data_4360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for the C2B-domain of Rabphilin 3 ; _BMRB_accession_number 4360 _BMRB_flat_file_name bmr4360.str _Entry_type original _Submission_date 1999-06-18 _Accession_date 1999-06-21 _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 Ubach Josep . . 2 Garcia Jesus . . 3 Nittler 'M. Paige' . . 4 Sudhof Thomas . . 5 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 882 "13C chemical shifts" 561 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-09-10 original author . stop_ _Original_release_date 1999-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Ubach, J., Garcia, J., Nittler, M.P., Sudhof, T., and Rizo, J., "Structure of the Janus-faced C2B Domain of Rabphilin," Nature Cell Biol. 1, 106-112 (1999). ; _Citation_title 'Structure of the Janus-faced C2B Domain of Rabphilin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ubach Josep . . 2 Garcia Jesus . . 3 Nittler 'M. Paige' . . 4 Sudhof Thomas . . 5 Rizo Josep . . stop_ _Journal_abbreviation 'Nature Cell Biol.' _Journal_name_full 'Nature Cell Biology' _Journal_volume 1 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 106 _Page_last 112 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_system_rabphilin_3_C2B _Saveframe_category molecular_system _Mol_system_name system_rabphilin_3_C2B _Abbreviation_common system_rabphilin_3_C2B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rabphilin_3_C2B $r3b stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_r3b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rabphilin_3_C2B _Abbreviation_common rabphilin_3_C2B _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; RGKILVSLMYSTQQGGLIVG IIRCVHLAAMDANGYSDPFV KLWLKPDMGKKAKHKTQIKK KTLNPEFNEEFFYDIKHSDL AKKSLDISVWDYDIGKSNDY IGGCQLGISAKGERLKHWYE CLKNKDKKIERWHQLQNENH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 LYS 4 ILE 5 LEU 6 VAL 7 SER 8 LEU 9 MET 10 TYR 11 SER 12 THR 13 GLN 14 GLN 15 GLY 16 GLY 17 LEU 18 ILE 19 VAL 20 GLY 21 ILE 22 ILE 23 ARG 24 CYS 25 VAL 26 HIS 27 LEU 28 ALA 29 ALA 30 MET 31 ASP 32 ALA 33 ASN 34 GLY 35 TYR 36 SER 37 ASP 38 PRO 39 PHE 40 VAL 41 LYS 42 LEU 43 TRP 44 LEU 45 LYS 46 PRO 47 ASP 48 MET 49 GLY 50 LYS 51 LYS 52 ALA 53 LYS 54 HIS 55 LYS 56 THR 57 GLN 58 ILE 59 LYS 60 LYS 61 LYS 62 THR 63 LEU 64 ASN 65 PRO 66 GLU 67 PHE 68 ASN 69 GLU 70 GLU 71 PHE 72 PHE 73 TYR 74 ASP 75 ILE 76 LYS 77 HIS 78 SER 79 ASP 80 LEU 81 ALA 82 LYS 83 LYS 84 SER 85 LEU 86 ASP 87 ILE 88 SER 89 VAL 90 TRP 91 ASP 92 TYR 93 ASP 94 ILE 95 GLY 96 LYS 97 SER 98 ASN 99 ASP 100 TYR 101 ILE 102 GLY 103 GLY 104 CYS 105 GLN 106 LEU 107 GLY 108 ILE 109 SER 110 ALA 111 LYS 112 GLY 113 GLU 114 ARG 115 LEU 116 LYS 117 HIS 118 TRP 119 TYR 120 GLU 121 CYS 122 LEU 123 LYS 124 ASN 125 LYS 126 ASP 127 LYS 128 LYS 129 ILE 130 GLU 131 ARG 132 TRP 133 HIS 134 GLN 135 LEU 136 GLN 137 ASN 138 GLU 139 ASN 140 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2CM5 "Crystal Structure Of The C2b Domain Of Rabphilin" 100.00 166 97.86 97.86 4.37e-95 PDB 2CM6 "Crystal Structure Of The C2b Domain Of Rabphilin3a" 100.00 166 100.00 100.00 2.78e-98 PDB 3RPB "The C2b-Domain Of Rabphilin: Structural Variations In A Janus-Faced Domain" 100.00 140 100.00 100.00 8.59e-98 GB EPQ01947 "Rabphilin-3A [Myotis brandtii]" 50.71 76 100.00 100.00 3.66e-43 REF XP_003907251 "PREDICTED: rabphilin-3A [Papio anubis]" 100.00 173 100.00 100.00 1.22e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $r3b 'Norway 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 $r3b 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $r3b 1.2 mM '[U-99% 15N]' stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $r3b 0.8 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $r3b 1.0 mM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name NMRview _Version 3.1 loop_ _Task peak-picking stop_ _Details . save_ save_software_two _Saveframe_category software _Name NMRpipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model '600 INOVA' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label $sample_one save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_one save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_one save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_one save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_one save_ save_1H-15N_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label $sample_one save_ save_1H-15N_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label $sample_one save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_one save_ save_(H)CBCACO(CA)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CBCACO(CA)HA _Sample_label $sample_one save_ save_(H)C(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label $sample_one save_ save_H(C)(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)(CO)NH-TOCSY _Sample_label $sample_one save_ save_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_one save_ save_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 n/a temperature 304 .5 K 'ionic strength' 0.17 . . stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl carbons' ppm 0 external direct cylindrical external_to_the_sample parallel_to_Bo . nitromethane N 15 nitrogen ppm -379.6 external direct cylindrical external_to_the_sample parallel_to_Bo . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name rabphilin_3_C2B _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ARG H H 8.58 0.02 1 2 . 1 ARG HA H 4.31 0.02 1 3 . 1 ARG C C 173.93 0.05 1 4 . 1 ARG CA C 55.53 0.3 1 5 . 1 ARG CB C 31.09 0.3 1 6 . 1 ARG CG C 27.58 0.3 1 7 . 1 ARG CD C 42.64 0.3 1 8 . 1 ARG N N 123 0.1 1 9 . 2 GLY H H 7.59 0.02 1 10 . 2 GLY HA2 H 3.83 0.02 2 11 . 2 GLY HA3 H 4.41 0.02 2 12 . 2 GLY C C 172.92 0.05 1 13 . 2 GLY CA C 45.02 0.3 1 14 . 2 GLY N N 104.94 0.1 1 15 . 3 LYS H H 8.35 0.02 1 16 . 3 LYS HA H 5.47 0.02 1 17 . 3 LYS HB2 H 1.59 0.02 2 18 . 3 LYS HB3 H 1.95 0.02 2 19 . 3 LYS HG2 H 1.33 0.02 2 20 . 3 LYS HG3 H 1.43 0.02 2 21 . 3 LYS HD2 H 1.23 0.02 2 22 . 3 LYS HD3 H 1.35 0.02 2 23 . 3 LYS C C 175.07 0.05 1 24 . 3 LYS CA C 55.18 0.3 1 25 . 3 LYS CB C 38.45 0.3 1 26 . 3 LYS CG C 25.65 0.3 1 27 . 3 LYS CD C 30.25 0.3 1 28 . 3 LYS CE C 42.2 0.3 1 29 . 3 LYS N N 115.2 0.1 1 30 . 4 ILE H H 9.45 0.02 1 31 . 4 ILE HA H 5.32 0.02 1 32 . 4 ILE HB H 1.52 0.02 1 33 . 4 ILE HG12 H 1 0.02 2 34 . 4 ILE HG13 H 1.87 0.02 2 35 . 4 ILE HG2 H 1.01 0.02 1 36 . 4 ILE HD1 H 0.67 0.02 1 37 . 4 ILE C C 170.4 0.05 1 38 . 4 ILE CA C 59.12 0.3 1 39 . 4 ILE CB C 44.34 0.3 1 40 . 4 ILE CG1 C 28.58 0.3 1 41 . 4 ILE CG2 C 15.3 0.3 1 42 . 4 ILE CD1 C 15.6 0.3 1 43 . 4 ILE N N 120.54 0.1 1 44 . 5 LEU H H 8.47 0.02 1 45 . 5 LEU HA H 4.14 0.02 1 46 . 5 LEU HB2 H -1.44 0.02 2 47 . 5 LEU HB3 H 1.01 0.02 2 48 . 5 LEU HG H 0.76 0.02 1 49 . 5 LEU HD1 H -0.49 0.02 1 50 . 5 LEU HD2 H 0.35 0.02 1 51 . 5 LEU C C 173.94 0.05 1 52 . 5 LEU CA C 54.36 0.3 1 53 . 5 LEU CB C 41.46 0.3 1 54 . 5 LEU CD1 C 20.36 0.3 1 55 . 5 LEU CD2 C 26.16 0.3 1 56 . 5 LEU N N 130.87 0.1 1 57 . 6 VAL H H 8.17 0.02 1 58 . 6 VAL HA H 5.06 0.02 1 59 . 6 VAL HB H 2.12 0.02 1 60 . 6 VAL HG1 H 0.95 0.02 1 61 . 6 VAL HG2 H 1.03 0.02 1 62 . 6 VAL C C 175.08 0.05 1 63 . 6 VAL CA C 59.91 0.3 1 64 . 6 VAL CB C 36.89 0.3 1 65 . 6 VAL CG1 C 21.25 0.3 1 66 . 6 VAL CG2 C 22.96 0.3 1 67 . 6 VAL N N 126.89 0.1 1 68 . 7 SER H H 9.98 0.02 1 69 . 7 SER HA H 5.59 0.02 1 70 . 7 SER HB2 H 3.71 0.02 1 71 . 7 SER HB3 H 3.71 0.02 1 72 . 7 SER C C 172.99 0.05 1 73 . 7 SER CA C 56.11 0.3 1 74 . 7 SER CB C 66.64 0.3 1 75 . 7 SER N N 122.6 0.1 1 76 . 8 LEU H H 8.58 0.02 1 77 . 8 LEU HA H 5.18 0.02 1 78 . 8 LEU HB2 H 1.5 0.02 2 79 . 8 LEU HB3 H 1.73 0.02 2 80 . 8 LEU HG H 1.17 0.02 1 81 . 8 LEU HD1 H 0.33 0.02 1 82 . 8 LEU HD2 H 0.96 0.02 1 83 . 8 LEU C C 175.64 0.05 1 84 . 8 LEU CA C 53.96 0.3 1 85 . 8 LEU CB C 46.72 0.3 1 86 . 8 LEU CD1 C 25.39 0.3 1 87 . 8 LEU CD2 C 25 0.3 1 88 . 8 LEU N N 122.94 0.1 1 89 . 9 MET H H 8.09 0.02 1 90 . 9 MET HA H 4.68 0.02 1 91 . 9 MET HB2 H 1.85 0.02 2 92 . 9 MET HB3 H 1.93 0.02 2 93 . 9 MET HG2 H 2.14 0.02 1 94 . 9 MET HG3 H 2.14 0.02 1 95 . 9 MET HE H 2.07 0.02 1 96 . 9 MET C C 173.99 0.05 1 97 . 9 MET CA C 55.94 0.3 1 98 . 9 MET CB C 38.62 0.3 1 99 . 9 MET CG C 31.84 0.3 1 100 . 9 MET CE C 17.4 0.3 1 101 . 9 MET N N 119.51 0.1 1 102 . 10 TYR H H 9.99 0.02 1 103 . 10 TYR HA H 4.53 0.02 1 104 . 10 TYR HB2 H 2.38 0.02 2 105 . 10 TYR HB3 H 2.94 0.02 2 106 . 10 TYR HD1 H 6.58 0.02 1 107 . 10 TYR HD2 H 6.58 0.02 1 108 . 10 TYR HE1 H 6.72 0.02 1 109 . 10 TYR HE2 H 6.72 0.02 1 110 . 10 TYR C C 174.18 0.05 1 111 . 10 TYR CA C 59.09 0.3 1 112 . 10 TYR CB C 39.36 0.3 1 113 . 10 TYR N N 130.84 0.1 1 114 . 11 SER H H 8.41 0.02 1 115 . 11 SER HA H 5.11 0.02 1 116 . 11 SER HB2 H 3.64 0.02 2 117 . 11 SER HB3 H 3.67 0.02 2 118 . 11 SER C C 175.71 0.05 1 119 . 11 SER CA C 55.06 0.3 1 120 . 11 SER CB C 64.41 0.3 1 121 . 11 SER N N 123.46 0.1 1 122 . 12 THR H H 10.63 0.02 1 123 . 12 THR HA H 4.24 0.02 1 124 . 12 THR HB H 4.3 0.02 1 125 . 12 THR HG2 H 1.41 0.02 1 126 . 12 THR C C 177.6 0.05 1 127 . 12 THR CA C 65.49 0.3 1 128 . 12 THR CB C 68.86 0.3 1 129 . 12 THR CG2 C 22.71 0.3 1 130 . 12 THR N N 127.24 0.1 1 131 . 13 GLN H H 8.14 0.02 1 132 . 13 GLN HA H 4.05 0.02 1 133 . 13 GLN HB2 H 1.92 0.02 2 134 . 13 GLN HB3 H 1.98 0.02 2 135 . 13 GLN HG2 H 2.28 0.02 2 136 . 13 GLN HG3 H 2.36 0.02 2 137 . 13 GLN HE21 H 6.75 0.02 2 138 . 13 GLN HE22 H 7.45 0.02 2 139 . 13 GLN C C 177.61 0.05 1 140 . 13 GLN CA C 58.91 0.3 1 141 . 13 GLN CB C 29.14 0.3 1 142 . 13 GLN CG C 34.29 0.3 1 143 . 13 GLN N N 121.91 0.1 1 144 . 13 GLN NE2 N 112.7 0.1 1 145 . 14 GLN H H 7.76 0.02 1 146 . 14 GLN HA H 4.14 0.02 1 147 . 14 GLN HB2 H 1.48 0.02 2 148 . 14 GLN HB3 H 1.92 0.02 2 149 . 14 GLN HG2 H 2.05 0.02 1 150 . 14 GLN HG3 H 2.05 0.02 1 151 . 14 GLN HE21 H 6.41 0.02 2 152 . 14 GLN HE22 H 6.78 0.02 2 153 . 14 GLN C C 176.37 0.05 1 154 . 14 GLN CA C 56.65 0.3 1 155 . 14 GLN CB C 30.51 0.3 1 156 . 14 GLN CG C 35.22 0.3 1 157 . 14 GLN N N 114.53 0.1 1 158 . 14 GLN NE2 N 110.3 0.1 1 159 . 15 GLY H H 7.95 0.02 1 160 . 15 GLY HA2 H 3.95 0.02 1 161 . 15 GLY HA3 H 3.95 0.02 1 162 . 15 GLY C C 174.9 0.05 1 163 . 15 GLY CA C 47.3 0.3 1 164 . 15 GLY N N 110.75 0.1 1 165 . 16 GLY H H 7.29 0.02 1 166 . 16 GLY HA2 H 4.26 0.02 2 167 . 16 GLY HA3 H 4.35 0.02 2 168 . 16 GLY C C 180.11 0.05 1 169 . 16 GLY CA C 47.13 0.3 1 170 . 16 GLY N N 103.63 0.1 1 171 . 17 LEU H H 8.19 0.02 1 172 . 17 LEU HA H 4.55 0.02 1 173 . 17 LEU HB2 H 1.15 0.02 2 174 . 17 LEU HB3 H 1.81 0.02 2 175 . 17 LEU HG H 1.4 0.02 1 176 . 17 LEU HD1 H 0.71 0.02 1 177 . 17 LEU HD2 H 0.74 0.02 1 178 . 17 LEU C C 174.02 0.05 1 179 . 17 LEU CA C 53.42 0.3 1 180 . 17 LEU CB C 47.04 0.3 1 181 . 17 LEU CD1 C 23.69 0.3 1 182 . 17 LEU CD2 C 26.67 0.3 1 183 . 17 LEU N N 120.54 0.1 1 184 . 18 ILE H H 9.41 0.02 1 185 . 18 ILE HA H 4.95 0.02 1 186 . 18 ILE HB H 1.78 0.02 1 187 . 18 ILE HG12 H 1.19 0.02 2 188 . 18 ILE HG13 H 1.61 0.02 2 189 . 18 ILE HG2 H 0.69 0.02 1 190 . 18 ILE HD1 H 0.85 0.02 1 191 . 18 ILE C C 176.66 0.05 1 192 . 18 ILE CA C 61.03 0.3 1 193 . 18 ILE CB C 39.59 0.3 1 194 . 18 ILE CG1 C 29.28 0.3 1 195 . 18 ILE CG2 C 18.92 0.3 1 196 . 18 ILE CD1 C 15.6 0.3 1 197 . 18 ILE N N 127.24 0.1 1 198 . 19 VAL H H 9.34 0.02 1 199 . 19 VAL HA H 4.85 0.02 1 200 . 19 VAL HB H 2.07 0.02 1 201 . 19 VAL HG1 H 0.94 0.02 1 202 . 19 VAL HG2 H 1.02 0.02 1 203 . 19 VAL C C 174.88 0.05 1 204 . 19 VAL CA C 60.42 0.3 1 205 . 19 VAL CB C 34.39 0.3 1 206 . 19 VAL CG1 C 22.02 0.3 1 207 . 19 VAL CG2 C 21.68 0.3 1 208 . 19 VAL N N 130.33 0.1 1 209 . 20 GLY H H 9.85 0.02 1 210 . 20 GLY HA2 H 3.68 0.02 2 211 . 20 GLY HA3 H 5.02 0.02 2 212 . 20 GLY C C 173.02 0.05 1 213 . 20 GLY CA C 44.49 0.3 1 214 . 20 GLY N N 117.11 0.1 1 215 . 21 ILE H H 8.97 0.02 1 216 . 21 ILE HA H 4.45 0.02 1 217 . 21 ILE HB H 2.16 0.02 1 218 . 21 ILE HG12 H 1.12 0.02 2 219 . 21 ILE HG13 H 1.73 0.02 2 220 . 21 ILE HG2 H 0.65 0.02 1 221 . 21 ILE HD1 H 0.74 0.02 1 222 . 21 ILE C C 174.45 0.05 1 223 . 21 ILE CA C 57.73 0.3 1 224 . 21 ILE CB C 35.38 0.3 1 225 . 21 ILE CG1 C 26.52 0.3 1 226 . 21 ILE CG2 C 18.07 0.3 1 227 . 21 ILE CD1 C 9.87 0.3 1 228 . 21 ILE N N 126.21 0.1 1 229 . 22 ILE H H 8.23 0.02 1 230 . 22 ILE HA H 3.93 0.02 1 231 . 22 ILE HB H 1.55 0.02 1 232 . 22 ILE HG12 H 1.16 0.02 2 233 . 22 ILE HG13 H 1.34 0.02 2 234 . 22 ILE HG2 H 0.89 0.02 1 235 . 22 ILE HD1 H 0.62 0.02 1 236 . 22 ILE C C 176.93 0.05 1 237 . 22 ILE CA C 65.87 0.3 1 238 . 22 ILE CB C 37.58 0.3 1 239 . 22 ILE CG1 C 28.6 0.3 1 240 . 22 ILE CG2 C 18.76 0.3 1 241 . 22 ILE CD1 C 13.02 0.3 1 242 . 22 ILE N N 126.55 0.1 1 243 . 23 ARG H H 7.39 0.02 1 244 . 23 ARG HA H 5.25 0.02 1 245 . 23 ARG HB2 H 2.21 0.02 2 246 . 23 ARG HB3 H 2.33 0.02 2 247 . 23 ARG HG2 H 1.29 0.02 1 248 . 23 ARG HG3 H 1.29 0.02 1 249 . 23 ARG HD2 H 3.23 0.02 2 250 . 23 ARG HD3 H 3.38 0.02 2 251 . 23 ARG C C 173.57 0.05 1 252 . 23 ARG CA C 55.14 0.3 1 253 . 23 ARG CB C 32.41 0.3 1 254 . 23 ARG CG C 26.8 0.3 1 255 . 23 ARG CD C 43.13 0.3 1 256 . 23 ARG N N 110.75 0.1 1 257 . 24 CYS H H 8.81 0.02 1 258 . 24 CYS HA H 5.87 0.02 1 259 . 24 CYS HB2 H 2.49 0.02 2 260 . 24 CYS HB3 H 3.26 0.02 2 261 . 24 CYS C C 173.39 0.05 1 262 . 24 CYS CA C 57.25 0.3 1 263 . 24 CYS CB C 32.96 0.3 1 264 . 24 CYS N N 114.36 0.1 1 265 . 25 VAL H H 8.7 0.02 1 266 . 25 VAL HA H 5.2 0.02 1 267 . 25 VAL HB H 1.68 0.02 1 268 . 25 VAL HG1 H 0.79 0.02 1 269 . 25 VAL HG2 H 0.6 0.02 1 270 . 25 VAL C C 174.19 0.05 1 271 . 25 VAL CA C 59.61 0.3 1 272 . 25 VAL CB C 36.77 0.3 1 273 . 25 VAL CG1 C 22.5 0.3 1 274 . 25 VAL CG2 C 20.32 0.3 1 275 . 25 VAL N N 113.84 0.1 1 276 . 26 HIS H H 8.58 0.02 1 277 . 26 HIS HA H 4.12 0.02 1 278 . 26 HIS HB2 H 3.11 0.02 2 279 . 26 HIS HB3 H 3.31 0.02 2 280 . 26 HIS HD2 H 7.17 0.02 1 281 . 26 HIS HE1 H 8.44 0.02 1 282 . 26 HIS C C 173.59 0.05 1 283 . 26 HIS CA C 55.53 0.3 1 284 . 26 HIS CB C 27.59 0.3 1 285 . 26 HIS N N 117.45 0.1 1 286 . 27 LEU H H 8.57 0.02 1 287 . 27 LEU HA H 4.51 0.02 1 288 . 27 LEU HB2 H 1.32 0.02 2 289 . 27 LEU HB3 H 1.67 0.02 2 290 . 27 LEU HG H 1.61 0.02 1 291 . 27 LEU HD1 H 0.71 0.02 1 292 . 27 LEU HD2 H 0.92 0.02 1 293 . 27 LEU C C 176.89 0.05 1 294 . 27 LEU CA C 55.05 0.3 1 295 . 27 LEU CB C 43.32 0.3 1 296 . 27 LEU CD1 C 27.62 0.3 1 297 . 27 LEU CD2 C 23.36 0.3 1 298 . 27 LEU N N 114.87 0.1 1 299 . 28 ALA H H 6.34 0.02 1 300 . 28 ALA HA H 4.05 0.02 1 301 . 28 ALA HB H 1.21 0.02 1 302 . 28 ALA C C 176.46 0.05 1 303 . 28 ALA CA C 52.52 0.3 1 304 . 28 ALA CB C 19.94 0.3 1 305 . 28 ALA N N 120.03 0.1 1 306 . 29 ALA H H 8.19 0.02 1 307 . 29 ALA HA H 3.94 0.02 1 308 . 29 ALA HB H 1.1 0.02 1 309 . 29 ALA C C 177.56 0.05 1 310 . 29 ALA CA C 51.79 0.3 1 311 . 29 ALA CB C 19.33 0.3 1 312 . 29 ALA N N 124.49 0.1 1 313 . 30 MET H H 7.94 0.02 1 314 . 30 MET HA H 4.87 0.02 1 315 . 30 MET HB2 H 1.8 0.02 2 316 . 30 MET HB3 H 2.56 0.02 2 317 . 30 MET HG2 H 2 0.02 2 318 . 30 MET HG3 H 2.25 0.02 2 319 . 30 MET HE H 2 0.02 1 320 . 30 MET C C 175.89 0.05 1 321 . 30 MET CA C 53.63 0.3 1 322 . 30 MET CB C 32.4 0.3 1 323 . 30 MET CG C 32.91 0.3 1 324 . 30 MET CE C 17.8 0.3 1 325 . 30 MET N N 121.23 0.1 1 326 . 31 ASP H H 8.38 0.02 1 327 . 31 ASP HA H 5.38 0.02 1 328 . 31 ASP HB2 H 2.78 0.02 2 329 . 31 ASP HB3 H 3.09 0.02 2 330 . 31 ASP C C 176.9 0.05 1 331 . 31 ASP CA C 53.51 0.3 1 332 . 31 ASP CB C 44.11 0.3 1 333 . 31 ASP N N 124.32 0.1 1 334 . 32 ALA HA H 4.1 0.02 1 335 . 32 ALA HB H 1.45 0.02 1 336 . 32 ALA C C 176.92 0.05 1 337 . 32 ALA CA C 54.49 0.3 1 338 . 32 ALA CB C 18.77 0.3 1 339 . 33 ASN H H 7.65 0.02 1 340 . 33 ASN HA H 4.45 0.02 1 341 . 33 ASN HB2 H 2.92 0.02 2 342 . 33 ASN HB3 H 3.28 0.02 2 343 . 33 ASN HD21 H 7.54 0.02 1 344 . 33 ASN HD22 H 7.45 0.02 2 345 . 33 ASN C C 175.63 0.05 1 346 . 33 ASN CA C 53.14 0.3 1 347 . 33 ASN CB C 37.72 0.3 1 348 . 33 ASN N N 114.19 0.1 1 349 . 33 ASN ND2 N 108.25 0.1 1 350 . 34 GLY H H 7.81 0.02 1 351 . 34 GLY HA2 H 3.44 0.02 2 352 . 34 GLY HA3 H 3.95 0.02 2 353 . 34 GLY C C 172.76 0.05 1 354 . 34 GLY CA C 45.49 0.3 1 355 . 34 GLY N N 106.6 0.1 1 356 . 35 TYR H H 7.98 0.02 1 357 . 35 TYR HA H 4.73 0.02 1 358 . 35 TYR HB2 H 2.85 0.02 1 359 . 35 TYR HB3 H 2.85 0.02 1 360 . 35 TYR HD1 H 6.68 0.02 1 361 . 35 TYR HD2 H 6.68 0.02 1 362 . 35 TYR HE1 H 6.81 0.02 1 363 . 35 TYR HE2 H 6.81 0.02 1 364 . 35 TYR C C 171.94 0.05 1 365 . 35 TYR CA C 56.94 0.3 1 366 . 35 TYR CB C 41.79 0.3 1 367 . 35 TYR N N 118.99 0.1 1 368 . 36 SER H H 6.93 0.02 1 369 . 36 SER HA H 4.6 0.02 1 370 . 36 SER HB2 H 3.54 0.02 2 371 . 36 SER HB3 H 3.7 0.02 2 372 . 36 SER C C 170.58 0.05 1 373 . 36 SER CA C 58.16 0.3 1 374 . 36 SER CB C 70.19 0.3 1 375 . 36 SER N N 113.16 0.1 1 376 . 37 ASP H H 9.2 0.02 1 377 . 37 ASP HA H 6.06 0.02 1 378 . 37 ASP HB2 H 2.66 0.02 2 379 . 37 ASP HB3 H 3.77 0.02 2 380 . 37 ASP C C 173.5 0.05 1 381 . 37 ASP CA C 52.62 0.3 1 382 . 37 ASP CB C 43.13 0.3 1 383 . 37 ASP N N 122.26 0.1 1 384 . 38 PRO HA H 5.92 0.02 1 385 . 38 PRO HB2 H 1.73 0.02 2 386 . 38 PRO HB3 H 1.89 0.02 2 387 . 38 PRO HG2 H 1.59 0.02 1 388 . 38 PRO HG3 H 1.59 0.02 1 389 . 38 PRO HD2 H 3.65 0.02 2 390 . 38 PRO HD3 H 3.96 0.02 2 391 . 38 PRO C C 176.49 0.05 1 392 . 38 PRO CA C 63.13 0.3 1 393 . 38 PRO CB C 34.9 0.3 1 394 . 38 PRO CG C 29.24 0.3 1 395 . 38 PRO CD C 51.89 0.3 1 396 . 39 PHE H H 8.95 0.02 1 397 . 39 PHE HA H 4.88 0.02 1 398 . 39 PHE HB2 H 2.77 0.02 2 399 . 39 PHE HB3 H 3.19 0.02 2 400 . 39 PHE HD1 H 7.18 0.02 1 401 . 39 PHE HD2 H 7.18 0.02 1 402 . 39 PHE HE1 H 6.98 0.02 1 403 . 39 PHE HE2 H 6.98 0.02 1 404 . 39 PHE HZ H 7.04 0.02 1 405 . 39 PHE C C 171.59 0.05 1 406 . 39 PHE CA C 56.57 0.3 1 407 . 39 PHE CB C 42.87 0.3 1 408 . 39 PHE N N 114.36 0.1 1 409 . 40 VAL H H 8.51 0.02 1 410 . 40 VAL HA H 4.96 0.02 1 411 . 40 VAL HB H 1.57 0.02 1 412 . 40 VAL HG1 H 0.69 0.02 1 413 . 40 VAL HG2 H 0.39 0.02 1 414 . 40 VAL C C 174.65 0.05 1 415 . 40 VAL CA C 61 0.3 1 416 . 40 VAL CB C 34.01 0.3 1 417 . 40 VAL CG1 C 22.4 0.3 1 418 . 40 VAL CG2 C 22.6 0.3 1 419 . 40 VAL N N 121.23 0.1 1 420 . 41 LYS H H 9.66 0.02 1 421 . 41 LYS HA H 5.03 0.02 1 422 . 41 LYS HB2 H 1.87 0.02 2 423 . 41 LYS HB3 H 2.14 0.02 2 424 . 41 LYS HG2 H 1.34 0.02 2 425 . 41 LYS HG3 H 1.45 0.02 2 426 . 41 LYS HD2 H 1.49 0.02 1 427 . 41 LYS HD3 H 1.49 0.02 1 428 . 41 LYS HE2 H 2.37 0.02 2 429 . 41 LYS HE3 H 2.7 0.02 2 430 . 41 LYS C C 175.01 0.05 1 431 . 41 LYS CA C 55.82 0.3 1 432 . 41 LYS CB C 35.72 0.3 1 433 . 41 LYS CG C 26.26 0.3 1 434 . 41 LYS CD C 30.26 0.3 1 435 . 41 LYS CE C 42.12 0.3 1 436 . 41 LYS N N 125.69 0.1 1 437 . 42 LEU H H 8.89 0.02 1 438 . 42 LEU HA H 5.38 0.02 1 439 . 42 LEU HB2 H 1.48 0.02 2 440 . 42 LEU HB3 H 1.68 0.02 2 441 . 42 LEU HG H 1.48 0.02 1 442 . 42 LEU HD1 H 0.51 0.02 1 443 . 42 LEU HD2 H 0.65 0.02 1 444 . 42 LEU C C 176.09 0.05 1 445 . 42 LEU CA C 54.59 0.3 1 446 . 42 LEU CB C 45.94 0.3 1 447 . 42 LEU CD1 C 26.57 0.3 1 448 . 42 LEU CD2 C 27.06 0.3 1 449 . 42 LEU N N 123.12 0.1 1 450 . 43 TRP H H 8.82 0.02 1 451 . 43 TRP HA H 5.45 0.02 1 452 . 43 TRP HB2 H 3.07 0.02 2 453 . 43 TRP HB3 H 3.4 0.02 2 454 . 43 TRP HD1 H 6.94 0.02 1 455 . 43 TRP HE1 H 10.56 0.02 1 456 . 43 TRP HE3 H 7.59 0.02 1 457 . 43 TRP HZ2 H 7.46 0.02 1 458 . 43 TRP HZ3 H 7.11 0.02 1 459 . 43 TRP HH2 H 7.21 0.02 1 460 . 43 TRP C C 173.5 0.05 1 461 . 43 TRP CA C 55.05 0.3 1 462 . 43 TRP CB C 32.87 0.3 1 463 . 43 TRP N N 124.32 0.1 1 464 . 43 TRP NE1 N 129.2 0.1 1 465 . 44 LEU H H 8.34 0.02 1 466 . 44 LEU HA H 4.78 0.02 1 467 . 44 LEU HB2 H 0.33 0.02 2 468 . 44 LEU HB3 H 1.56 0.02 2 469 . 44 LEU HG H 1.1 0.02 1 470 . 44 LEU HD1 H 0.53 0.02 1 471 . 44 LEU HD2 H 0.35 0.02 1 472 . 44 LEU C C 173.53 0.05 1 473 . 44 LEU CA C 54.07 0.3 1 474 . 44 LEU CB C 42.94 0.3 1 475 . 44 LEU CD1 C 24.53 0.3 1 476 . 44 LEU CD2 C 26.63 0.3 1 477 . 44 LEU N N 129.94 0.1 1 478 . 45 LYS H H 8.52 0.02 1 479 . 45 LYS HA H 4.17 0.02 1 480 . 45 LYS HB2 H 0.84 0.02 2 481 . 45 LYS HB3 H 1.07 0.02 2 482 . 45 LYS HG2 H 0.22 0.02 2 483 . 45 LYS HG3 H 0.54 0.02 2 484 . 45 LYS HD2 H 0.65 0.02 2 485 . 45 LYS HD3 H 0.77 0.02 2 486 . 45 LYS C C 173.47 0.05 1 487 . 45 LYS CA C 54.27 0.3 1 488 . 45 LYS CB C 34.1 0.3 1 489 . 45 LYS CG C 23.7 0.3 1 490 . 45 LYS CD C 29.4 0.3 1 491 . 45 LYS CE C 42 0.3 1 492 . 45 LYS N N 126.89 0.1 1 493 . 46 PRO HA H 4.43 0.02 1 494 . 46 PRO HB2 H 2.14 0.02 1 495 . 46 PRO HB3 H 2.14 0.02 1 496 . 46 PRO HG2 H 1.7 0.02 2 497 . 46 PRO HG3 H 1.88 0.02 2 498 . 46 PRO HD2 H 3.38 0.02 2 499 . 46 PRO HD3 H 3.56 0.02 2 500 . 46 PRO C C 176.05 0.05 1 501 . 46 PRO CA C 63.18 0.3 1 502 . 46 PRO CB C 34.63 0.3 1 503 . 46 PRO CG C 24.61 0.3 1 504 . 46 PRO CD C 49.94 0.3 1 505 . 47 ASP H H 8.51 0.02 1 506 . 47 ASP HA H 4.49 0.02 1 507 . 47 ASP HB2 H 2.85 0.02 1 508 . 47 ASP HB3 H 2.85 0.02 1 509 . 47 ASP C C 176 0.05 1 510 . 47 ASP CA C 56.2 0.3 1 511 . 47 ASP CB C 41.02 0.3 1 512 . 47 ASP N N 120.03 0.1 1 513 . 48 MET H H 8.89 0.02 1 514 . 48 MET HA H 4.8 0.02 1 515 . 48 MET HB2 H 2.04 0.02 2 516 . 48 MET HB3 H 2.13 0.02 2 517 . 48 MET HG2 H 2.4 0.02 2 518 . 48 MET HG3 H 2.5 0.02 2 519 . 48 MET HE H 2.07 0.02 1 520 . 48 MET C C 177.66 0.05 1 521 . 48 MET CA C 54.59 0.3 1 522 . 48 MET CB C 31.7 0.3 1 523 . 48 MET CG C 32.3 0.3 1 524 . 48 MET CE C 16.7 0.3 1 525 . 48 MET N N 118.48 0.1 1 526 . 49 GLY H H 8.53 0.02 1 527 . 49 GLY HA2 H 3.95 0.02 2 528 . 49 GLY HA3 H 4.1 0.02 2 529 . 49 GLY C C 175.51 0.05 1 530 . 49 GLY CA C 46.07 0.3 1 531 . 49 GLY N N 109.89 0.1 1 532 . 50 LYS H H 8.58 0.02 1 533 . 50 LYS HA H 4.12 0.02 1 534 . 50 LYS HB2 H 1.89 0.02 1 535 . 50 LYS HB3 H 1.89 0.02 1 536 . 50 LYS HG2 H 1.5 0.02 1 537 . 50 LYS HG3 H 1.5 0.02 1 538 . 50 LYS HD2 H 1.71 0.02 1 539 . 50 LYS HD3 H 1.71 0.02 1 540 . 50 LYS HE2 H 3.01 0.02 1 541 . 50 LYS HE3 H 3.01 0.02 1 542 . 50 LYS C C 177.87 0.05 1 543 . 50 LYS CA C 58.6 0.3 1 544 . 50 LYS CB C 32.81 0.3 1 545 . 50 LYS CG C 25.45 0.3 1 546 . 50 LYS CD C 29.56 0.3 1 547 . 50 LYS N N 122.6 0.1 1 548 . 51 LYS H H 8.23 0.02 1 549 . 51 LYS HA H 4.4 0.02 1 550 . 51 LYS HB2 H 1.91 0.02 2 551 . 51 LYS HB3 H 2.12 0.02 2 552 . 51 LYS HG2 H 1.51 0.02 1 553 . 51 LYS HG3 H 1.51 0.02 1 554 . 51 LYS HD2 H 1.8 0.02 1 555 . 51 LYS HD3 H 1.8 0.02 1 556 . 51 LYS HE2 H 3.09 0.02 1 557 . 51 LYS HE3 H 3.09 0.02 1 558 . 51 LYS C C 176.29 0.05 1 559 . 51 LYS CA C 56.8 0.3 1 560 . 51 LYS CB C 32.4 0.3 1 561 . 51 LYS CG C 25.6 0.3 1 562 . 51 LYS CD C 29.69 0.3 1 563 . 51 LYS N N 118.31 0.1 1 564 . 52 ALA H H 7.59 0.02 1 565 . 52 ALA HA H 4.44 0.02 1 566 . 52 ALA HB H 1.72 0.02 1 567 . 52 ALA C C 178.44 0.05 1 568 . 52 ALA CA C 54.47 0.3 1 569 . 52 ALA CB C 21.64 0.3 1 570 . 52 ALA N N 120.88 0.1 1 571 . 53 LYS H H 7.73 0.02 1 572 . 53 LYS HA H 5.39 0.02 1 573 . 53 LYS HB2 H 1.48 0.02 2 574 . 53 LYS HB3 H 1.7 0.02 2 575 . 53 LYS HG2 H 0.92 0.02 2 576 . 53 LYS HG3 H 1 0.02 2 577 . 53 LYS HD2 H 1.14 0.02 1 578 . 53 LYS HD3 H 1.14 0.02 1 579 . 53 LYS HE2 H 1.62 0.02 2 580 . 53 LYS HE3 H 1.97 0.02 2 581 . 53 LYS C C 174.98 0.05 1 582 . 53 LYS CA C 55.87 0.3 1 583 . 53 LYS CB C 35.92 0.3 1 584 . 53 LYS CG C 25.75 0.3 1 585 . 53 LYS CD C 29.8 0.3 1 586 . 53 LYS CE C 41.67 0.3 1 587 . 53 LYS N N 120.54 0.1 1 588 . 54 HIS H H 8.48 0.02 1 589 . 54 HIS HA H 4.77 0.02 1 590 . 54 HIS HB2 H 1.9 0.02 2 591 . 54 HIS HB3 H 2.43 0.02 2 592 . 54 HIS HD2 H 6.5 0.02 1 593 . 54 HIS HE1 H 8.46 0.02 1 594 . 54 HIS C C 173.33 0.05 1 595 . 54 HIS CA C 55 0.3 1 596 . 54 HIS CB C 36.41 0.3 1 597 . 54 HIS N N 118.14 0.1 1 598 . 55 LYS H H 8.44 0.02 1 599 . 55 LYS HA H 5.49 0.02 1 600 . 55 LYS HB2 H 1.81 0.02 2 601 . 55 LYS HB3 H 1.91 0.02 2 602 . 55 LYS HG2 H 1.38 0.02 2 603 . 55 LYS HG3 H 1.52 0.02 2 604 . 55 LYS HD2 H 1.51 0.02 1 605 . 55 LYS HD3 H 1.51 0.02 1 606 . 55 LYS HE2 H 2.77 0.02 1 607 . 55 LYS HE3 H 2.77 0.02 1 608 . 55 LYS C C 175.6 0.05 1 609 . 55 LYS CA C 55.4 0.3 1 610 . 55 LYS CB C 36.84 0.3 1 611 . 55 LYS CG C 23.93 0.3 1 612 . 55 LYS CD C 30.24 0.3 1 613 . 55 LYS N N 119.51 0.1 1 614 . 56 THR H H 8.66 0.02 1 615 . 56 THR HA H 5 0.02 1 616 . 56 THR HB H 4.9 0.02 1 617 . 56 THR HG2 H 0.89 0.02 1 618 . 56 THR C C 175.27 0.05 1 619 . 56 THR CA C 61.72 0.3 1 620 . 56 THR CB C 72.62 0.3 1 621 . 56 THR CG2 C 20.55 0.3 1 622 . 56 THR N N 111.61 0.1 1 623 . 57 GLN H H 10.01 0.02 1 624 . 57 GLN HA H 4.21 0.02 1 625 . 57 GLN HB2 H 1.98 0.02 2 626 . 57 GLN HB3 H 2.27 0.02 2 627 . 57 GLN HG2 H 2.62 0.02 1 628 . 57 GLN HG3 H 2.62 0.02 1 629 . 57 GLN HE21 H 6.88 0.02 2 630 . 57 GLN HE22 H 7.91 0.02 2 631 . 57 GLN C C 175.73 0.05 1 632 . 57 GLN CA C 56.54 0.3 1 633 . 57 GLN CB C 30.66 0.3 1 634 . 57 GLN CG C 34.87 0.3 1 635 . 57 GLN N N 118.31 0.1 1 636 . 57 GLN NE2 N 114.8 0.1 1 637 . 58 ILE H H 8.13 0.02 1 638 . 58 ILE HA H 4.5 0.02 1 639 . 58 ILE HB H 1.27 0.02 1 640 . 58 ILE HG12 H 0.44 0.02 2 641 . 58 ILE HG13 H 1.23 0.02 2 642 . 58 ILE HG2 H 0.6 0.02 1 643 . 58 ILE HD1 H -0.08 0.02 1 644 . 58 ILE C C 177.14 0.05 1 645 . 58 ILE CA C 61.58 0.3 1 646 . 58 ILE CB C 40.41 0.3 1 647 . 58 ILE CG1 C 28.93 0.3 1 648 . 58 ILE CG2 C 18.42 0.3 1 649 . 58 ILE CD1 C 14.4 0.3 1 650 . 58 ILE N N 121.4 0.1 1 651 . 59 LYS H H 8.69 0.02 1 652 . 59 LYS HA H 4.7 0.02 1 653 . 59 LYS HB2 H 1.54 0.02 2 654 . 59 LYS HB3 H 1.65 0.02 2 655 . 59 LYS HG2 H 0.86 0.02 2 656 . 59 LYS HG3 H 1.26 0.02 2 657 . 59 LYS HD2 H 1.52 0.02 2 658 . 59 LYS HD3 H 1.64 0.02 2 659 . 59 LYS C C 174.22 0.05 1 660 . 59 LYS CA C 52.61 0.3 1 661 . 59 LYS CB C 32.19 0.3 1 662 . 59 LYS CG C 25.05 0.3 1 663 . 59 LYS CD C 27.61 0.3 1 664 . 59 LYS CE C 43.39 0.3 1 665 . 59 LYS N N 128.96 0.1 1 666 . 60 LYS H H 7.97 0.02 1 667 . 60 LYS HA H 4.68 0.02 1 668 . 60 LYS HB2 H 1.66 0.02 1 669 . 60 LYS HB3 H 1.66 0.02 1 670 . 60 LYS HG2 H 1.3 0.02 2 671 . 60 LYS HG3 H 1.51 0.02 2 672 . 60 LYS HD2 H 1.65 0.02 1 673 . 60 LYS HD3 H 1.65 0.02 1 674 . 60 LYS HE2 H 2.91 0.02 1 675 . 60 LYS HE3 H 2.91 0.02 1 676 . 60 LYS C C 176.97 0.05 1 677 . 60 LYS CA C 55.99 0.3 1 678 . 60 LYS CB C 33.92 0.3 1 679 . 60 LYS CG C 25.66 0.3 1 680 . 60 LYS CD C 29.2 0.3 1 681 . 60 LYS N N 118.82 0.1 1 682 . 61 LYS H H 9.82 0.02 1 683 . 61 LYS HA H 3.63 0.02 1 684 . 61 LYS HB2 H 1.31 0.02 2 685 . 61 LYS HB3 H 1.61 0.02 2 686 . 61 LYS HG2 H 0.65 0.02 2 687 . 61 LYS HG3 H 1 0.02 2 688 . 61 LYS HD2 H 1.42 0.02 2 689 . 61 LYS HD3 H 1.47 0.02 2 690 . 61 LYS C C 173.74 0.05 1 691 . 61 LYS CA C 57.03 0.3 1 692 . 61 LYS CB C 32.32 0.3 1 693 . 61 LYS CG C 26.36 0.3 1 694 . 61 LYS CD C 29.97 0.3 1 695 . 61 LYS CE C 42.63 0.3 1 696 . 61 LYS N N 126.55 0.1 1 697 . 62 THR H H 8.57 0.02 1 698 . 62 THR HA H 4.78 0.02 1 699 . 62 THR HB H 4.17 0.02 1 700 . 62 THR HG2 H 0.78 0.02 1 701 . 62 THR C C 170.58 0.05 1 702 . 62 THR CA C 60.75 0.3 1 703 . 62 THR CB C 69.11 0.3 1 704 . 62 THR CG2 C 20.97 0.3 1 705 . 62 THR N N 112.98 0.1 1 706 . 63 LEU H H 8.91 0.02 1 707 . 63 LEU HA H 4.58 0.02 1 708 . 63 LEU HB2 H 1.6 0.02 2 709 . 63 LEU HB3 H 2.01 0.02 2 710 . 63 LEU HG H 1.72 0.02 1 711 . 63 LEU HD1 H 0.94 0.02 1 712 . 63 LEU HD2 H 0.71 0.02 1 713 . 63 LEU C C 175.79 0.05 1 714 . 63 LEU CA C 53.36 0.3 1 715 . 63 LEU CB C 41.26 0.3 1 716 . 63 LEU CD1 C 24.69 0.3 1 717 . 63 LEU CD2 C 21.91 0.3 1 718 . 63 LEU N N 123.46 0.1 1 719 . 64 ASN H H 8.57 0.02 1 720 . 64 ASN HA H 5.46 0.02 1 721 . 64 ASN HB2 H 2.6 0.02 2 722 . 64 ASN HB3 H 2.73 0.02 2 723 . 64 ASN HD21 H 7.58 0.02 2 724 . 64 ASN HD22 H 7.25 0.02 2 725 . 64 ASN C C 172.38 0.05 1 726 . 64 ASN CA C 51.44 0.3 1 727 . 64 ASN CB C 41.81 0.3 1 728 . 64 ASN N N 116.76 0.1 1 729 . 64 ASN ND2 N 119.2 0.1 1 730 . 65 PRO HA H 4.08 0.02 1 731 . 65 PRO HB2 H 0.64 0.02 2 732 . 65 PRO HB3 H 2 0.02 2 733 . 65 PRO HG2 H 1.45 0.02 1 734 . 65 PRO HG3 H 1.45 0.02 1 735 . 65 PRO HD2 H 3.03 0.02 1 736 . 65 PRO HD3 H 3.03 0.02 1 737 . 65 PRO C C 174.53 0.05 1 738 . 65 PRO CA C 62.86 0.3 1 739 . 65 PRO CB C 32.45 0.3 1 740 . 65 PRO CG C 29.22 0.3 1 741 . 65 PRO CD C 50.7 0.3 1 742 . 66 GLU H H 8.17 0.02 1 743 . 66 GLU HA H 4.38 0.02 1 744 . 66 GLU HB2 H 1.86 0.02 2 745 . 66 GLU HB3 H 1.97 0.02 2 746 . 66 GLU HG2 H 2.12 0.02 2 747 . 66 GLU HG3 H 2.22 0.02 2 748 . 66 GLU C C 174.91 0.05 1 749 . 66 GLU CA C 55.45 0.3 1 750 . 66 GLU CB C 30.99 0.3 1 751 . 66 GLU CG C 36.41 0.3 1 752 . 66 GLU N N 120.88 0.1 1 753 . 67 PHE H H 8.2 0.02 1 754 . 67 PHE HA H 4.71 0.02 1 755 . 67 PHE HB2 H 2.88 0.02 2 756 . 67 PHE HB3 H 3.16 0.02 2 757 . 67 PHE HD1 H 7.06 0.02 1 758 . 67 PHE HD2 H 7.06 0.02 1 759 . 67 PHE HE1 H 6.78 0.02 1 760 . 67 PHE HE2 H 6.78 0.02 1 761 . 67 PHE HZ H 7.62 0.02 1 762 . 67 PHE C C 175.63 0.05 1 763 . 67 PHE CA C 60.36 0.3 1 764 . 67 PHE CB C 40.95 0.3 1 765 . 67 PHE N N 121.23 0.1 1 766 . 68 ASN H H 9.22 0.02 1 767 . 68 ASN HA H 4.33 0.02 1 768 . 68 ASN HB2 H 2.85 0.02 1 769 . 68 ASN HB3 H 2.85 0.02 1 770 . 68 ASN HD21 H 7.55 0.02 2 771 . 68 ASN HD22 H 6.94 0.02 2 772 . 68 ASN C C 173.7 0.05 1 773 . 68 ASN CA C 55.17 0.3 1 774 . 68 ASN CB C 38.16 0.3 1 775 . 68 ASN N N 117.45 0.1 1 776 . 68 ASN ND2 N 114.1 0.1 1 777 . 69 GLU H H 7.73 0.02 1 778 . 69 GLU HA H 4.59 0.02 1 779 . 69 GLU HB2 H 1.48 0.02 2 780 . 69 GLU HB3 H 1.85 0.02 2 781 . 69 GLU HG2 H 2.07 0.02 2 782 . 69 GLU HG3 H 2.31 0.02 2 783 . 69 GLU C C 174.69 0.05 1 784 . 69 GLU CA C 56.51 0.3 1 785 . 69 GLU CB C 35.78 0.3 1 786 . 69 GLU N N 116.59 0.1 1 787 . 70 GLU H H 8.13 0.02 1 788 . 70 GLU HA H 5.16 0.02 1 789 . 70 GLU HB2 H 1.55 0.02 1 790 . 70 GLU HB3 H 1.55 0.02 1 791 . 70 GLU HG2 H 1.81 0.02 2 792 . 70 GLU HG3 H 1.97 0.02 2 793 . 70 GLU C C 174.48 0.05 1 794 . 70 GLU CA C 54.54 0.3 1 795 . 70 GLU CB C 33.68 0.3 1 796 . 70 GLU CG C 37.05 0.3 1 797 . 70 GLU N N 121.23 0.1 1 798 . 71 PHE H H 8.92 0.02 1 799 . 71 PHE HA H 4.37 0.02 1 800 . 71 PHE HB2 H 1.83 0.02 2 801 . 71 PHE HB3 H 2.15 0.02 2 802 . 71 PHE HD1 H 6.78 0.02 1 803 . 71 PHE HD2 H 6.78 0.02 1 804 . 71 PHE HE1 H 6.99 0.02 1 805 . 71 PHE HE2 H 6.99 0.02 1 806 . 71 PHE HZ H 6.95 0.02 1 807 . 71 PHE C C 172.89 0.05 1 808 . 71 PHE CA C 56.85 0.3 1 809 . 71 PHE CB C 43.02 0.3 1 810 . 71 PHE N N 120.54 0.1 1 811 . 72 PHE H H 8.28 0.02 1 812 . 72 PHE HA H 5.38 0.02 1 813 . 72 PHE HB2 H 2.68 0.02 2 814 . 72 PHE HB3 H 2.91 0.02 2 815 . 72 PHE HD1 H 6.97 0.02 1 816 . 72 PHE HD2 H 6.97 0.02 1 817 . 72 PHE HE1 H 6.88 0.02 1 818 . 72 PHE HE2 H 6.88 0.02 1 819 . 72 PHE HZ H 6.92 0.02 1 820 . 72 PHE C C 174.44 0.05 1 821 . 72 PHE CA C 56.75 0.3 1 822 . 72 PHE CB C 42.67 0.3 1 823 . 72 PHE N N 122.43 0.1 1 824 . 73 TYR H H 8.6 0.02 1 825 . 73 TYR HA H 4.51 0.02 1 826 . 73 TYR HB2 H 2.56 0.02 1 827 . 73 TYR HB3 H 2.56 0.02 1 828 . 73 TYR HD1 H 7.05 0.02 1 829 . 73 TYR HD2 H 7.05 0.02 1 830 . 73 TYR HE1 H 6.88 0.02 1 831 . 73 TYR HE2 H 6.88 0.02 1 832 . 73 TYR C C 173.21 0.05 1 833 . 73 TYR CA C 57.42 0.3 1 834 . 73 TYR CB C 41.64 0.3 1 835 . 73 TYR N N 126.55 0.1 1 836 . 74 ASP H H 8.58 0.02 1 837 . 74 ASP HA H 4.27 0.02 1 838 . 74 ASP HB2 H 2.66 0.02 2 839 . 74 ASP HB3 H 2.83 0.02 2 840 . 74 ASP C C 174.58 0.05 1 841 . 74 ASP CA C 54.42 0.3 1 842 . 74 ASP CB C 40.65 0.3 1 843 . 74 ASP N N 123.98 0.1 1 844 . 75 ILE H H 7.73 0.02 1 845 . 75 ILE HA H 4.5 0.02 1 846 . 75 ILE HB H 1.94 0.02 1 847 . 75 ILE HG12 H 1.36 0.02 2 848 . 75 ILE HG13 H 1.7 0.02 2 849 . 75 ILE HG2 H 0.83 0.02 1 850 . 75 ILE HD1 H 0.74 0.02 1 851 . 75 ILE C C 173.36 0.05 1 852 . 75 ILE CA C 60.33 0.3 1 853 . 75 ILE CB C 40.76 0.3 1 854 . 75 ILE CG1 C 28.17 0.3 1 855 . 75 ILE CG2 C 16.81 0.3 1 856 . 75 ILE CD1 C 16.25 0.3 1 857 . 75 ILE N N 124.49 0.1 1 858 . 76 LYS H H 8.97 0.02 1 859 . 76 LYS HA H 4.3 0.02 1 860 . 76 LYS HB2 H 1.74 0.02 2 861 . 76 LYS HB3 H 1.9 0.02 2 862 . 76 LYS HG2 H 1.55 0.02 2 863 . 76 LYS HG3 H 1.62 0.02 2 864 . 76 LYS HD2 H 1.7 0.02 1 865 . 76 LYS HD3 H 1.7 0.02 1 866 . 76 LYS HE2 H 3 0.02 1 867 . 76 LYS HE3 H 3 0.02 1 868 . 76 LYS C C 177.67 0.05 1 869 . 76 LYS CA C 56.98 0.3 1 870 . 76 LYS CB C 33.28 0.3 1 871 . 76 LYS CG C 25.57 0.3 1 872 . 76 LYS CD C 29.53 0.3 1 873 . 76 LYS N N 128.27 0.1 1 874 . 77 HIS H H 8.57 0.02 1 875 . 77 HIS HA H 3.18 0.02 1 876 . 77 HIS HB2 H 2.11 0.02 2 877 . 77 HIS HB3 H 2.61 0.02 2 878 . 77 HIS HD2 H 5.87 0.02 1 879 . 77 HIS HE1 H 7.63 0.02 1 880 . 77 HIS C C 177.5 0.05 1 881 . 77 HIS CA C 61.78 0.3 1 882 . 77 HIS CB C 31.09 0.3 1 883 . 77 HIS N N 126.21 0.1 1 884 . 78 SER H H 8.16 0.02 1 885 . 78 SER HA H 3.94 0.02 1 886 . 78 SER HB2 H 3.83 0.02 2 887 . 78 SER HB3 H 3.88 0.02 2 888 . 78 SER C C 176.03 0.05 1 889 . 78 SER CA C 60.63 0.3 1 890 . 78 SER CB C 62.62 0.3 1 891 . 78 SER N N 110.58 0.1 1 892 . 79 ASP H H 7.19 0.02 1 893 . 79 ASP HA H 4.65 0.02 1 894 . 79 ASP HB2 H 2.61 0.02 2 895 . 79 ASP HB3 H 2.7 0.02 2 896 . 79 ASP C C 177.92 0.05 1 897 . 79 ASP CA C 55.99 0.3 1 898 . 79 ASP CB C 41.64 0.3 1 899 . 79 ASP N N 120.88 0.1 1 900 . 80 LEU H H 7.53 0.02 1 901 . 80 LEU HA H 3.88 0.02 1 902 . 80 LEU HB2 H 1.37 0.02 1 903 . 80 LEU HB3 H 1.37 0.02 1 904 . 80 LEU HG H 1.44 0.02 1 905 . 80 LEU HD1 H 0.73 0.02 1 906 . 80 LEU HD2 H 0.59 0.02 1 907 . 80 LEU C C 178.07 0.05 1 908 . 80 LEU CA C 58.2 0.3 1 909 . 80 LEU CB C 42.01 0.3 1 910 . 80 LEU CD1 C 26.33 0.3 1 911 . 80 LEU CD2 C 26.07 0.3 1 912 . 80 LEU N N 121.57 0.1 1 913 . 81 ALA H H 7.61 0.02 1 914 . 81 ALA HA H 4.06 0.02 1 915 . 81 ALA HB H 1.41 0.02 1 916 . 81 ALA C C 178.39 0.05 1 917 . 81 ALA CA C 54.93 0.3 1 918 . 81 ALA CB C 18.74 0.3 1 919 . 81 ALA N N 117.79 0.1 1 920 . 82 LYS H H 7.49 0.02 1 921 . 82 LYS HA H 4.39 0.02 1 922 . 82 LYS HB2 H 1.77 0.02 2 923 . 82 LYS HB3 H 2.06 0.02 2 924 . 82 LYS HG2 H 1.41 0.02 1 925 . 82 LYS HG3 H 1.41 0.02 1 926 . 82 LYS HD2 H 1.67 0.02 1 927 . 82 LYS HD3 H 1.67 0.02 1 928 . 82 LYS HE2 H 2.97 0.02 1 929 . 82 LYS HE3 H 2.97 0.02 1 930 . 82 LYS C C 176.31 0.05 1 931 . 82 LYS CA C 56.24 0.3 1 932 . 82 LYS CB C 33.53 0.3 1 933 . 82 LYS CG C 25.64 0.3 1 934 . 82 LYS CD C 29.67 0.3 1 935 . 82 LYS N N 115.73 0.1 1 936 . 83 LYS H H 7.55 0.02 1 937 . 83 LYS HA H 5.05 0.02 1 938 . 83 LYS HB2 H 1.8 0.02 2 939 . 83 LYS HB3 H 1.92 0.02 2 940 . 83 LYS HG2 H 1.17 0.02 2 941 . 83 LYS HG3 H 1.72 0.02 2 942 . 83 LYS HD2 H 1.33 0.02 2 943 . 83 LYS HD3 H 1.47 0.02 2 944 . 83 LYS C C 174.92 0.05 1 945 . 83 LYS CA C 53.71 0.3 1 946 . 83 LYS CB C 35.22 0.3 1 947 . 83 LYS CG C 25.7 0.3 1 948 . 83 LYS CD C 28.86 0.3 1 949 . 83 LYS CE C 43 0.3 1 950 . 83 LYS N N 118.48 0.1 1 951 . 84 SER H H 8.57 0.02 1 952 . 84 SER HA H 4.21 0.02 1 953 . 84 SER HB2 H 3.13 0.02 2 954 . 84 SER HB3 H 3.2 0.02 2 955 . 84 SER C C 171.25 0.05 1 956 . 84 SER CA C 56.96 0.3 1 957 . 84 SER CB C 66.01 0.3 1 958 . 84 SER N N 113.16 0.1 1 959 . 85 LEU H H 8.42 0.02 1 960 . 85 LEU HA H 4.77 0.02 1 961 . 85 LEU HB2 H 1.06 0.02 2 962 . 85 LEU HB3 H 1.62 0.02 2 963 . 85 LEU HG H 1.36 0.02 1 964 . 85 LEU HD1 H 0.84 0.02 1 965 . 85 LEU HD2 H 0.96 0.02 1 966 . 85 LEU C C 173.43 0.05 1 967 . 85 LEU CA C 53.58 0.3 1 968 . 85 LEU CB C 45.52 0.3 1 969 . 85 LEU CD1 C 23.98 0.3 1 970 . 85 LEU CD2 C 28.94 0.3 1 971 . 85 LEU N N 124.49 0.1 1 972 . 86 ASP H H 9.18 0.02 1 973 . 86 ASP HA H 4.81 0.02 1 974 . 86 ASP HB2 H 2.27 0.02 2 975 . 86 ASP HB3 H 3.06 0.02 2 976 . 86 ASP C C 175.09 0.05 1 977 . 86 ASP CA C 54.53 0.3 1 978 . 86 ASP CB C 44.25 0.3 1 979 . 86 ASP N N 129.81 0.1 1 980 . 87 ILE H H 8.71 0.02 1 981 . 87 ILE HA H 4.82 0.02 1 982 . 87 ILE HB H 2.05 0.02 1 983 . 87 ILE HG12 H 0.72 0.02 2 984 . 87 ILE HG13 H 1.54 0.02 2 985 . 87 ILE HG2 H 0.65 0.02 1 986 . 87 ILE HD1 H 0.65 0.02 1 987 . 87 ILE C C 174.54 0.05 1 988 . 87 ILE CA C 60.89 0.3 1 989 . 87 ILE CB C 39.74 0.3 1 990 . 87 ILE CG1 C 28.03 0.3 1 991 . 87 ILE CG2 C 18.28 0.3 1 992 . 87 ILE CD1 C 14.91 0.3 1 993 . 87 ILE N N 127.75 0.1 1 994 . 88 SER H H 9.38 0.02 1 995 . 88 SER HA H 5.11 0.02 1 996 . 88 SER HB2 H 3.73 0.02 2 997 . 88 SER HB3 H 4.13 0.02 2 998 . 88 SER C C 171.27 0.05 1 999 . 88 SER CA C 57.14 0.3 1 1000 . 88 SER CB C 66.29 0.3 1 1001 . 88 SER N N 121.4 0.1 1 1002 . 89 VAL H H 9.04 0.02 1 1003 . 89 VAL HA H 4.68 0.02 1 1004 . 89 VAL HB H 1.64 0.02 1 1005 . 89 VAL HG1 H 0.9 0.02 1 1006 . 89 VAL HG2 H 0.78 0.02 1 1007 . 89 VAL C C 173.5 0.05 1 1008 . 89 VAL CA C 61.69 0.3 1 1009 . 89 VAL CB C 32.31 0.3 1 1010 . 89 VAL CG1 C 21.89 0.3 1 1011 . 89 VAL CG2 C 23.34 0.3 1 1012 . 89 VAL N N 123.98 0.1 1 1013 . 90 TRP H H 8.64 0.02 1 1014 . 90 TRP HA H 4.64 0.02 1 1015 . 90 TRP HB2 H 1.34 0.02 2 1016 . 90 TRP HB3 H 2.6 0.02 2 1017 . 90 TRP HD1 H 6.56 0.02 1 1018 . 90 TRP HE1 H 10.52 0.02 1 1019 . 90 TRP HZ2 H 6.56 0.02 1 1020 . 90 TRP HZ3 H 7.19 0.02 1 1021 . 90 TRP HH2 H 6.99 0.02 1 1022 . 90 TRP C C 172.57 0.05 1 1023 . 90 TRP CA C 55.8 0.3 1 1024 . 90 TRP CB C 34.09 0.3 1 1025 . 90 TRP N N 127.75 0.1 1 1026 . 90 TRP NE1 N 128.7 0.1 1 1027 . 91 ASP H H 9.66 0.02 1 1028 . 91 ASP HA H 4.78 0.02 1 1029 . 91 ASP HB2 H 2.54 0.02 2 1030 . 91 ASP HB3 H 2.7 0.02 2 1031 . 91 ASP C C 174.95 0.05 1 1032 . 91 ASP CA C 51.9 0.3 1 1033 . 91 ASP CB C 43.2 0.3 1 1034 . 91 ASP N N 120.03 0.1 1 1035 . 92 TYR H H 9.62 0.02 1 1036 . 92 TYR HA H 4.61 0.02 1 1037 . 92 TYR HB2 H 3.18 0.02 1 1038 . 92 TYR HB3 H 3.18 0.02 1 1039 . 92 TYR HD1 H 6.99 0.02 1 1040 . 92 TYR HD2 H 6.99 0.02 1 1041 . 92 TYR HE1 H 6.7 0.02 1 1042 . 92 TYR HE2 H 6.7 0.02 1 1043 . 92 TYR C C 175.32 0.05 1 1044 . 92 TYR CA C 59.32 0.3 1 1045 . 92 TYR CB C 39.95 0.3 1 1046 . 92 TYR N N 127.41 0.1 1 1047 . 93 ASP H H 8.2 0.02 1 1048 . 93 ASP HA H 4.82 0.02 1 1049 . 93 ASP HB2 H 2.48 0.02 1 1050 . 93 ASP HB3 H 2.48 0.02 1 1051 . 93 ASP C C 172.28 0.05 1 1052 . 93 ASP CA C 52.41 0.3 1 1053 . 93 ASP CB C 44.15 0.3 1 1054 . 93 ASP N N 111.1 0.1 1 1055 . 94 ILE H H 7.97 0.02 1 1056 . 94 ILE HA H 3.85 0.02 1 1057 . 94 ILE HB H 1.66 0.02 1 1058 . 94 ILE HG12 H 1.14 0.02 2 1059 . 94 ILE HG13 H 1.52 0.02 2 1060 . 94 ILE HG2 H 0.88 0.02 1 1061 . 94 ILE HD1 H 0.92 0.02 1 1062 . 94 ILE C C 177.49 0.05 1 1063 . 94 ILE CA C 61.82 0.3 1 1064 . 94 ILE CB C 39.07 0.3 1 1065 . 94 ILE CG1 C 28.67 0.3 1 1066 . 94 ILE CG2 C 17.53 0.3 1 1067 . 94 ILE CD1 C 14.27 0.3 1 1068 . 94 ILE N N 119.68 0.1 1 1069 . 95 GLY H H 8.68 0.02 1 1070 . 95 GLY HA2 H 3.69 0.02 2 1071 . 95 GLY HA3 H 4 0.02 2 1072 . 95 GLY C C 172.8 0.05 1 1073 . 95 GLY CA C 45.94 0.3 1 1074 . 95 GLY N N 114.87 0.1 1 1075 . 96 LYS H H 7.58 0.02 1 1076 . 96 LYS HA H 4.57 0.02 1 1077 . 96 LYS HB2 H 1.89 0.02 1 1078 . 96 LYS HB3 H 1.89 0.02 1 1079 . 96 LYS HG2 H 1.21 0.02 2 1080 . 96 LYS HG3 H 1.31 0.02 2 1081 . 96 LYS HD2 H 1.56 0.02 2 1082 . 96 LYS HD3 H 1.8 0.02 2 1083 . 96 LYS C C 174.38 0.05 1 1084 . 96 LYS CA C 55.12 0.3 1 1085 . 96 LYS CB C 32.74 0.3 1 1086 . 96 LYS CG C 21.35 0.3 1 1087 . 96 LYS CD C 28.46 0.3 1 1088 . 96 LYS CE C 40.61 0.3 1 1089 . 96 LYS N N 116.08 0.1 1 1090 . 97 SER H H 8.16 0.02 1 1091 . 97 SER HA H 4.36 0.02 1 1092 . 97 SER HB2 H 3.95 0.02 2 1093 . 97 SER HB3 H 3.98 0.02 2 1094 . 97 SER C C 173.45 0.05 1 1095 . 97 SER CA C 58.73 0.3 1 1096 . 97 SER CB C 64 0.3 1 1097 . 97 SER N N 113.67 0.1 1 1098 . 98 ASN H H 8.41 0.02 1 1099 . 98 ASN HA H 4.83 0.02 1 1100 . 98 ASN HB2 H 2.71 0.02 2 1101 . 98 ASN HB3 H 3.02 0.02 2 1102 . 98 ASN HD21 H 7.59 0.02 2 1103 . 98 ASN HD22 H 7.15 0.02 2 1104 . 98 ASN C C 175.6 0.05 1 1105 . 98 ASN CA C 54.38 0.3 1 1106 . 98 ASN CB C 39.9 0.3 1 1107 . 98 ASN N N 120.4 0.1 1 1108 . 98 ASN ND2 N 114.6 0.1 1 1109 . 99 ASP H H 8.46 0.02 1 1110 . 99 ASP HA H 5.19 0.02 1 1111 . 99 ASP HB2 H 2.6 0.02 2 1112 . 99 ASP HB3 H 3.14 0.02 2 1113 . 99 ASP C C 175.25 0.05 1 1114 . 99 ASP CA C 54.51 0.3 1 1115 . 99 ASP CB C 43.78 0.3 1 1116 . 99 ASP N N 121.4 0.1 1 1117 . 100 TYR H H 8.97 0.02 1 1118 . 100 TYR HA H 3.5 0.02 1 1119 . 100 TYR HB2 H 2.27 0.02 2 1120 . 100 TYR HB3 H 2.45 0.02 2 1121 . 100 TYR HD1 H 5.57 0.02 1 1122 . 100 TYR HD2 H 5.57 0.02 1 1123 . 100 TYR HE1 H 6.38 0.02 1 1124 . 100 TYR HE2 H 6.38 0.02 1 1125 . 100 TYR C C 174.37 0.05 1 1126 . 100 TYR CA C 58.34 0.3 1 1127 . 100 TYR CB C 39.02 0.3 1 1128 . 100 TYR N N 126.38 0.1 1 1129 . 101 ILE H H 7.83 0.02 1 1130 . 101 ILE HA H 3.73 0.02 1 1131 . 101 ILE HB H 1.14 0.02 1 1132 . 101 ILE HG12 H 1.13 0.02 2 1133 . 101 ILE HG13 H 1.41 0.02 2 1134 . 101 ILE HG2 H 0.77 0.02 1 1135 . 101 ILE HD1 H 0.73 0.02 1 1136 . 101 ILE C C 174.82 0.05 1 1137 . 101 ILE CA C 64.18 0.3 1 1138 . 101 ILE CB C 38.43 0.3 1 1139 . 101 ILE CG2 C 19.11 0.3 1 1140 . 101 ILE CD1 C 14.72 0.3 1 1141 . 101 ILE N N 126.89 0.1 1 1142 . 102 GLY H H 6.49 0.02 1 1143 . 102 GLY HA2 H 3.34 0.02 2 1144 . 102 GLY HA3 H 3.48 0.02 2 1145 . 102 GLY C C 170.3 0.05 1 1146 . 102 GLY N N 102.28 0.1 1 1147 . 103 GLY H H 9.08 0.02 1 1148 . 103 GLY HA2 H 4.12 0.02 2 1149 . 103 GLY HA3 H 4.83 0.02 2 1150 . 103 GLY C C 172.28 0.05 1 1151 . 103 GLY CA C 46.28 0.3 1 1152 . 103 GLY N N 107.2 0.1 1 1153 . 104 CYS H H 9.08 0.02 1 1154 . 104 CYS HA H 4.84 0.02 1 1155 . 104 CYS HB2 H 2.57 0.02 2 1156 . 104 CYS HB3 H 3.02 0.02 2 1157 . 104 CYS C C 171.22 0.05 1 1158 . 104 CYS CA C 57.52 0.3 1 1159 . 104 CYS CB C 30.39 0.3 1 1160 . 104 CYS N N 114.36 0.1 1 1161 . 105 GLN H H 7.59 0.02 1 1162 . 105 GLN HA H 5.29 0.02 1 1163 . 105 GLN HB2 H 1.75 0.02 2 1164 . 105 GLN HB3 H 1.86 0.02 2 1165 . 105 GLN HG2 H 1.88 0.02 2 1166 . 105 GLN HG3 H 2.06 0.02 2 1167 . 105 GLN HE21 H 6.59 0.02 2 1168 . 105 GLN HE22 H 7.73 0.02 2 1169 . 105 GLN C C 173.94 0.05 1 1170 . 105 GLN CA C 54.7 0.3 1 1171 . 105 GLN CB C 31.64 0.3 1 1172 . 105 GLN CG C 34.94 0.3 1 1173 . 105 GLN N N 121.74 0.1 1 1174 . 105 GLN NE2 N 112.4 0.1 1 1175 . 106 LEU H H 8.65 0.02 1 1176 . 106 LEU HA H 4.32 0.02 1 1177 . 106 LEU HB2 H 1.4 0.02 2 1178 . 106 LEU HB3 H 1.49 0.02 2 1179 . 106 LEU HG H 1.5 0.02 1 1180 . 106 LEU HD1 H 0.72 0.02 1 1181 . 106 LEU HD2 H 0.49 0.02 1 1182 . 106 LEU C C 173.69 0.05 1 1183 . 106 LEU CA C 53.61 0.3 1 1184 . 106 LEU CB C 45.15 0.3 1 1185 . 106 LEU CD1 C 26.54 0.3 1 1186 . 106 LEU CD2 C 23.95 0.3 1 1187 . 106 LEU N N 123.63 0.1 1 1188 . 107 GLY H H 6.27 0.02 1 1189 . 107 GLY HA2 H 1.84 0.02 2 1190 . 107 GLY HA3 H 3.48 0.02 2 1191 . 107 GLY C C 173.32 0.05 1 1192 . 107 GLY CA C 44.24 0.3 1 1193 . 107 GLY N N 105.9 0.1 1 1194 . 108 ILE H H 8.32 0.02 1 1195 . 108 ILE HA H 4.09 0.02 1 1196 . 108 ILE HB H 1.98 0.02 1 1197 . 108 ILE HG12 H 1.45 0.02 1 1198 . 108 ILE HG13 H 1.45 0.02 1 1199 . 108 ILE HG2 H 0.93 0.02 1 1200 . 108 ILE HD1 H 0.93 0.02 1 1201 . 108 ILE C C 175.69 0.05 1 1202 . 108 ILE CA C 62.56 0.3 1 1203 . 108 ILE CB C 38.49 0.3 1 1204 . 108 ILE CG1 C 28.49 0.3 1 1205 . 108 ILE CG2 C 18.68 0.3 1 1206 . 108 ILE CD1 C 14.04 0.3 1 1207 . 108 ILE N N 117.11 0.1 1 1208 . 109 SER H H 7.85 0.02 1 1209 . 109 SER HA H 4.5 0.02 1 1210 . 109 SER HB2 H 3.7 0.02 2 1211 . 109 SER HB3 H 3.84 0.02 2 1212 . 109 SER C C 174.02 0.05 1 1213 . 109 SER CA C 57.79 0.3 1 1214 . 109 SER CB C 63.52 0.3 1 1215 . 109 SER N N 114.19 0.1 1 1216 . 110 ALA H H 7.05 0.02 1 1217 . 110 ALA HA H 4.35 0.02 1 1218 . 110 ALA HB H 1.32 0.02 1 1219 . 110 ALA C C 173.89 0.05 1 1220 . 110 ALA CA C 51.48 0.3 1 1221 . 110 ALA CB C 21.09 0.3 1 1222 . 110 ALA N N 124.66 0.1 1 1223 . 111 LYS H H 7.64 0.02 1 1224 . 111 LYS HA H 4.71 0.02 1 1225 . 111 LYS HB2 H 1.75 0.02 2 1226 . 111 LYS HB3 H 1.91 0.02 2 1227 . 111 LYS HG2 H 1.39 0.02 2 1228 . 111 LYS HG3 H 1.45 0.02 2 1229 . 111 LYS HD2 H 1.66 0.02 2 1230 . 111 LYS HD3 H 1.71 0.02 2 1231 . 111 LYS C C 177.93 0.05 1 1232 . 111 LYS CA C 54.85 0.3 1 1233 . 111 LYS CB C 36.43 0.3 1 1234 . 111 LYS CG C 25.2 0.3 1 1235 . 111 LYS CD C 29.44 0.3 1 1236 . 111 LYS N N 114.7 0.1 1 1237 . 112 GLY H H 8.85 0.02 1 1238 . 112 GLY HA2 H 3.93 0.02 2 1239 . 112 GLY HA3 H 4.09 0.02 2 1240 . 112 GLY CA C 47.5 0.3 1 1241 . 112 GLY N N 109.24 0.1 1 1242 . 113 GLU H H 7.62 0.02 1 1243 . 113 GLU HA H 4.23 0.02 1 1244 . 113 GLU HB2 H 2.37 0.02 1 1245 . 113 GLU HB3 H 2.37 0.02 1 1246 . 113 GLU HG2 H 2.48 0.02 2 1247 . 113 GLU HG3 H 2.54 0.02 2 1248 . 113 GLU C C 178.94 0.05 1 1249 . 113 GLU CA C 59.02 0.3 1 1250 . 113 GLU CB C 30.12 0.3 1 1251 . 113 GLU CG C 36.82 0.3 1 1252 . 113 GLU N N 120 0.1 1 1253 . 114 ARG H H 8.01 0.02 1 1254 . 114 ARG HA H 4.11 0.02 1 1255 . 114 ARG HB2 H 2.27 0.02 1 1256 . 114 ARG HB3 H 2.27 0.02 1 1257 . 114 ARG HG2 H 1.45 0.02 2 1258 . 114 ARG HG3 H 1.99 0.02 2 1259 . 114 ARG HD2 H 3.49 0.02 2 1260 . 114 ARG HD3 H 3.63 0.02 2 1261 . 114 ARG C C 176.89 0.05 1 1262 . 114 ARG CA C 60.34 0.3 1 1263 . 114 ARG CB C 31.31 0.3 1 1264 . 114 ARG CG C 29.02 0.3 1 1265 . 114 ARG CD C 44.43 0.3 1 1266 . 114 ARG N N 121.23 0.1 1 1267 . 115 LEU H H 6.57 0.02 1 1268 . 115 LEU HA H 4.36 0.02 1 1269 . 115 LEU HB2 H 1.31 0.02 2 1270 . 115 LEU HB3 H 1.73 0.02 2 1271 . 115 LEU HG H 1.51 0.02 1 1272 . 115 LEU HD1 H 0.97 0.02 1 1273 . 115 LEU HD2 H 0.97 0.02 1 1274 . 115 LEU C C 178.53 0.05 1 1275 . 115 LEU CA C 57.07 0.3 1 1276 . 115 LEU CB C 42.12 0.3 1 1277 . 115 LEU CD1 C 24.65 0.3 1 1278 . 115 LEU CD2 C 25.8 0.3 1 1279 . 115 LEU N N 120.71 0.1 1 1280 . 116 LYS H H 8.01 0.02 1 1281 . 116 LYS HA H 4.03 0.02 1 1282 . 116 LYS HB2 H 1.85 0.02 2 1283 . 116 LYS HB3 H 2.01 0.02 2 1284 . 116 LYS HG2 H 1.51 0.02 2 1285 . 116 LYS HG3 H 1.59 0.02 2 1286 . 116 LYS HD2 H 1.71 0.02 1 1287 . 116 LYS HD3 H 1.71 0.02 1 1288 . 116 LYS HE2 H 2.98 0.02 1 1289 . 116 LYS HE3 H 2.98 0.02 1 1290 . 116 LYS C C 178.39 0.05 1 1291 . 116 LYS CA C 60.19 0.3 1 1292 . 116 LYS CB C 33.28 0.3 1 1293 . 116 LYS CG C 25.7 0.3 1 1294 . 116 LYS CD C 29.8 0.3 1 1295 . 116 LYS N N 117.62 0.1 1 1296 . 117 HIS H H 8.26 0.02 1 1297 . 117 HIS HA H 4.56 0.02 1 1298 . 117 HIS HB2 H 3.45 0.02 2 1299 . 117 HIS HB3 H 3.54 0.02 2 1300 . 117 HIS HD2 H 7.11 0.02 1 1301 . 117 HIS HE1 H 7.95 0.02 1 1302 . 117 HIS C C 176.81 0.05 1 1303 . 117 HIS CA C 57.86 0.3 1 1304 . 117 HIS CB C 34.08 0.3 1 1305 . 117 HIS N N 117.79 0.1 1 1306 . 118 TRP H H 7.28 0.02 1 1307 . 118 TRP HA H 4 0.02 1 1308 . 118 TRP HB2 H 3.02 0.02 2 1309 . 118 TRP HB3 H 3.24 0.02 2 1310 . 118 TRP HD1 H 6.54 0.02 1 1311 . 118 TRP HE1 H 9.42 0.02 1 1312 . 118 TRP HE3 H 7 0.02 1 1313 . 118 TRP HZ2 H 7.25 0.02 1 1314 . 118 TRP HZ3 H 6.59 0.02 1 1315 . 118 TRP HH2 H 6.54 0.02 1 1316 . 118 TRP C C 177.66 0.05 1 1317 . 118 TRP CA C 60.52 0.3 1 1318 . 118 TRP CB C 31.34 0.3 1 1319 . 118 TRP N N 117.96 0.1 1 1320 . 118 TRP NE1 N 127.3 0.1 1 1321 . 119 TYR H H 8.8 0.02 1 1322 . 119 TYR HA H 4.08 0.02 1 1323 . 119 TYR HB2 H 3.08 0.02 1 1324 . 119 TYR HB3 H 3.08 0.02 1 1325 . 119 TYR HD1 H 7.11 0.02 1 1326 . 119 TYR HD2 H 7.11 0.02 1 1327 . 119 TYR HE1 H 6.86 0.02 1 1328 . 119 TYR HE2 H 6.86 0.02 1 1329 . 119 TYR C C 177.99 0.05 1 1330 . 119 TYR CA C 61.85 0.3 1 1331 . 119 TYR CB C 38.8 0.3 1 1332 . 119 TYR N N 116.76 0.1 1 1333 . 120 GLU H H 8.8 0.02 1 1334 . 120 GLU HA H 3.88 0.02 1 1335 . 120 GLU HB2 H 2.07 0.02 2 1336 . 120 GLU HB3 H 2.41 0.02 2 1337 . 120 GLU HG2 H 2.36 0.02 2 1338 . 120 GLU HG3 H 2.54 0.02 2 1339 . 120 GLU C C 179.01 0.05 1 1340 . 120 GLU CA C 60.28 0.3 1 1341 . 120 GLU CB C 30.23 0.3 1 1342 . 120 GLU CG C 37.65 0.3 1 1343 . 120 GLU N N 118.82 0.1 1 1344 . 121 CYS H H 7.63 0.02 1 1345 . 121 CYS HA H 4.13 0.02 1 1346 . 121 CYS HB2 H 2.62 0.02 1 1347 . 121 CYS HB3 H 2.62 0.02 1 1348 . 121 CYS C C 175.48 0.05 1 1349 . 121 CYS CA C 61.66 0.3 1 1350 . 121 CYS CB C 26.57 0.3 1 1351 . 121 CYS N N 119.51 0.1 1 1352 . 122 LEU H H 7.64 0.02 1 1353 . 122 LEU HA H 3.6 0.02 1 1354 . 122 LEU HB2 H 1.33 0.02 2 1355 . 122 LEU HB3 H 1.56 0.02 2 1356 . 122 LEU HG H 1.29 0.02 1 1357 . 122 LEU HD1 H 0.41 0.02 1 1358 . 122 LEU HD2 H 0.26 0.02 1 1359 . 122 LEU C C 179.63 0.05 1 1360 . 122 LEU CA C 58.14 0.3 1 1361 . 122 LEU CB C 41.89 0.3 1 1362 . 122 LEU CD1 C 25.14 0.3 1 1363 . 122 LEU CD2 C 23.67 0.3 1 1364 . 122 LEU N N 117.45 0.1 1 1365 . 123 LYS H H 8.05 0.02 1 1366 . 123 LYS HA H 4.1 0.02 1 1367 . 123 LYS HB2 H 1.62 0.02 2 1368 . 123 LYS HB3 H 1.75 0.02 2 1369 . 123 LYS HG2 H 1.25 0.02 2 1370 . 123 LYS HG3 H 1.32 0.02 2 1371 . 123 LYS HD2 H 1.53 0.02 1 1372 . 123 LYS HD3 H 1.53 0.02 1 1373 . 123 LYS HE2 H 2.82 0.02 2 1374 . 123 LYS HE3 H 2.89 0.02 2 1375 . 123 LYS C C 176.23 0.05 1 1376 . 123 LYS CA C 57.33 0.3 1 1377 . 123 LYS CB C 33.96 0.3 1 1378 . 123 LYS CG C 25.16 0.3 1 1379 . 123 LYS CD C 29.12 0.3 1 1380 . 123 LYS CE C 42.42 0.3 1 1381 . 123 LYS N N 116.25 0.1 1 1382 . 124 ASN H H 7.52 0.02 1 1383 . 124 ASN HA H 5.04 0.02 1 1384 . 124 ASN HB2 H 2.3 0.02 2 1385 . 124 ASN HB3 H 2.93 0.02 2 1386 . 124 ASN HD21 H 8.21 0.02 2 1387 . 124 ASN HD22 H 7.21 0.02 2 1388 . 124 ASN C C 172.92 0.05 1 1389 . 124 ASN CA C 52.18 0.3 1 1390 . 124 ASN CB C 40.8 0.3 1 1391 . 124 ASN N N 120.03 0.1 1 1392 . 124 ASN ND2 N 118 0.1 1 1393 . 125 LYS H H 8.12 0.02 1 1394 . 125 LYS HA H 4.21 0.02 1 1395 . 125 LYS HB2 H 1.69 0.02 1 1396 . 125 LYS HB3 H 1.69 0.02 1 1397 . 125 LYS HG2 H 1.03 0.02 2 1398 . 125 LYS HG3 H 1.34 0.02 2 1399 . 125 LYS HD2 H 1.14 0.02 2 1400 . 125 LYS HD3 H 1.29 0.02 2 1401 . 125 LYS C C 176.19 0.05 1 1402 . 125 LYS CA C 58.75 0.3 1 1403 . 125 LYS CB C 33.51 0.3 1 1404 . 125 LYS CG C 25.6 0.3 1 1405 . 125 LYS CD C 29.94 0.3 1 1406 . 125 LYS CE C 41.16 0.3 1 1407 . 125 LYS N N 120.37 0.1 1 1408 . 126 ASP H H 9.45 0.02 1 1409 . 126 ASP HA H 4.41 0.02 1 1410 . 126 ASP HB2 H 2.92 0.02 2 1411 . 126 ASP HB3 H 3.02 0.02 2 1412 . 126 ASP C C 173.83 0.05 1 1413 . 126 ASP CA C 57.79 0.3 1 1414 . 126 ASP CB C 39.31 0.3 1 1415 . 126 ASP N N 114.36 0.1 1 1416 . 127 LYS H H 7.74 0.02 1 1417 . 127 LYS HA H 4.6 0.02 1 1418 . 127 LYS HB2 H 1.66 0.02 2 1419 . 127 LYS HB3 H 1.71 0.02 2 1420 . 127 LYS HG2 H 1.23 0.02 2 1421 . 127 LYS HG3 H 1.38 0.02 2 1422 . 127 LYS HD2 H 1.6 0.02 1 1423 . 127 LYS HD3 H 1.6 0.02 1 1424 . 127 LYS HE2 H 2.97 0.02 1 1425 . 127 LYS HE3 H 2.97 0.02 1 1426 . 127 LYS C C 174.28 0.05 1 1427 . 127 LYS CA C 55.13 0.3 1 1428 . 127 LYS CB C 35.52 0.3 1 1429 . 127 LYS CG C 25.17 0.3 1 1430 . 127 LYS CD C 29.55 0.3 1 1431 . 127 LYS N N 118.48 0.1 1 1432 . 128 LYS H H 8.68 0.02 1 1433 . 128 LYS HA H 4.53 0.02 1 1434 . 128 LYS HB2 H 1.77 0.02 1 1435 . 128 LYS HB3 H 1.77 0.02 1 1436 . 128 LYS HG2 H 1.34 0.02 1 1437 . 128 LYS HG3 H 1.34 0.02 1 1438 . 128 LYS HD2 H 1.64 0.02 1 1439 . 128 LYS HD3 H 1.64 0.02 1 1440 . 128 LYS HE2 H 1.13 0.02 2 1441 . 128 LYS HE3 H 2.9 0.02 2 1442 . 128 LYS C C 175.97 0.05 1 1443 . 128 LYS CA C 56.69 0.3 1 1444 . 128 LYS CB C 33.16 0.3 1 1445 . 128 LYS CG C 25.88 0.3 1 1446 . 128 LYS CD C 29.87 0.3 1 1447 . 128 LYS CE C 41.9 0.3 1 1448 . 128 LYS N N 127.07 0.1 1 1449 . 129 ILE H H 9.21 0.02 1 1450 . 129 ILE HA H 4.47 0.02 1 1451 . 129 ILE HB H 2.08 0.02 1 1452 . 129 ILE HG12 H 1.37 0.02 2 1453 . 129 ILE HG13 H 1.52 0.02 2 1454 . 129 ILE HG2 H 0.95 0.02 1 1455 . 129 ILE HD1 H 0.8 0.02 1 1456 . 129 ILE C C 176.81 0.05 1 1457 . 129 ILE CA C 60.11 0.3 1 1458 . 129 ILE CB C 39.68 0.3 1 1459 . 129 ILE CG1 C 26.88 0.3 1 1460 . 129 ILE CG2 C 19.42 0.3 1 1461 . 129 ILE CD1 C 13.2 0.3 1 1462 . 129 ILE N N 128.44 0.1 1 1463 . 130 GLU H H 9.44 0.02 1 1464 . 130 GLU HA H 5.42 0.02 1 1465 . 130 GLU HB2 H 1.74 0.02 1 1466 . 130 GLU HB3 H 1.74 0.02 1 1467 . 130 GLU HG2 H 1.91 0.02 2 1468 . 130 GLU HG3 H 1.83 0.02 2 1469 . 130 GLU C C 175.26 0.05 1 1470 . 130 GLU CA C 55.3 0.3 1 1471 . 130 GLU CB C 32.48 0.3 1 1472 . 130 GLU CG C 36.77 0.3 1 1473 . 130 GLU N N 128.07 0.1 1 1474 . 131 ARG H H 8.52 0.02 1 1475 . 131 ARG HA H 4.36 0.02 1 1476 . 131 ARG HB2 H 0.84 0.02 2 1477 . 131 ARG HB3 H 1.21 0.02 2 1478 . 131 ARG HG2 H 0.72 0.02 2 1479 . 131 ARG HG3 H 0.99 0.02 2 1480 . 131 ARG HD2 H 2.86 0.02 2 1481 . 131 ARG HD3 H 3.21 0.02 2 1482 . 131 ARG C C 174.25 0.05 1 1483 . 131 ARG CA C 54.44 0.3 1 1484 . 131 ARG CB C 35.41 0.3 1 1485 . 131 ARG CG C 27.48 0.3 1 1486 . 131 ARG CD C 43.04 0.3 1 1487 . 131 ARG N N 123.12 0.1 1 1488 . 132 TRP H H 8.25 0.02 1 1489 . 132 TRP HA H 5.06 0.02 1 1490 . 132 TRP HB2 H 2.79 0.02 2 1491 . 132 TRP HB3 H 2.96 0.02 2 1492 . 132 TRP HD1 H 7.26 0.02 1 1493 . 132 TRP HE1 H 10.28 0.02 1 1494 . 132 TRP HE3 H 7.22 0.02 1 1495 . 132 TRP HZ2 H 7.47 0.02 1 1496 . 132 TRP HZ3 H 6.74 0.02 1 1497 . 132 TRP HH2 H 6.78 0.02 1 1498 . 132 TRP C C 176.43 0.05 1 1499 . 132 TRP CA C 56.83 0.3 1 1500 . 132 TRP CB C 31.41 0.3 1 1501 . 132 TRP N N 121.74 0.1 1 1502 . 132 TRP NE1 N 131.1 0.1 1 1503 . 133 HIS H H 9.53 0.02 1 1504 . 133 HIS HA H 5.09 0.02 1 1505 . 133 HIS HB2 H 2.7 0.02 2 1506 . 133 HIS HB3 H 3.07 0.02 2 1507 . 133 HIS HD2 H 6.7 0.02 1 1508 . 133 HIS HE1 H 7.72 0.02 1 1509 . 133 HIS C C 175.45 0.05 1 1510 . 133 HIS CA C 55.89 0.3 1 1511 . 133 HIS CB C 36.1 0.3 1 1512 . 133 HIS N N 118.99 0.1 1 1513 . 134 GLN H H 8.72 0.02 1 1514 . 134 GLN HA H 4.49 0.02 1 1515 . 134 GLN HB2 H 2.15 0.02 1 1516 . 134 GLN HB3 H 2.15 0.02 1 1517 . 134 GLN HG2 H 2.45 0.02 1 1518 . 134 GLN HG3 H 2.45 0.02 1 1519 . 134 GLN HE21 H 7.13 0.02 2 1520 . 134 GLN HE22 H 7.82 0.02 2 1521 . 134 GLN C C 175.76 0.05 1 1522 . 134 GLN CA C 56.26 0.3 1 1523 . 134 GLN CB C 30.37 0.3 1 1524 . 134 GLN CG C 34.37 0.3 1 1525 . 134 GLN N N 122.6 0.1 1 1526 . 134 GLN NE2 N 114.3 0.1 1 1527 . 135 LEU H H 8.64 0.02 1 1528 . 135 LEU HA H 4.29 0.02 1 1529 . 135 LEU HB2 H 0.68 0.02 2 1530 . 135 LEU HB3 H 1.54 0.02 2 1531 . 135 LEU HG H 1.35 0.02 1 1532 . 135 LEU HD1 H 0.46 0.02 1 1533 . 135 LEU HD2 H 0.47 0.02 1 1534 . 135 LEU C C 176.31 0.05 1 1535 . 135 LEU CA C 54.42 0.3 1 1536 . 135 LEU CB C 42.72 0.3 1 1537 . 135 LEU CD1 C 26.9 0.3 1 1538 . 135 LEU CD2 C 22.82 0.3 1 1539 . 135 LEU N N 124.66 0.1 1 1540 . 136 GLN H H 9.06 0.02 1 1541 . 136 GLN HA H 4.92 0.02 1 1542 . 136 GLN HB2 H 2.04 0.02 2 1543 . 136 GLN HB3 H 2.2 0.02 2 1544 . 136 GLN HG2 H 2.37 0.02 1 1545 . 136 GLN HG3 H 2.37 0.02 1 1546 . 136 GLN HE21 H 6.84 0.02 2 1547 . 136 GLN HE22 H 7.44 0.02 2 1548 . 136 GLN C C 175.64 0.05 1 1549 . 136 GLN CA C 54.08 0.3 1 1550 . 136 GLN CB C 32.62 0.3 1 1551 . 136 GLN CG C 33.93 0.3 1 1552 . 136 GLN N N 120.37 0.1 1 1553 . 136 GLN NE2 N 111.5 0.1 1 1554 . 137 ASN H H 9.18 0.02 1 1555 . 137 ASN HA H 4.89 0.02 1 1556 . 137 ASN HB2 H 2.56 0.02 2 1557 . 137 ASN HB3 H 3.04 0.02 2 1558 . 137 ASN HD21 H 7.52 0.02 2 1559 . 137 ASN HD22 H 6.77 0.02 2 1560 . 137 ASN C C 174.52 0.05 1 1561 . 137 ASN CA C 52.92 0.3 1 1562 . 137 ASN CB C 37.9 0.3 1 1563 . 137 ASN N N 120.71 0.1 1 1564 . 137 ASN ND2 N 110.5 0.1 1 1565 . 138 GLU H H 8.16 0.02 1 1566 . 138 GLU HA H 4.4 0.02 1 1567 . 138 GLU HB2 H 1.74 0.02 2 1568 . 138 GLU HB3 H 2.06 0.02 2 1569 . 138 GLU HG2 H 2.06 0.02 1 1570 . 138 GLU HG3 H 2.06 0.02 1 1571 . 138 GLU C C 175.53 0.05 1 1572 . 138 GLU CA C 56.02 0.3 1 1573 . 138 GLU CB C 30.82 0.3 1 1574 . 138 GLU CG C 36.32 0.3 1 1575 . 138 GLU N N 124.49 0.1 1 1576 . 139 ASN H H 8.21 0.02 1 1577 . 139 ASN HA H 4.38 0.02 1 1578 . 139 ASN HB2 H 2.37 0.02 2 1579 . 139 ASN HB3 H 2.56 0.02 2 1580 . 139 ASN HD21 H 7.34 0.02 2 1581 . 139 ASN HD22 H 6.72 0.02 2 1582 . 139 ASN C C 174.84 0.05 1 1583 . 139 ASN CA C 54.12 0.3 1 1584 . 139 ASN CB C 38.6 0.3 1 1585 . 139 ASN N N 118.99 0.1 1 1586 . 139 ASN ND2 N 112.7 0.1 1 1587 . 140 HIS H H 8.08 0.02 1 1588 . 140 HIS HA H 4.62 0.02 1 1589 . 140 HIS HB2 H 2.93 0.02 1 1590 . 140 HIS HB3 H 2.93 0.02 1 1591 . 140 HIS HD2 H 7.06 0.02 1 1592 . 140 HIS HE1 H 8.36 0.02 1 1593 . 140 HIS C C 173.86 0.05 1 1594 . 140 HIS CA C 55.89 0.3 1 1595 . 140 HIS CB C 29.98 0.3 1 1596 . 140 HIS N N 119.85 0.1 1 stop_ save_