.1 1 1036 99 99 CYS CB C 41.777 0.1 1 1037 99 99 CYS N N 118.609 0.1 1 1038 100 100 LYS H H 8.496 0.02 1 1039 100 100 LYS HA H 4.381 0.02 1 1040 100 100 LYS HB2 H 1.880 0.02 2 1041 100 100 LYS HB3 H 1.880 0.02 2 1042 100 100 LYS HD2 H 1.737 0.02 2 1043 100 100 LYS HD3 H 1.737 0.02 2 1044 100 100 LYS HE2 H 3.066 0.02 2 1045 100 100 LYS HE3 H 3.066 0.02 2 1046 100 100 LYS HG2 H 1.489 0.02 2 1047 100 100 LYS HG3 H 1.489 0.02 2 1048 100 100 LYS C C 176.264 0.1 1 1049 100 100 LYS CA C 56.463 0.1 1 1050 100 100 LYS CB C 33.430 0.1 1 1051 100 100 LYS CD C 29.599 0.1 1 1052 100 100 LYS CE C 41.640 0.1 1 1053 100 100 LYS CG C 25.038 0.1 1 1054 100 100 LYS N N 123.629 0.1 1 1055 101 101 ARG H H 8.509 0.02 1 1056 101 101 ARG HA H 4.407 0.02 1 1057 101 101 ARG HB2 H 1.925 0.02 2 1058 101 101 ARG HB3 H 1.825 0.02 2 1059 101 101 ARG HD2 H 3.259 0.02 2 1060 101 101 ARG HD3 H 3.259 0.02 2 1061 101 101 ARG HG2 H 1.703 0.02 2 1062 101 101 ARG HG3 H 1.703 0.02 2 1063 101 101 ARG C C 176.439 0.1 1 1064 101 101 ARG CA C 56.416 0.1 1 1065 101 101 ARG CB C 31.150 0.1 1 1066 101 101 ARG CD C 43.830 0.1 1 1067 101 101 ARG CG C 27.319 0.1 1 1068 101 101 ARG N N 123.442 0.1 1 1069 102 102 THR H H 8.286 0.02 1 1070 102 102 THR HA H 4.383 0.02 1 1071 102 102 THR HB H 4.300 0.02 1 1072 102 102 THR HG2 H 1.239 0.02 1 1073 102 102 THR C C 174.498 0.1 1 1074 102 102 THR CA C 62.069 0.1 1 1075 102 102 THR CB C 70.238 0.1 1 1076 102 102 THR CG2 C 21.754 0.1 1 1077 102 102 THR N N 116.093 0.1 1 1078 103 103 GLU H H 8.523 0.02 1 1079 103 103 GLU HA H 4.388 0.02 1 1080 103 103 GLU HB2 H 2.095 0.02 2 1081 103 103 GLU HB3 H 1.980 0.02 2 1082 103 103 GLU HG2 H 2.323 0.02 2 1083 103 103 GLU HG3 H 2.323 0.02 2 1084 103 103 GLU C C 176.352 0.1 1 1085 103 103 GLU CA C 56.598 0.1 1 1086 103 103 GLU CB C 30.603 0.1 1 1087 103 103 GLU CG C 36.441 0.1 1 1088 103 103 GLU N N 124.044 0.1 1 1089 104 104 ARG H H 8.487 0.02 1 1090 104 104 ARG HA H 4.396 0.02 1 1091 104 104 ARG HB2 H 1.927 0.02 2 1092 104 104 ARG HB3 H 1.825 0.02 2 1093 104 104 ARG HD2 H 3.249 0.02 2 1094 104 104 ARG HD3 H 3.249 0.02 2 1095 104 104 ARG HG2 H 1.668 0.02 2 1096 104 104 ARG HG3 H 1.668 0.02 2 1097 104 104 ARG C C 176.352 0.1 1 1098 104 104 ARG CA C 56.382 0.1 1 1099 104 104 ARG CB C 31.515 0.1 1 1100 104 104 ARG CD C 43.647 0.1 1 1101 104 104 ARG CG C 27.136 0.1 1 1102 104 104 ARG N N 122.268 0.1 1 1103 105 105 SER H H 8.415 0.02 1 1104 105 105 SER HA H 4.476 0.02 1 1105 105 105 SER HB2 H 3.911 0.02 2 1106 105 105 SER HB3 H 3.911 0.02 2 1107 105 105 SER C C 174.484 0.1 1 1108 105 105 SER CA C 58.562 0.1 1 1109 105 105 SER CB C 64.126 0.1 1 1110 105 105 SER N N 117.275 0.1 1 1111 106 106 GLN H H 8.506 0.02 1 1112 106 106 GLN HA H 4.486 0.02 1 1113 106 106 GLN HB2 H 2.188 0.02 2 1114 106 106 GLN HB3 H 2.023 0.02 2 1115 106 106 GLN HG2 H 2.415 0.02 2 1116 106 106 GLN HG3 H 2.415 0.02 2 1117 106 106 GLN C C 175.841 0.1 1 1118 106 106 GLN CA C 55.813 0.1 1 1119 106 106 GLN CB C 29.964 0.1 1 1120 106 106 GLN CG C 33.978 0.1 1 1121 106 106 GLN N N 122.267 0.1 1 1122 107 107 THR H H 8.297 0.02 1 1123 107 107 THR CA C 60.092 0.1 1 1124 107 107 THR CB C 70.101 0.1 1 1125 107 107 THR N N 118.211 0.1 1 1126 108 108 PRO HA H 4.486 0.02 1 1127 108 108 PRO HB2 H 2.340 0.02 2 1128 108 108 PRO HB3 H 1.957 0.02 2 1129 108 108 PRO HD2 H 3.906 0.02 2 1130 108 108 PRO HD3 H 3.760 0.02 2 1131 108 108 PRO HG2 H 2.059 0.02 2 1132 108 108 PRO HG3 H 2.059 0.02 2 1133 108 108 PRO C C 176.862 0.1 1 1134 108 108 PRO CA C 63.504 0.1 1 1135 108 108 PRO CB C 32.485 0.1 1 1136 108 108 PRO CD C 51.310 0.1 1 1137 108 108 PRO CG C 27.775 0.1 1 1138 109 109 LYS H H 8.453 0.02 1 1139 109 109 LYS HA H 4.383 0.02 1 1140 109 109 LYS HB2 H 1.880 0.02 2 1141 109 109 LYS HB3 H 1.880 0.02 2 1142 109 109 LYS HD2 H 1.735 0.02 2 1143 109 109 LYS HD3 H 1.735 0.02 2 1144 109 109 LYS HE2 H 3.106 0.02 2 1145 109 109 LYS HE3 H 3.106 0.02 2 1146 109 109 LYS HG2 H 1.495 0.02 2 1147 109 109 LYS HG3 H 1.495 0.02 2 1148 109 109 LYS C C 176.731 0.1 1 1149 109 109 LYS CA C 56.463 0.1 1 1150 109 109 LYS CB C 33.522 0.1 1 1151 109 109 LYS CD C 29.234 0.1 1 1152 109 109 LYS CG C 25.038 0.1 1 1153 109 109 LYS N N 121.556 0.1 1 1154 110 110 GLY H H 8.213 0.02 1 1155 110 110 GLY CA C 44.222 0.1 1 1156 110 110 GLY N N 110.094 0.1 1 stop_ save_