data_15266 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Backbone Resonance Assignments of the Carboxyl Terminal Domain of Connexin40 ; _BMRB_accession_number 15266 _BMRB_flat_file_name bmr15266.str _Entry_type original _Submission_date 2007-05-24 _Accession_date 2007-05-24 _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 Bouvier Denis . . 2 Kieken Fabien . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 624 "13C chemical shifts" 418 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'correct entry citation' 2008-01-29 update BMRB 'complete entry citation' 2007-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N backbone resonance assignments of the carboxyl terminal domain of Connexin40' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636853 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bouvier Denis . . 2 Kieken Fabien . . 3 Sorgen Paul L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 157 _Year 2007 _Details . loop_ _Keyword Cx40 'gap junction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Connexin40 Carboxyl Terminal Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Connexin40 $Connexin43 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_Connexin43 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Connexin43 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GPLGSTSLVQGLTPPPDFNQ CLKNSPDEKFFSDFSNNMGS RKNPDPLATEEVPNQEQIPE EGFIHTQYGQKPEQPSGASA GHRFPQGYHSDKRRLSKASS KARSDDLSV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 THR 7 SER 8 LEU 9 VAL 10 GLN 11 GLY 12 LEU 13 THR 14 PRO 15 PRO 16 PRO 17 ASP 18 PHE 19 ASN 20 GLN 21 CYS 22 LEU 23 LYS 24 ASN 25 SER 26 PRO 27 ASP 28 GLU 29 LYS 30 PHE 31 PHE 32 SER 33 ASP 34 PHE 35 SER 36 ASN 37 ASN 38 MET 39 GLY 40 SER 41 ARG 42 LYS 43 ASN 44 PRO 45 ASP 46 PRO 47 LEU 48 ALA 49 THR 50 GLU 51 GLU 52 VAL 53 PRO 54 ASN 55 GLN 56 GLU 57 GLN 58 ILE 59 PRO 60 GLU 61 GLU 62 GLY 63 PHE 64 ILE 65 HIS 66 THR 67 GLN 68 TYR 69 GLY 70 GLN 71 LYS 72 PRO 73 GLU 74 GLN 75 PRO 76 SER 77 GLY 78 ALA 79 SER 80 ALA 81 GLY 82 HIS 83 ARG 84 PHE 85 PRO 86 GLN 87 GLY 88 TYR 89 HIS 90 SER 91 ASP 92 LYS 93 ARG 94 ARG 95 LEU 96 SER 97 LYS 98 ALA 99 SER 100 SER 101 LYS 102 ALA 103 ARG 104 SER 105 ASP 106 ASP 107 LEU 108 SER 109 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2K7M "Structure Of The Connexin40 Carboxyl Terminal Domain" 100.00 109 100.00 100.00 1.48e-72 GB AAA41000 "connexin [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 GB AAA41194 "connexin 40 [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 GB AAC53502 "connexin 40 [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 GB AAC53503 "connexin 40 [Rattus norvegicus]" 96.33 159 100.00 100.00 1.60e-69 GB AAH70935 "Gja5 protein [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 REF NP_062153 "gap junction alpha-5 protein [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 REF XP_008759550 "PREDICTED: gap junction alpha-5 protein isoform X1 [Rattus norvegicus]" 96.33 356 100.00 100.00 1.86e-68 SP P28234 "RecName: Full=Gap junction alpha-5 protein; AltName: Full=Connexin-40; Short=Cx40" 96.33 356 100.00 100.00 1.86e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Connexin43 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Connexin43 'recombinant technology' . Escherichia coli . pGEX-6P-2 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 $Connexin43 1 mM '[U-98% 13C; U-98% 15N]' Phosphate 11.9 mM 'natural abundance' 'Sodium Chloride' 137 mM 'natural abundance' 'Potassium Chloride' 2.7 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 150 . mM pH 6.0 . pH pressure 1 . atm temperature 280 . 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 water C 13 protons ppm 4.958 internal indirect . . . 0.101329118 water H 1 protons ppm 4.958 internal direct . . . 1.0 water N 15 protons ppm 4.958 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNHA' 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 Connexin40 _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 PRO HA H 4.464 0.05 1 2 2 2 PRO CA C 63.168 0.3 1 3 2 2 PRO CB C 32.530 0.3 1 4 3 3 LEU H H 8.650 0.05 1 5 3 3 LEU HA H 4.311 0.05 1 6 3 3 LEU HB2 H 1.661 0.05 2 7 3 3 LEU HB3 H 1.661 0.05 2 8 3 3 LEU HD1 H 0.873 0.05 2 9 3 3 LEU HD2 H 0.908 0.05 2 10 3 3 LEU HG H 1.661 0.05 1 11 3 3 LEU C C 172.990 0.3 1 12 3 3 LEU CA C 55.660 0.3 1 13 3 3 LEU CB C 41.900 0.3 1 14 3 3 LEU CD1 C 25.100 0.3 1 15 3 3 LEU CD2 C 23.500 0.3 1 16 3 3 LEU CG C 26.800 0.3 1 17 3 3 LEU N N 122.800 0.3 1 18 4 4 GLY H H 8.520 0.05 1 19 4 4 GLY HA2 H 3.944 0.05 2 20 4 4 GLY HA3 H 3.944 0.05 2 21 4 4 GLY C C 176.870 0.3 1 22 4 4 GLY CA C 45.010 0.3 1 23 4 4 GLY N N 110.220 0.3 1 24 5 5 SER H H 8.310 0.05 1 25 5 5 SER HA H 4.510 0.05 1 26 5 5 SER HB2 H 3.885 0.05 2 27 5 5 SER HB3 H 3.847 0.05 2 28 5 5 SER C C 175.970 0.3 1 29 5 5 SER CA C 58.160 0.3 1 30 5 5 SER CB C 63.770 0.3 1 31 5 5 SER N N 115.730 0.3 1 32 6 6 THR H H 8.350 0.05 1 33 6 6 THR HA H 4.400 0.05 1 34 6 6 THR HB H 4.242 0.05 1 35 6 6 THR HG2 H 1.191 0.05 1 36 6 6 THR C C 176.490 0.3 1 37 6 6 THR CA C 61.900 0.3 1 38 6 6 THR CB C 69.768 0.3 1 39 6 6 THR CG2 C 21.300 0.3 1 40 6 6 THR N N 116.090 0.3 1 41 7 7 SER H H 8.370 0.05 1 42 7 7 SER HA H 4.450 0.05 1 43 7 7 SER HB2 H 3.794 0.05 2 44 7 7 SER HB3 H 3.877 0.05 2 45 7 7 SER C C 176.600 0.3 1 46 7 7 SER CA C 58.150 0.3 1 47 7 7 SER CB C 63.770 0.3 1 48 7 7 SER N N 118.390 0.3 1 49 8 8 LEU H H 8.370 0.05 1 50 8 8 LEU HA H 4.350 0.05 1 51 8 8 LEU HB2 H 1.587 0.05 2 52 8 8 LEU HB3 H 1.587 0.05 2 53 8 8 LEU HD1 H 0.890 0.05 2 54 8 8 LEU HD2 H 0.827 0.05 2 55 8 8 LEU HG H 1.600 0.05 1 56 8 8 LEU C C 173.600 0.3 1 57 8 8 LEU CA C 55.030 0.3 1 58 8 8 LEU CB C 42.520 0.3 1 59 8 8 LEU CD1 C 25.100 0.3 1 60 8 8 LEU CD2 C 23.300 0.3 1 61 8 8 LEU CG C 26.800 0.3 1 62 8 8 LEU N N 124.610 0.3 1 63 9 9 VAL H H 8.190 0.05 1 64 9 9 VAL HA H 4.060 0.05 1 65 9 9 VAL HB H 2.022 0.05 1 66 9 9 VAL HG2 H 0.886 0.05 2 67 9 9 VAL C C 174.930 0.3 1 68 9 9 VAL CA C 62.520 0.3 1 69 9 9 VAL CB C 32.520 0.3 1 70 9 9 VAL CG2 C 21.000 0.3 1 71 9 9 VAL N N 121.720 0.3 1 72 10 10 GLN H H 8.570 0.05 1 73 10 10 GLN HA H 4.290 0.05 1 74 10 10 GLN HB2 H 1.980 0.05 2 75 10 10 GLN HB3 H 2.047 0.05 2 76 10 10 GLN HE21 H 7.082 0.05 2 77 10 10 GLN HE22 H 7.520 0.05 2 78 10 10 GLN HG2 H 2.349 0.05 2 79 10 10 GLN HG3 H 2.349 0.05 2 80 10 10 GLN C C 174.740 0.3 1 81 10 10 GLN CA C 56.220 0.3 1 82 10 10 GLN CB C 29.400 0.3 1 83 10 10 GLN CG C 33.500 0.3 1 84 10 10 GLN N N 125.020 0.3 1 85 11 11 GLY H H 8.500 0.05 1 86 11 11 GLY HA2 H 3.970 0.05 2 87 11 11 GLY HA3 H 3.970 0.05 2 88 11 11 GLY C C 177.280 0.3 1 89 11 11 GLY CA C 45.050 0.3 1 90 11 11 GLY N N 110.440 0.3 1 91 12 12 LEU H H 8.200 0.05 1 92 12 12 LEU HA H 4.410 0.05 1 93 12 12 LEU HB2 H 1.581 0.05 2 94 12 12 LEU HB3 H 1.581 0.05 2 95 12 12 LEU HD1 H 0.845 0.05 2 96 12 12 LEU HD2 H 0.845 0.05 2 97 12 12 LEU HG H 1.610 0.05 1 98 12 12 LEU C C 173.570 0.3 1 99 12 12 LEU CA C 55.020 0.3 1 100 12 12 LEU CB C 42.520 0.3 1 101 12 12 LEU CD1 C 25.000 0.3 1 102 12 12 LEU CD2 C 23.300 0.3 1 103 12 12 LEU CG C 26.800 0.3 1 104 12 12 LEU N N 121.570 0.3 1 105 13 13 THR H H 8.350 0.05 1 106 13 13 THR HA H 4.522 0.05 1 107 13 13 THR HB H 4.055 0.05 1 108 13 13 THR HG2 H 1.181 0.05 1 109 13 13 THR C C 176.680 0.3 1 110 13 13 THR CA C 59.960 0.3 1 111 13 13 THR CB C 69.440 0.3 1 112 13 13 THR CG2 C 21.100 0.3 1 113 13 13 THR N N 118.740 0.3 1 114 14 14 PRO HA H 4.655 0.05 1 115 14 14 PRO HB2 H 1.674 0.05 2 116 14 14 PRO HB3 H 2.140 0.05 2 117 14 14 PRO HD2 H 3.525 0.05 2 118 14 14 PRO HD3 H 3.796 0.05 2 119 14 14 PRO HG2 H 1.888 0.05 2 120 14 14 PRO HG3 H 2.311 0.05 2 121 14 14 PRO CA C 61.400 0.3 1 122 14 14 PRO CB C 31.900 0.3 1 123 14 14 PRO CD C 50.800 0.3 1 124 14 14 PRO CG C 30.800 0.3 1 125 15 15 PRO HA H 4.590 0.05 1 126 15 15 PRO HB2 H 1.837 0.05 2 127 15 15 PRO HB3 H 2.221 0.05 2 128 15 15 PRO HD2 H 3.509 0.05 2 129 15 15 PRO HD3 H 3.756 0.05 2 130 15 15 PRO HG2 H 1.972 0.05 2 131 15 15 PRO HG3 H 2.220 0.05 2 132 15 15 PRO CA C 61.404 0.3 1 133 15 15 PRO CB C 31.000 0.3 1 134 15 15 PRO CG C 30.820 0.3 1 135 16 16 PRO HA H 4.290 0.05 1 136 16 16 PRO HB2 H 1.680 0.05 2 137 16 16 PRO HB3 H 2.149 0.05 2 138 16 16 PRO HD2 H 3.801 0.05 2 139 16 16 PRO HD3 H 3.641 0.05 2 140 16 16 PRO HG2 H 1.933 0.05 2 141 16 16 PRO HG3 H 2.130 0.05 2 142 16 16 PRO C C 175.120 0.3 1 143 16 16 PRO CA C 62.900 0.3 1 144 16 16 PRO CB C 31.900 0.3 1 145 16 16 PRO CD C 50.800 0.3 1 146 16 16 PRO CG C 30.800 0.3 1 147 17 17 ASP H H 8.350 0.05 1 148 17 17 ASP HA H 4.500 0.05 1 149 17 17 ASP HB2 H 2.602 0.05 2 150 17 17 ASP HB3 H 2.602 0.05 2 151 17 17 ASP C C 174.900 0.3 1 152 17 17 ASP CA C 54.380 0.3 1 153 17 17 ASP CB C 41.260 0.3 1 154 17 17 ASP N N 119.650 0.3 1 155 18 18 PHE H H 8.260 0.05 1 156 18 18 PHE HA H 4.512 0.05 1 157 18 18 PHE HB2 H 3.056 0.05 2 158 18 18 PHE HB3 H 3.056 0.05 2 159 18 18 PHE HD1 H 7.118 0.05 3 160 18 18 PHE HD2 H 7.326 0.05 3 161 18 18 PHE HE1 H 7.326 0.05 3 162 18 18 PHE HE2 H 7.118 0.05 3 163 18 18 PHE HZ H 7.219 0.05 1 164 18 18 PHE C C 175.240 0.3 1 165 18 18 PHE CA C 58.210 0.3 1 166 18 18 PHE CB C 39.400 0.3 1 167 18 18 PHE N N 121.630 0.3 1 168 19 19 ASN H H 8.420 0.05 1 169 19 19 ASN HA H 4.580 0.05 1 170 19 19 ASN HB2 H 2.677 0.05 2 171 19 19 ASN HB3 H 2.739 0.05 2 172 19 19 ASN HD21 H 7.250 0.05 2 173 19 19 ASN HD22 H 7.070 0.05 2 174 19 19 ASN C C 175.900 0.3 1 175 19 19 ASN CA C 53.770 0.3 1 176 19 19 ASN CB C 38.800 0.3 1 177 19 19 ASN N N 120.110 0.3 1 178 20 20 GLN H H 8.250 0.05 1 179 20 20 GLN HA H 4.210 0.05 1 180 20 20 GLN HB2 H 2.105 0.05 2 181 20 20 GLN HB3 H 1.966 0.05 2 182 20 20 GLN HE21 H 6.943 0.05 2 183 20 20 GLN HE22 H 7.620 0.05 2 184 20 20 GLN HG2 H 2.319 0.05 2 185 20 20 GLN HG3 H 2.319 0.05 2 186 20 20 GLN C C 175.120 0.3 1 187 20 20 GLN CA C 56.280 0.3 1 188 20 20 GLN CB C 29.500 0.3 1 189 20 20 GLN CG C 33.550 0.3 1 190 20 20 GLN N N 120.660 0.3 1 191 21 21 CYS H H 8.350 0.05 1 192 21 21 CYS HA H 4.373 0.05 1 193 21 21 CYS HB2 H 2.883 0.05 2 194 21 21 CYS HB3 H 2.883 0.05 2 195 21 21 CYS C C 176.300 0.3 1 196 21 21 CYS CA C 58.790 0.3 1 197 21 21 CYS CB C 27.530 0.3 1 198 21 21 CYS N N 119.880 0.3 1 199 22 22 LEU H H 8.300 0.05 1 200 22 22 LEU HA H 4.294 0.05 1 201 22 22 LEU HB2 H 1.595 0.05 2 202 22 22 LEU HB3 H 1.595 0.05 2 203 22 22 LEU HD1 H 0.865 0.05 2 204 22 22 LEU HD2 H 0.830 0.05 2 205 22 22 LEU HG H 1.597 0.05 1 206 22 22 LEU C C 173.750 0.3 1 207 22 22 LEU CA C 55.090 0.3 1 208 22 22 LEU CB C 41.920 0.3 1 209 22 22 LEU CD1 C 23.500 0.3 1 210 22 22 LEU CD2 C 23.500 0.3 1 211 22 22 LEU CG C 26.800 0.3 1 212 22 22 LEU N N 124.290 0.3 1 213 23 23 LYS H H 8.290 0.05 1 214 23 23 LYS HA H 4.300 0.05 1 215 23 23 LYS HB2 H 1.719 0.05 2 216 23 23 LYS HB3 H 1.814 0.05 2 217 23 23 LYS HD2 H 1.614 0.05 2 218 23 23 LYS HD3 H 1.614 0.05 2 219 23 23 LYS HE2 H 2.950 0.05 2 220 23 23 LYS HE3 H 2.950 0.05 2 221 23 23 LYS HG2 H 1.391 0.05 2 222 23 23 LYS HG3 H 1.391 0.05 2 223 23 23 LYS HZ H 7.468 0.05 1 224 23 23 LYS C C 174.750 0.3 1 225 23 23 LYS CA C 56.290 0.3 1 226 23 23 LYS CB C 33.150 0.3 1 227 23 23 LYS CD C 29.100 0.3 1 228 23 23 LYS CE C 42.250 0.3 1 229 23 23 LYS CG C 24.600 0.3 1 230 23 23 LYS N N 121.900 0.3 1 231 24 24 ASN H H 8.460 0.05 1 232 24 24 ASN HA H 4.690 0.05 1 233 24 24 ASN HB2 H 2.781 0.05 2 234 24 24 ASN HB3 H 2.707 0.05 2 235 24 24 ASN HD21 H 7.679 0.05 2 236 24 24 ASN HD22 H 6.955 0.05 2 237 24 24 ASN C C 176.300 0.3 1 238 24 24 ASN CA C 53.150 0.3 1 239 24 24 ASN CB C 38.790 0.3 1 240 24 24 ASN N N 119.630 0.3 1 241 25 25 SER H H 8.326 0.05 1 242 25 25 SER HA H 4.688 0.05 1 243 25 25 SER HB2 H 3.870 0.05 2 244 25 25 SER HB3 H 3.870 0.05 2 245 25 25 SER C C 178.050 0.3 1 246 25 25 SER CA C 56.290 0.3 1 247 25 25 SER CB C 63.300 0.3 1 248 25 25 SER N N 117.260 0.3 1 249 26 26 PRO HA H 4.430 0.05 1 250 26 26 PRO HB2 H 1.960 0.05 2 251 26 26 PRO HB3 H 2.280 0.05 2 252 26 26 PRO HD2 H 3.730 0.05 2 253 26 26 PRO HD3 H 3.730 0.05 2 254 26 26 PRO HG2 H 1.962 0.05 2 255 26 26 PRO HG3 H 1.962 0.05 2 256 26 26 PRO C C 175.000 0.3 1 257 26 26 PRO CA C 63.250 0.3 1 258 26 26 PRO CB C 31.930 0.3 1 259 26 26 PRO CD C 50.800 0.3 1 260 26 26 PRO CG C 27.370 0.3 1 261 27 27 ASP H H 8.340 0.05 1 262 27 27 ASP HA H 4.528 0.05 1 263 27 27 ASP HB2 H 2.581 0.05 2 264 27 27 ASP HB3 H 2.706 0.05 2 265 27 27 ASP C C 174.750 0.3 1 266 27 27 ASP CA C 54.38 0.3 1 267 27 27 ASP CB C 41.220 0.3 1 268 27 27 ASP N N 119.670 0.3 1 269 28 28 GLU H H 8.230 0.05 1 270 28 28 GLU HA H 4.120 0.05 1 271 28 28 GLU HB2 H 1.932 0.05 2 272 28 28 GLU HB3 H 1.932 0.05 2 273 28 28 GLU HG2 H 2.187 0.05 2 274 28 28 GLU HG3 H 2.187 0.05 2 275 28 28 GLU C C 174.900 0.3 1 276 28 28 GLU CA C 56.910 0.3 1 277 28 28 GLU CB C 30.020 0.3 1 278 28 28 GLU CG C 36.150 0.3 1 279 28 28 GLU N N 121.680 0.3 1 280 29 29 LYS H H 8.280 0.05 1 281 29 29 LYS HA H 4.128 0.05 1 282 29 29 LYS HB2 H 1.596 0.05 2 283 29 29 LYS HB3 H 1.596 0.05 2 284 29 29 LYS HD2 H 1.650 0.05 2 285 29 29 LYS HD3 H 1.650 0.05 2 286 29 29 LYS HE2 H 2.913 0.05 2 287 29 29 LYS HE3 H 2.913 0.05 2 288 29 29 LYS HG2 H 1.236 0.05 2 289 29 29 LYS HG3 H 1.236 0.05 2 290 29 29 LYS C C 174.750 0.3 1 291 29 29 LYS CA C 56.310 0.3 1 292 29 29 LYS CB C 32.546 0.3 1 293 29 29 LYS CD C 28.300 0.3 1 294 29 29 LYS CE C 42.220 0.3 1 295 29 29 LYS CG C 24.550 0.3 1 296 29 29 LYS N N 121.760 0.3 1 297 30 30 PHE H H 8.150 0.05 1 298 30 30 PHE HA H 4.530 0.05 1 299 30 30 PHE HB2 H 2.917 0.05 2 300 30 30 PHE HB3 H 2.998 0.05 2 301 30 30 PHE C C 175.520 0.3 1 302 30 30 PHE CA C 58.120 0.3 1 303 30 30 PHE CB C 39.500 0.3 1 304 30 30 PHE N N 120.520 0.3 1 305 31 31 PHE H H 8.180 0.05 1 306 31 31 PHE HA H 4.520 0.05 1 307 31 31 PHE HB2 H 3.093 0.05 2 308 31 31 PHE HB3 H 2.966 0.05 2 309 31 31 PHE HD1 H 7.209 0.05 3 310 31 31 PHE HE1 H 7.092 0.05 3 311 31 31 PHE C C 175.500 0.3 1 312 31 31 PHE CA C 57.660 0.3 1 313 31 31 PHE CB C 40.030 0.3 1 314 31 31 PHE N N 121.420 0.3 1 315 32 32 SER H H 8.206 0.05 1 316 32 32 SER HA H 4.300 0.05 1 317 32 32 SER HB2 H 3.777 0.05 2 318 32 32 SER HB3 H 3.692 0.05 2 319 32 32 SER C C 177.100 0.3 1 320 32 32 SER CA C 58.170 0.3 1 321 32 32 SER CB C 63.770 0.3 1 322 32 32 SER N N 117.300 0.3 1 323 33 33 ASP H H 8.240 0.05 1 324 33 33 ASP HA H 4.530 0.05 1 325 33 33 ASP HB2 H 2.540 0.05 2 326 33 33 ASP HB3 H 2.540 0.05 2 327 33 33 ASP C C 174.780 0.3 1 328 33 33 ASP CA C 54.400 0.3 1 329 33 33 ASP CB C 41.170 0.3 1 330 33 33 ASP N N 122.320 0.3 1 331 34 34 PHE H H 8.220 0.05 1 332 34 34 PHE HA H 4.531 0.05 1 333 34 34 PHE HB2 H 2.979 0.05 2 334 34 34 PHE HB3 H 3.163 0.05 2 335 34 34 PHE HD1 H 7.190 0.05 3 336 34 34 PHE HD2 H 7.353 0.05 3 337 34 34 PHE HE1 H 7.353 0.05 3 338 34 34 PHE HE2 H 7.100 0.05 3 339 34 34 PHE HZ H 7.249 0.05 1 340 34 34 PHE C C 174.770 0.3 1 341 34 34 PHE CA C 58.140 0.3 1 342 34 34 PHE CB C 39.400 0.3 1 343 34 34 PHE N N 120.730 0.3 1 344 35 35 SER H H 8.230 0.05 1 345 35 35 SER HA H 4.280 0.05 1 346 35 35 SER HB2 H 3.809 0.05 2 347 35 35 SER HB3 H 3.809 0.05 2 348 35 35 SER C C 176.670 0.3 1 349 35 35 SER CA C 58.790 0.3 1 350 35 35 SER CB C 63.770 0.3 1 351 35 35 SER N N 116.540 0.3 1 352 36 36 ASN H H 8.320 0.05 1 353 36 36 ASN HA H 4.660 0.05 1 354 36 36 ASN HB2 H 2.735 0.05 2 355 36 36 ASN HB3 H 2.808 0.05 2 356 36 36 ASN C C 175.970 0.3 1 357 36 36 ASN CA C 53.170 0.3 1 358 36 36 ASN CB C 38.760 0.3 1 359 36 36 ASN N N 120.040 0.3 1 360 37 37 ASN H H 8.350 0.05 1 361 37 37 ASN HA H 4.658 0.05 1 362 37 37 ASN HB2 H 2.726 0.05 2 363 37 37 ASN HB3 H 2.801 0.05 2 364 37 37 ASN HD21 H 7.643 0.05 2 365 37 37 ASN HD22 H 7.000 0.05 2 366 37 37 ASN C C 175.510 0.3 1 367 37 37 ASN CA C 53.760 0.3 1 368 37 37 ASN CB C 38.790 0.3 1 369 37 37 ASN N N 118.740 0.3 1 370 38 38 MET H H 8.400 0.05 1 371 38 38 MET HA H 4.400 0.05 1 372 38 38 MET HB2 H 2.018 0.05 2 373 38 38 MET HB3 H 2.091 0.05 2 374 38 38 MET HE H 2.020 0.05 1 375 38 38 MET HG2 H 2.500 0.05 2 376 38 38 MET HG3 H 2.500 0.05 2 377 38 38 MET C C 173.950 0.3 1 378 38 38 MET CA C 55.750 0.3 1 379 38 38 MET CB C 32.450 0.3 1 380 38 38 MET CE C 16.530 0.3 1 381 38 38 MET CG C 31.900 0.3 1 382 38 38 MET N N 120.200 0.3 1 383 39 39 GLY H H 8.440 0.05 1 384 39 39 GLY HA2 H 3.930 0.05 2 385 39 39 GLY HA3 H 3.930 0.05 2 386 39 39 GLY C C 176.700 0.3 1 387 39 39 GLY CA C 45.650 0.3 1 388 39 39 GLY N N 109.530 0.3 1 389 40 40 SER H H 8.210 0.05 1 390 40 40 SER HA H 4.420 0.05 1 391 40 40 SER HB2 H 3.849 0.05 2 392 40 40 SER HB3 H 3.849 0.05 2 393 40 40 SER C C 176.490 0.3 1 394 40 40 SER CA C 58.150 0.3 1 395 40 40 SER CB C 63.780 0.3 1 396 40 40 SER N N 115.760 0.3 1 397 41 41 ARG H H 8.340 0.05 1 398 41 41 ARG HA H 4.280 0.05 1 399 41 41 ARG HB2 H 1.785 0.05 2 400 41 41 ARG HB3 H 1.785 0.05 2 401 41 41 ARG HD2 H 3.144 0.05 2 402 41 41 ARG HD3 H 3.144 0.05 2 403 41 41 ARG HG2 H 1.583 0.05 2 404 41 41 ARG HG3 H 1.583 0.05 2 405 41 41 ARG HH11 H 7.277 0.05 1 406 41 41 ARG C C 174.930 0.3 1 407 41 41 ARG CA C 56.250 0.3 1 408 41 41 ARG CB C 30.660 0.3 1 409 41 41 ARG CD C 43.400 0.3 1 410 41 41 ARG CG C 27.000 0.3 1 411 41 41 ARG N N 122.960 0.3 1 412 42 42 LYS H H 8.390 0.05 1 413 42 42 LYS HA H 4.300 0.05 1 414 42 42 LYS HB2 H 1.823 0.05 2 415 42 42 LYS HB3 H 1.823 0.05 2 416 42 42 LYS HD2 H 1.728 0.05 2 417 42 42 LYS HD3 H 1.728 0.05 2 418 42 42 LYS HE2 H 3.145 0.05 2 419 42 42 LYS HE3 H 3.145 0.05 2 420 42 42 LYS HG2 H 1.590 0.05 2 421 42 42 LYS HG3 H 1.590 0.05 2 422 42 42 LYS C C 174.940 0.3 1 423 42 42 LYS CA C 56.280 0.3 1 424 42 42 LYS CB C 33.140 0.3 1 425 42 42 LYS CD C 32.900 0.3 1 426 42 42 LYS CE C 42.200 0.3 1 427 42 42 LYS CG C 24.500 0.3 1 428 42 42 LYS N N 122.950 0.3 1 429 43 43 ASN H H 8.610 0.05 1 430 43 43 ASN HA H 4.890 0.05 1 431 43 43 ASN HB2 H 2.750 0.05 2 432 43 43 ASN HB3 H 2.633 0.05 2 433 43 43 ASN HD21 H 7.714 0.05 2 434 43 43 ASN HD22 H 7.039 0.05 2 435 43 43 ASN C C 177.600 0.3 1 436 43 43 ASN CA C 51.280 0.3 1 437 43 43 ASN CB C 38.770 0.3 1 438 43 43 ASN N N 122.100 0.3 1 439 43 43 ASN ND2 N 113.680 0.3 1 440 44 44 PRO HA H 4.370 0.05 1 441 44 44 PRO HB2 H 1.941 0.05 2 442 44 44 PRO HB3 H 2.250 0.05 2 443 44 44 PRO HD2 H 3.664 0.05 2 444 44 44 PRO HD3 H 3.664 0.05 2 445 44 44 PRO HG2 H 1.941 0.05 2 446 44 44 PRO HG3 H 1.941 0.05 2 447 44 44 PRO C C 174.700 0.3 1 448 44 44 PRO CA C 63.140 0.3 1 449 44 44 PRO CB C 31.950 0.3 1 450 44 44 PRO CD C 50.800 0.3 1 451 44 44 PRO CG C 27.300 0.3 1 452 45 45 ASP H H 8.440 0.05 1 453 45 45 ASP HA H 4.779 0.05 1 454 45 45 ASP HB2 H 2.730 0.05 2 455 45 45 ASP HB3 H 2.512 0.05 2 456 45 45 ASP C C 176.290 0.3 1 457 45 45 ASP CA C 51.920 0.3 1 458 45 45 ASP CB C 40.770 0.3 1 459 45 45 ASP N N 122.270 0.3 1 460 46 46 PRO HA H 4.410 0.05 1 461 46 46 PRO HB2 H 2.011 0.05 2 462 46 46 PRO HB3 H 2.308 0.05 2 463 46 46 PRO HD2 H 3.810 0.05 2 464 46 46 PRO HD3 H 3.810 0.05 2 465 46 46 PRO HG2 H 2.011 0.05 2 466 46 46 PRO HG3 H 2.011 0.05 2 467 46 46 PRO C C 175.390 0.3 1 468 46 46 PRO CA C 63.740 0.3 1 469 46 46 PRO CB C 32.510 0.3 1 470 46 46 PRO CD C 50.800 0.3 1 471 46 46 PRO CG C 27.200 0.3 1 472 47 47 LEU H H 8.376 0.05 1 473 47 47 LEU HA H 4.385 0.05 1 474 47 47 LEU HB2 H 1.570 0.05 2 475 47 47 LEU HB3 H 1.570 0.05 2 476 47 47 LEU HD1 H 0.910 0.05 2 477 47 47 LEU HD2 H 0.870 0.05 2 478 47 47 LEU HG H 1.687 0.05 1 479 47 47 LEU C C 173.700 0.3 1 480 47 47 LEU CA C 55.014 0.3 1 481 47 47 LEU CB C 41.868 0.3 1 482 47 47 LEU CD1 C 24.800 0.3 1 483 47 47 LEU CD2 C 23.100 0.3 1 484 47 47 LEU CG C 26.800 0.3 1 485 47 47 LEU N N 120.380 0.3 1 486 48 48 ALA H H 8.010 0.05 1 487 48 48 ALA HA H 4.301 0.05 1 488 48 48 ALA HB H 1.396 0.05 1 489 48 48 ALA C C 173.350 0.3 1 490 48 48 ALA CA C 52.500 0.3 1 491 48 48 ALA CB C 19.372 0.3 1 492 48 48 ALA N N 124.600 0.3 1 493 49 49 THR H H 8.148 0.05 1 494 49 49 THR HA H 4.322 0.05 1 495 49 49 THR HB H 4.200 0.05 1 496 49 49 THR HG2 H 1.177 0.05 1 497 49 49 THR C C 176.520 0.3 1 498 49 49 THR CA C 61.890 0.3 1 499 49 49 THR CB C 70.006 0.3 1 500 49 49 THR CG2 C 21.030 0.3 1 501 49 49 THR N N 113.583 0.3 1 502 50 50 GLU H H 8.432 0.05 1 503 50 50 GLU HA H 4.297 0.05 1 504 50 50 GLU HB2 H 1.898 0.05 2 505 50 50 GLU HB3 H 1.898 0.05 2 506 50 50 GLU HG2 H 2.229 0.05 2 507 50 50 GLU HG3 H 2.229 0.05 2 508 50 50 GLU C C 174.920 0.3 1 509 50 50 GLU CA C 56.290 0.3 1 510 50 50 GLU CB C 30.603 0.3 1 511 50 50 GLU CG C 36.000 0.3 1 512 50 50 GLU N N 123.186 0.3 1 513 51 51 GLU H H 8.515 0.05 1 514 51 51 GLU HA H 4.259 0.05 1 515 51 51 GLU HB2 H 1.928 0.05 2 516 51 51 GLU HB3 H 1.928 0.05 2 517 51 51 GLU HG2 H 2.244 0.05 2 518 51 51 GLU HG3 H 2.244 0.05 2 519 51 51 GLU C C 174.900 0.3 1 520 51 51 GLU CA C 56.265 0.3 1 521 51 51 GLU CB C 30.596 0.3 1 522 51 51 GLU CG C 36.000 0.3 1 523 51 51 GLU N N 122.979 0.3 1 524 52 52 VAL H H 8.429 0.05 1 525 52 52 VAL HA H 4.380 0.05 1 526 52 52 VAL HB H 2.037 0.05 1 527 52 52 VAL HG1 H 0.925 0.05 2 528 52 52 VAL HG2 H 0.974 0.05 2 529 52 52 VAL C C 176.680 0.3 1 530 52 52 VAL CA C 60.002 0.3 1 531 52 52 VAL CB C 32.544 0.3 1 532 52 52 VAL CG1 C 20.600 0.3 1 533 52 52 VAL CG2 C 20.600 0.3 1 534 52 52 VAL N N 124.077 0.3 1 535 53 53 PRO HA H 4.407 0.05 1 536 53 53 PRO HB2 H 1.905 0.05 2 537 53 53 PRO HB3 H 2.275 0.05 2 538 53 53 PRO HD2 H 3.811 0.05 2 539 53 53 PRO HD3 H 3.631 0.05 2 540 53 53 PRO HG2 H 1.905 0.05 2 541 53 53 PRO HG3 H 1.905 0.05 2 542 53 53 PRO C C 174.320 0.3 1 543 53 53 PRO CA C 63.160 0.3 1 544 53 53 PRO CB C 32.515 0.3 1 545 53 53 PRO CD C 50.800 0.3 1 546 53 53 PRO CG C 27.300 0.3 1 547 54 54 ASN H H 8.659 0.05 1 548 54 54 ASN HA H 4.590 0.05 1 549 54 54 ASN HB2 H 2.735 0.05 2 550 54 54 ASN HB3 H 2.830 0.05 2 551 54 54 ASN HD21 H 7.670 0.05 2 552 54 54 ASN HD22 H 7.000 0.05 2 553 54 54 ASN C C 175.730 0.3 1 554 54 54 ASN CA C 53.737 0.3 1 555 54 54 ASN CB C 38.765 0.3 1 556 54 54 ASN N N 119.305 0.3 1 557 55 55 GLN H H 8.518 0.05 1 558 55 55 GLN HA H 4.290 0.05 1 559 55 55 GLN HB2 H 2.091 0.05 2 560 55 55 GLN HB3 H 1.994 0.05 2 561 55 55 GLN HE21 H 6.984 0.05 2 562 55 55 GLN HE22 H 7.698 0.05 2 563 55 55 GLN HG2 H 2.317 0.05 2 564 55 55 GLN HG3 H 2.317 0.05 2 565 55 55 GLN C C 175.162 0.3 1 566 55 55 GLN CA C 55.736 0.3 1 567 55 55 GLN CB C 29.437 0.3 1 568 55 55 GLN CG C 33.700 0.3 1 569 55 55 GLN N N 121.216 0.3 1 570 56 56 GLU H H 8.523 0.05 1 571 56 56 GLU HA H 4.274 0.05 1 572 56 56 GLU HB2 H 1.901 0.05 2 573 56 56 GLU HB3 H 1.984 0.05 2 574 56 56 GLU HG2 H 2.244 0.05 2 575 56 56 GLU HG3 H 2.293 0.05 2 576 56 56 GLU C C 174.930 0.3 1 577 56 56 GLU CA C 56.311 0.3 1 578 56 56 GLU CB C 30.030 0.3 1 579 56 56 GLU CG C 36.000 0.3 1 580 56 56 GLU N N 122.107 0.3 1 581 57 57 GLN H H 8.437 0.05 1 582 57 57 GLN HA H 4.290 0.05 1 583 57 57 GLN HB2 H 1.986 0.05 2 584 57 57 GLN HB3 H 1.910 0.05 2 585 57 57 GLN HG2 H 2.280 0.05 2 586 57 57 GLN HG3 H 2.280 0.05 2 587 57 57 GLN C C 175.520 0.3 1 588 57 57 GLN CA C 55.133 0.3 1 589 57 57 GLN CB C 29.411 0.3 1 590 57 57 GLN CG C 33.600 0.3 1 591 57 57 GLN N N 121.760 0.3 1 592 58 58 ILE H H 8.420 0.05 1 593 58 58 ILE HA H 4.387 0.05 1 594 58 58 ILE HB H 1.830 0.05 1 595 58 58 ILE HD1 H 0.831 0.05 1 596 58 58 ILE HG12 H 1.120 0.05 1 597 58 58 ILE HG13 H 1.440 0.05 1 598 58 58 ILE HG2 H 0.910 0.05 1 599 58 58 ILE C C 176.510 0.3 1 600 58 58 ILE CA C 58.780 0.3 1 601 58 58 ILE CB C 38.741 0.3 1 602 58 58 ILE CD1 C 12.600 0.3 1 603 58 58 ILE CG1 C 26.800 0.3 1 604 58 58 ILE CG2 C 17.000 0.3 1 605 58 58 ILE N N 125.208 0.3 1 606 59 59 PRO HA H 4.407 0.05 1 607 59 59 PRO HB2 H 1.937 0.05 2 608 59 59 PRO HB3 H 2.270 0.05 2 609 59 59 PRO HD2 H 3.620 0.05 2 610 59 59 PRO HD3 H 3.780 0.05 2 611 59 59 PRO HG2 H 1.980 0.05 2 612 59 59 PRO HG3 H 1.980 0.05 2 613 59 59 PRO C C 174.260 0.3 1 614 59 59 PRO CA C 63.168 0.3 1 615 59 59 PRO CB C 31.897 0.3 1 616 59 59 PRO CD C 50.800 0.3 1 617 59 59 PRO CG C 27.320 0.3 1 618 60 60 GLU H H 8.628 0.05 1 619 60 60 GLU HA H 4.164 0.05 1 620 60 60 GLU HB2 H 1.961 0.05 2 621 60 60 GLU HB3 H 1.961 0.05 2 622 60 60 GLU HG2 H 2.259 0.05 2 623 60 60 GLU HG3 H 2.259 0.05 2 624 60 60 GLU C C 174.350 0.3 1 625 60 60 GLU CA C 56.901 0.3 1 626 60 60 GLU CB C 30.029 0.3 1 627 60 60 GLU CG C 36.000 0.3 1 628 60 60 GLU N N 121.798 0.3 1 629 61 61 GLU H H 8.591 0.05 1 630 61 61 GLU HA H 4.206 0.05 1 631 61 61 GLU HB2 H 1.932 0.05 2 632 61 61 GLU HB3 H 1.932 0.05 2 633 61 61 GLU HG2 H 2.238 0.05 2 634 61 61 GLU HG3 H 2.238 0.05 2 635 61 61 GLU C C 174.205 0.3 1 636 61 61 GLU CA C 56.901 0.3 1 637 61 61 GLU CB C 30.029 0.3 1 638 61 61 GLU CG C 36.200 0.3 1 639 61 61 GLU N N 121.850 0.3 1 640 62 62 GLY H H 8.469 0.05 1 641 62 62 GLY HA2 H 3.837 0.05 2 642 62 62 GLY HA3 H 3.837 0.05 2 643 62 62 GLY C C 177.280 0.3 1 644 62 62 GLY CA C 45.031 0.3 1 645 62 62 GLY N N 109.758 0.3 1 646 63 63 PHE H H 8.063 0.05 1 647 63 63 PHE HA H 4.585 0.05 1 648 63 63 PHE HB2 H 2.984 0.05 2 649 63 63 PHE HB3 H 2.984 0.05 2 650 63 63 PHE HD1 H 7.023 0.05 3 651 63 63 PHE HD2 H 7.023 0.05 3 652 63 63 PHE HE1 H 7.264 0.05 3 653 63 63 PHE HE2 H 7.264 0.05 3 654 63 63 PHE HZ H 7.134 0.05 1 655 63 63 PHE C C 175.480 0.3 1 656 63 63 PHE CA C 57.625 0.3 1 657 63 63 PHE CB C 39.424 0.3 1 658 63 63 PHE N N 119.715 0.3 1 659 64 64 ILE H H 8.118 0.05 1 660 64 64 ILE HA H 4.012 0.05 1 661 64 64 ILE HB H 1.706 0.05 1 662 64 64 ILE HD1 H 0.777 0.05 1 663 64 64 ILE HG12 H 1.340 0.05 1 664 64 64 ILE HG13 H 1.050 0.05 1 665 64 64 ILE HG2 H 0.744 0.05 1 666 64 64 ILE C C 175.320 0.3 1 667 64 64 ILE CA C 61.278 0.3 1 668 64 64 ILE CB C 38.775 0.3 1 669 64 64 ILE CD1 C 12.520 0.3 1 670 64 64 ILE CG1 C 27.300 0.3 1 671 64 64 ILE CG2 C 17.100 0.3 1 672 64 64 ILE N N 122.324 0.3 1 673 65 65 HIS H H 8.621 0.05 1 674 65 65 HIS HA H 4.700 0.05 1 675 65 65 HIS HB2 H 3.113 0.05 2 676 65 65 HIS HB3 H 3.196 0.05 2 677 65 65 HIS HE1 H 7.188 0.05 1 678 65 65 HIS C C 176.370 0.3 1 679 65 65 HIS CA C 55.606 0.3 1 680 65 65 HIS CB C 29.398 0.3 1 681 65 65 HIS N N 123.121 0.3 1 682 66 66 THR H H 8.243 0.05 1 683 66 66 THR HA H 4.270 0.05 1 684 66 66 THR HB H 4.070 0.05 1 685 66 66 THR HG2 H 1.055 0.05 1 686 66 66 THR C C 176.880 0.3 1 687 66 66 THR CA C 61.919 0.3 1 688 66 66 THR CB C 70.020 0.3 1 689 66 66 THR CG2 C 21.200 0.3 1 690 66 66 THR N N 116.402 0.3 1 691 67 67 GLN H H 8.539 0.05 1 692 67 67 GLN HA H 4.235 0.05 1 693 67 67 GLN HB2 H 1.890 0.05 2 694 67 67 GLN HB3 H 2.136 0.05 2 695 67 67 GLN HG2 H 2.360 0.05 2 696 67 67 GLN HG3 H 2.360 0.05 2 697 67 67 GLN C C 175.510 0.3 1 698 67 67 GLN CA C 55.652 0.3 1 699 67 67 GLN CB C 29.432 0.3 1 700 67 67 GLN CG C 32.500 0.3 1 701 67 67 GLN N N 122.721 0.3 1 702 68 68 TYR H H 8.372 0.05 1 703 68 68 TYR HA H 4.531 0.05 1 704 68 68 TYR HB2 H 3.036 0.05 2 705 68 68 TYR HB3 H 2.892 0.05 2 706 68 68 TYR HE1 H 7.170 0.05 3 707 68 68 TYR HE2 H 7.090 0.05 3 708 68 68 TYR C C 174.570 0.3 1 709 68 68 TYR CA C 58.173 0.3 1 710 68 68 TYR CB C 38.741 0.3 1 711 68 68 TYR N N 121.620 0.3 1 712 69 69 GLY H H 8.373 0.05 1 713 69 69 GLY HA2 H 3.904 0.05 2 714 69 69 GLY HA3 H 3.798 0.05 2 715 69 69 GLY C C 177.260 0.3 1 716 69 69 GLY CA C 45.039 0.3 1 717 69 69 GLY N N 111.061 0.3 1 718 70 70 GLN H H 8.199 0.05 1 719 70 70 GLN HA H 4.304 0.05 1 720 70 70 GLN HB2 H 2.052 0.05 2 721 70 70 GLN HB3 H 1.929 0.05 2 722 70 70 GLN HE21 H 6.915 0.05 2 723 70 70 GLN HE22 H 7.540 0.05 2 724 70 70 GLN HG2 H 2.290 0.05 2 725 70 70 GLN HG3 H 2.290 0.05 2 726 70 70 GLN C C 175.310 0.3 1 727 70 70 GLN CA C 55.652 0.3 1 728 70 70 GLN CB C 29.950 0.3 1 729 70 70 GLN CG C 33.800 0.3 1 730 70 70 GLN N N 119.795 0.3 1 731 71 71 LYS H H 8.548 0.05 1 732 71 71 LYS HA H 4.550 0.05 1 733 71 71 LYS HB2 H 1.750 0.05 2 734 71 71 LYS HB3 H 1.750 0.05 2 735 71 71 LYS HD2 H 1.690 0.05 2 736 71 71 LYS HD3 H 1.690 0.05 2 737 71 71 LYS HE2 H 3.100 0.05 2 738 71 71 LYS HE3 H 3.100 0.05 2 739 71 71 LYS HG2 H 1.440 0.05 2 740 71 71 LYS HG3 H 1.440 0.05 2 741 71 71 LYS C C 176.680 0.3 1 742 71 71 LYS CA C 54.419 0.3 1 743 71 71 LYS CB C 32.513 0.3 1 744 71 71 LYS CD C 33.000 0.3 1 745 71 71 LYS CE C 41.800 0.3 1 746 71 71 LYS CG C 24.700 0.3 1 747 71 71 LYS N N 124.561 0.3 1 748 72 72 PRO HA H 4.387 0.05 1 749 72 72 PRO HB2 H 1.958 0.05 2 750 72 72 PRO HB3 H 2.271 0.05 2 751 72 72 PRO HD2 H 3.600 0.05 2 752 72 72 PRO HD3 H 3.600 0.05 2 753 72 72 PRO HG2 H 1.958 0.05 2 754 72 72 PRO HG3 H 1.958 0.05 2 755 72 72 PRO C C 174.200 0.3 1 756 72 72 PRO CA C 63.159 0.3 1 757 72 72 PRO CB C 31.950 0.3 1 758 72 72 PRO CD C 51.100 0.3 1 759 72 72 PRO CG C 27.390 0.3 1 760 73 73 GLU H H 8.614 0.05 1 761 73 73 GLU HA H 4.188 0.05 1 762 73 73 GLU HB2 H 1.881 0.05 2 763 73 73 GLU HB3 H 2.000 0.05 2 764 73 73 GLU HG2 H 2.249 0.05 2 765 73 73 GLU HG3 H 2.249 0.05 2 766 73 73 GLU C C 174.900 0.3 1 767 73 73 GLU CA C 56.286 0.3 1 768 73 73 GLU CB C 30.113 0.3 1 769 73 73 GLU CG C 36.000 0.3 1 770 73 73 GLU N N 121.600 0.3 1 771 74 74 GLN H H 8.532 0.05 1 772 74 74 GLN HA H 4.210 0.05 1 773 74 74 GLN HB2 H 2.139 0.05 2 774 74 74 GLN HB3 H 2.139 0.05 2 775 74 74 GLN HE21 H 7.503 0.05 2 776 74 74 GLN HE22 H 6.899 0.05 2 777 74 74 GLN HG2 H 2.298 0.05 2 778 74 74 GLN HG3 H 2.298 0.05 2 779 74 74 GLN C C 175.470 0.3 1 780 74 74 GLN CA C 56.891 0.3 1 781 74 74 GLN CB C 30.026 0.3 1 782 74 74 GLN CG C 36.000 0.3 1 783 74 74 GLN N N 122.640 0.3 1 784 74 74 GLN NE2 N 112.700 0.3 1 785 75 75 PRO HA H 4.431 0.05 1 786 75 75 PRO HB2 H 1.932 0.05 2 787 75 75 PRO HB3 H 2.293 0.05 2 788 75 75 PRO HD2 H 3.610 0.05 2 789 75 75 PRO HD3 H 3.760 0.05 2 790 75 75 PRO HG2 H 1.932 0.05 2 791 75 75 PRO HG3 H 1.932 0.05 2 792 75 75 PRO C C 174.130 0.3 1 793 75 75 PRO CA C 63.170 0.3 1 794 75 75 PRO CB C 32.002 0.3 1 795 75 75 PRO CD C 51.060 0.3 1 796 75 75 PRO CG C 27.300 0.3 1 797 76 76 SER H H 8.600 0.05 1 798 76 76 SER HA H 4.415 0.05 1 799 76 76 SER HB2 H 3.885 0.05 2 800 76 76 SER HB3 H 3.885 0.05 2 801 76 76 SER C C 175.700 0.3 1 802 76 76 SER CA C 58.219 0.3 1 803 76 76 SER CB C 63.772 0.3 1 804 76 76 SER N N 116.642 0.3 1 805 77 77 GLY H H 8.543 0.05 1 806 77 77 GLY HA2 H 3.945 0.05 2 807 77 77 GLY HA3 H 3.945 0.05 2 808 77 77 GLY C C 176.880 0.3 1 809 77 77 GLY CA C 45.101 0.3 1 810 77 77 GLY N N 111.120 0.3 1 811 78 78 ALA H H 8.267 0.05 1 812 78 78 ALA HA H 4.286 0.05 1 813 78 78 ALA HB H 1.351 0.05 1 814 78 78 ALA C C 172.980 0.3 1 815 78 78 ALA CA C 52.821 0.3 1 816 78 78 ALA CB C 19.360 0.3 1 817 78 78 ALA N N 123.890 0.3 1 818 79 79 SER H H 8.360 0.05 1 819 79 79 SER HA H 4.404 0.05 1 820 79 79 SER HB2 H 3.875 0.05 2 821 79 79 SER HB3 H 3.875 0.05 2 822 79 79 SER C C 176.480 0.3 1 823 79 79 SER CA C 58.152 0.3 1 824 79 79 SER CB C 63.761 0.3 1 825 79 79 SER N N 115.011 0.3 1 826 80 80 ALA H H 8.321 0.05 1 827 80 80 ALA HA H 4.261 0.05 1 828 80 80 ALA HB H 1.355 0.05 1 829 80 80 ALA C C 172.920 0.3 1 830 80 80 ALA CA C 53.035 0.3 1 831 80 80 ALA CB C 18.844 0.3 1 832 80 80 ALA N N 125.776 0.3 1 833 81 81 GLY H H 8.353 0.05 1 834 81 81 GLY HA2 H 3.847 0.05 2 835 81 81 GLY HA3 H 3.847 0.05 2 836 81 81 GLY C C 177.270 0.3 1 837 81 81 GLY CA C 45.048 0.3 1 838 81 81 GLY N N 107.629 0.3 1 839 82 82 HIS H H 8.245 0.05 1 840 82 82 HIS HA H 4.565 0.05 1 841 82 82 HIS HB2 H 3.030 0.05 2 842 82 82 HIS HB3 H 2.980 0.05 2 843 82 82 HIS HE2 H 6.920 0.05 1 844 82 82 HIS C C 176.900 0.3 1 845 82 82 HIS CA C 55.375 0.3 1 846 82 82 HIS CB C 29.398 0.3 1 847 82 82 HIS N N 118.312 0.3 1 848 83 83 ARG H H 8.302 0.05 1 849 83 83 ARG HA H 4.187 0.05 1 850 83 83 ARG HB2 H 1.570 0.05 2 851 83 83 ARG HB3 H 1.570 0.05 2 852 83 83 ARG HD2 H 3.060 0.05 2 853 83 83 ARG HD3 H 3.060 0.05 2 854 83 83 ARG HG2 H 1.425 0.05 2 855 83 83 ARG HG3 H 1.354 0.05 2 856 83 83 ARG HH11 H 7.219 0.05 1 857 83 83 ARG HH12 H 6.811 0.05 1 858 83 83 ARG C C 175.530 0.3 1 859 83 83 ARG CA C 56.176 0.3 1 860 83 83 ARG CB C 30.682 0.3 1 861 83 83 ARG CD C 43.400 0.3 1 862 83 83 ARG CG C 26.800 0.3 1 863 83 83 ARG N N 122.403 0.3 1 864 84 84 PHE H H 8.414 0.05 1 865 84 84 PHE HA H 4.500 0.05 1 866 84 84 PHE HB2 H 2.972 0.05 2 867 84 84 PHE HB3 H 2.972 0.05 2 868 84 84 PHE C C 177.270 0.3 1 869 84 84 PHE CA C 55.647 0.3 1 870 84 84 PHE CB C 38.778 0.3 1 871 84 84 PHE N N 121.615 0.3 1 872 85 85 PRO HA H 4.400 0.05 1 873 85 85 PRO HB2 H 1.917 0.05 2 874 85 85 PRO HB3 H 2.294 0.05 2 875 85 85 PRO HD2 H 3.550 0.05 2 876 85 85 PRO HD3 H 3.470 0.05 2 877 85 85 PRO HG2 H 2.025 0.05 2 878 85 85 PRO HG3 H 2.025 0.05 2 879 85 85 PRO C C 174.150 0.3 1 880 85 85 PRO CA C 63.138 0.3 1 881 85 85 PRO CB C 32.091 0.3 1 882 85 85 PRO CD C 51.000 0.3 1 883 85 85 PRO CG C 27.300 0.3 1 884 86 86 GLN H H 8.680 0.05 1 885 86 86 GLN HA H 4.245 0.05 1 886 86 86 GLN HB2 H 1.997 0.05 2 887 86 86 GLN HB3 H 1.997 0.05 2 888 86 86 GLN HE21 H 7.175 0.05 2 889 86 86 GLN HE22 H 7.822 0.05 2 890 86 86 GLN HG2 H 2.379 0.05 2 891 86 86 GLN HG3 H 2.379 0.05 2 892 86 86 GLN C C 174.220 0.3 1 893 86 86 GLN CA C 56.397 0.3 1 894 86 86 GLN CB C 29.352 0.3 1 895 86 86 GLN CG C 33.700 0.3 1 896 86 86 GLN N N 120.948 0.3 1 897 87 87 GLY H H 8.623 0.05 1 898 87 87 GLY HA2 H 3.982 0.05 2 899 87 87 GLY HA3 H 3.828 0.05 2 900 87 87 GLY C C 177.270 0.3 1 901 87 87 GLY CA C 45.021 0.3 1 902 87 87 GLY N N 111.020 0.3 1 903 88 88 TYR H H 8.043 0.05 1 904 88 88 TYR HA H 4.358 0.05 1 905 88 88 TYR HB2 H 2.818 0.05 2 906 88 88 TYR HB3 H 2.965 0.05 2 907 88 88 TYR HD1 H 6.860 0.05 3 908 88 88 TYR HE1 H 7.149 0.05 3 909 88 88 TYR C C 175.500 0.3 1 910 88 88 TYR CA C 58.747 0.3 1 911 88 88 TYR CB C 39.290 0.3 1 912 88 88 TYR N N 120.767 0.3 1 913 89 89 HIS H H 8.349 0.05 1 914 89 89 HIS HA H 4.512 0.05 1 915 89 89 HIS HB2 H 3.122 0.05 2 916 89 89 HIS HB3 H 2.956 0.05 2 917 89 89 HIS HE1 H 7.085 0.05 1 918 89 89 HIS HE2 H 7.070 0.05 1 919 89 89 HIS C C 177.300 0.3 1 920 89 89 HIS CA C 55.030 0.3 1 921 89 89 HIS CB C 29.443 0.3 1 922 89 89 HIS N N 121.708 0.3 1 923 90 90 SER H H 8.243 0.05 1 924 90 90 SER HA H 4.277 0.05 1 925 90 90 SER HB2 H 3.830 0.05 2 926 90 90 SER HB3 H 3.830 0.05 2 927 90 90 SER C C 176.900 0.3 1 928 90 90 SER CA C 58.183 0.3 1 929 90 90 SER CB C 63.761 0.3 1 930 90 90 SER N N 117.077 0.3 1 931 91 91 ASP H H 8.524 0.05 1 932 91 91 ASP HA H 4.600 0.05 1 933 91 91 ASP HB2 H 2.679 0.05 2 934 91 91 ASP HB3 H 2.679 0.05 2 935 91 91 ASP C C 175.300 0.3 1 936 91 91 ASP CA C 54.349 0.3 1 937 91 91 ASP CB C 41.208 0.3 1 938 91 91 ASP N N 122.979 0.3 1 939 92 92 LYS H H 8.357 0.05 1 940 92 92 LYS HA H 4.209 0.05 1 941 92 92 LYS HB2 H 1.829 0.05 2 942 92 92 LYS HB3 H 1.726 0.05 2 943 92 92 LYS HD2 H 1.716 0.05 2 944 92 92 LYS HD3 H 1.716 0.05 2 945 92 92 LYS HE2 H 2.950 0.05 2 946 92 92 LYS HE3 H 2.950 0.05 2 947 92 92 LYS HG2 H 1.398 0.05 2 948 92 92 LYS HG3 H 1.398 0.05 2 949 92 92 LYS C C 174.050 0.3 1 950 92 92 LYS CA C 56.942 0.3 1 951 92 92 LYS CB C 32.519 0.3 1 952 92 92 LYS CD C 33.000 0.3 1 953 92 92 LYS CE C 42.200 0.3 1 954 92 92 LYS CG C 24.530 0.3 1 955 92 92 LYS N N 122.178 0.3 1 956 93 93 ARG H H 8.319 0.05 1 957 93 93 ARG HA H 4.208 0.05 1 958 93 93 ARG HB2 H 1.786 0.05 2 959 93 93 ARG HB3 H 1.786 0.05 2 960 93 93 ARG HD2 H 3.150 0.05 2 961 93 93 ARG HD3 H 3.150 0.05 2 962 93 93 ARG HG2 H 1.609 0.05 2 963 93 93 ARG HG3 H 1.609 0.05 2 964 93 93 ARG C C 174.550 0.3 1 965 93 93 ARG CA C 56.828 0.3 1 966 93 93 ARG CB C 30.065 0.3 1 967 93 93 ARG CD C 43.300 0.3 1 968 93 93 ARG CG C 27.000 0.3 1 969 93 93 ARG N N 121.434 0.3 1 970 94 94 ARG H H 8.312 0.05 1 971 94 94 ARG HA H 4.275 0.05 1 972 94 94 ARG HB2 H 1.757 0.05 2 973 94 94 ARG HB3 H 1.757 0.05 2 974 94 94 ARG HD2 H 3.156 0.05 2 975 94 94 ARG HD3 H 3.156 0.05 2 976 94 94 ARG HG2 H 1.660 0.05 2 977 94 94 ARG HG3 H 1.660 0.05 2 978 94 94 ARG C C 174.750 0.3 1 979 94 94 ARG CA C 56.300 0.3 1 980 94 94 ARG CB C 30.640 0.3 1 981 94 94 ARG CD C 43.300 0.3 1 982 94 94 ARG CG C 26.900 0.3 1 983 94 94 ARG N N 121.929 0.3 1 984 95 95 LEU H H 8.325 0.05 1 985 95 95 LEU HA H 4.288 0.05 1 986 95 95 LEU HB2 H 1.633 0.05 2 987 95 95 LEU HB3 H 1.633 0.05 2 988 95 95 LEU HD1 H 0.835 0.05 2 989 95 95 LEU HD2 H 0.835 0.05 2 990 95 95 LEU HG H 1.662 0.05 1 991 95 95 LEU C C 173.580 0.3 1 992 95 95 LEU CA C 55.036 0.3 1 993 95 95 LEU CB C 42.505 0.3 1 994 95 95 LEU CD1 C 24.800 0.3 1 995 95 95 LEU CD2 C 23.200 0.3 1 996 95 95 LEU CG C 26.780 0.3 1 997 95 95 LEU N N 123.374 0.3 1 998 96 96 SER H H 8.341 0.05 1 999 96 96 SER HA H 4.400 0.05 1 1000 96 96 SER HB2 H 3.873 0.05 2 1001 96 96 SER HB3 H 3.873 0.05 2 1002 96 96 SER C C 176.500 0.3 1 1003 96 96 SER CA C 58.323 0.3 1 1004 96 96 SER CB C 63.765 0.3 1 1005 96 96 SER N N 116.982 0.3 1 1006 97 97 LYS H H 8.458 0.05 1 1007 97 97 LYS HA H 4.291 0.05 1 1008 97 97 LYS HB2 H 1.828 0.05 2 1009 97 97 LYS HB3 H 1.828 0.05 2 1010 97 97 LYS HD2 H 1.730 0.05 2 1011 97 97 LYS HD3 H 1.730 0.05 2 1012 97 97 LYS HE2 H 2.984 0.05 2 1013 97 97 LYS HE3 H 2.984 0.05 2 1014 97 97 LYS HG2 H 1.428 0.05 2 1015 97 97 LYS HG3 H 1.428 0.05 2 1016 97 97 LYS C C 174.540 0.3 1 1017 97 97 LYS CA C 56.294 0.3 1 1018 97 97 LYS CB C 33.143 0.3 1 1019 97 97 LYS CD C 32.830 0.3 1 1020 97 97 LYS CE C 42.130 0.3 1 1021 97 97 LYS CG C 24.700 0.3 1 1022 97 97 LYS N N 123.653 0.3 1 1023 98 98 ALA H H 8.404 0.05 1 1024 98 98 ALA HA H 4.284 0.05 1 1025 98 98 ALA HB H 1.381 0.05 1 1026 98 98 ALA C C 173.100 0.3 1 1027 98 98 ALA CA C 53.068 0.3 1 1028 98 98 ALA CB C 19.134 0.3 1 1029 98 98 ALA N N 125.186 0.3 1 1030 99 99 SER H H 8.357 0.05 1 1031 99 99 SER HA H 4.404 0.05 1 1032 99 99 SER HB2 H 3.860 0.05 2 1033 99 99 SER HB3 H 3.860 0.05 2 1034 99 99 SER C C 176.300 0.3 1 1035 99 99 SER CA C 58.176 0.3 1 1036 99 99 SER CB C 63.773 0.3 1 1037 99 99 SER N N 115.283 0.3 1 1038 100 100 SER H H 8.398 0.05 1 1039 100 100 SER HA H 4.439 0.05 1 1040 100 100 SER HB2 H 3.908 0.05 2 1041 100 100 SER HB3 H 3.879 0.05 2 1042 100 100 SER C C 176.500 0.3 1 1043 100 100 SER CA C 58.184 0.3 1 1044 100 100 SER CB C 63.758 0.3 1 1045 100 100 SER N N 118.251 0.3 1 1046 101 101 LYS H H 8.328 0.05 1 1047 101 101 LYS HA H 4.300 0.05 1 1048 101 101 LYS HB2 H 1.820 0.05 2 1049 101 101 LYS HB3 H 1.820 0.05 2 1050 101 101 LYS HD2 H 1.719 0.05 2 1051 101 101 LYS HD3 H 1.719 0.05 2 1052 101 101 LYS HE2 H 3.161 0.05 2 1053 101 101 LYS HE3 H 3.161 0.05 2 1054 101 101 LYS HG2 H 1.417 0.05 2 1055 101 101 LYS HG3 H 1.417 0.05 2 1056 101 101 LYS C C 174.500 0.3 1 1057 101 101 LYS CA C 56.245 0.3 1 1058 101 101 LYS CB C 33.139 0.3 1 1059 101 101 LYS CD C 29.100 0.3 1 1060 101 101 LYS CE C 43.390 0.3 1 1061 101 101 LYS CG C 24.600 0.3 1 1062 101 101 LYS N N 123.321 0.3 1 1063 102 102 ALA H H 8.342 0.05 1 1064 102 102 ALA HA H 4.267 0.05 1 1065 102 102 ALA HB H 1.366 0.05 1 1066 102 102 ALA C C 173.350 0.3 1 1067 102 102 ALA CA C 52.554 0.3 1 1068 102 102 ALA CB C 19.368 0.3 1 1069 102 102 ALA N N 125.503 0.3 1 1070 103 103 ARG H H 8.431 0.05 1 1071 103 103 ARG HA H 4.261 0.05 1 1072 103 103 ARG HB2 H 1.770 0.05 2 1073 103 103 ARG HB3 H 1.861 0.05 2 1074 103 103 ARG HD2 H 3.184 0.05 2 1075 103 103 ARG HD3 H 3.184 0.05 2 1076 103 103 ARG HG2 H 1.670 0.05 2 1077 103 103 ARG HG3 H 1.670 0.05 2 1078 103 103 ARG C C 174.530 0.3 1 1079 103 103 ARG CA C 56.271 0.3 1 1080 103 103 ARG CB C 31.250 0.3 1 1081 103 103 ARG CD C 43.360 0.3 1 1082 103 103 ARG CG C 26.900 0.3 1 1083 103 103 ARG N N 120.731 0.3 1 1084 104 104 SER H H 8.513 0.05 1 1085 104 104 SER HA H 4.410 0.05 1 1086 104 104 SER HB2 H 3.879 0.05 2 1087 104 104 SER HB3 H 3.879 0.05 2 1088 104 104 SER C C 176.700 0.3 1 1089 104 104 SER CA C 58.624 0.3 1 1090 104 104 SER CB C 63.727 0.3 1 1091 104 104 SER N N 117.283 0.3 1 1092 105 105 ASP H H 8.424 0.05 1 1093 105 105 ASP HA H 4.598 0.05 1 1094 105 105 ASP HB2 H 2.653 0.05 2 1095 105 105 ASP HB3 H 2.653 0.05 2 1096 105 105 ASP C C 175.300 0.3 1 1097 105 105 ASP CA C 54.360 0.3 1 1098 105 105 ASP CB C 41.000 0.3 1 1099 105 105 ASP N N 121.949 0.3 1 1100 106 106 ASP H H 8.201 0.05 1 1101 106 106 ASP HA H 4.588 0.05 1 1102 106 106 ASP HB2 H 2.600 0.05 2 1103 106 106 ASP HB3 H 2.670 0.05 2 1104 106 106 ASP C C 174.800 0.3 1 1105 106 106 ASP CA C 54.390 0.3 1 1106 106 106 ASP CB C 41.156 0.3 1 1107 106 106 ASP N N 120.040 0.3 1 1108 107 107 LEU H H 8.273 0.05 1 1109 107 107 LEU HA H 4.358 0.05 1 1110 107 107 LEU HB2 H 1.639 0.05 2 1111 107 107 LEU HB3 H 1.639 0.05 2 1112 107 107 LEU HD1 H 0.843 0.05 2 1113 107 107 LEU HD2 H 0.843 0.05 2 1114 107 107 LEU HG H 1.652 0.05 1 1115 107 107 LEU C C 173.560 0.3 1 1116 107 107 LEU CA C 55.025 0.3 1 1117 107 107 LEU CB C 41.900 0.3 1 1118 107 107 LEU CD1 C 25.070 0.3 1 1119 107 107 LEU CD2 C 23.300 0.3 1 1120 107 107 LEU CG C 26.800 0.3 1 1121 107 107 LEU N N 122.402 0.3 1 1122 108 108 SER H H 8.379 0.05 1 1123 108 108 SER HA H 4.355 0.05 1 1124 108 108 SER HB2 H 3.855 0.05 2 1125 108 108 SER HB3 H 3.855 0.05 2 1126 108 108 SER C C 177.300 0.3 1 1127 108 108 SER CA C 58.784 0.3 1 1128 108 108 SER CB C 63.711 0.3 1 1129 108 108 SER N N 117.584 0.3 1 1130 109 109 VAL H H 7.739 0.05 1 1131 109 109 VAL HA H 4.010 0.05 1 1132 109 109 VAL HB H 2.068 0.05 1 1133 109 109 VAL HG1 H 0.858 0.05 2 1134 109 109 VAL HG2 H 0.870 0.05 2 1135 109 109 VAL C C 169.950 0.3 1 1136 109 109 VAL CA C 63.490 0.3 1 1137 109 109 VAL CB C 33.201 0.3 1 1138 109 109 VAL CG1 C 17.230 0.3 1 1139 109 109 VAL CG2 C 17.230 0.3 1 1140 109 109 VAL N N 125.378 0.3 1 stop_ save_