data_5872 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of human RGSZ1 ; _BMRB_accession_number 5872 _BMRB_flat_file_name bmr5872.str _Entry_type original _Submission_date 2003-07-17 _Accession_date 2003-07-18 _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 Xu 'Guang Yi' . . 2 Hum Wah-Tung . . 3 Sukits Steven F . 4 Hsiao Chu-Lai . . 5 Liu Yan . . 6 Malakian Karl . . 7 Monteiro Karen . . 8 Wolfrom Scott . . 9 Wang Yuren . . 10 Young Kathleen H . 11 Moy Franklin J . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 534 "13C chemical shifts" 562 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-13 update BMRB 'addition of citation information' 2003-09-18 update author 'addition of chemical shift information' 2003-09-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: 1H, 13C, and 15N resonance assignments of human RGSZ1' _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 Xu Guang-Yi . . 2 Hum Wah-Tung . . 3 Sukits Steven F . 4 Hsiao Chu-Lai . . 5 Liu Yan . . 6 Malakian Karl . . 7 Monteiro Karen . . 8 Wolfrom Scott . . 9 Wang Yuren . . 10 Young Kathleen H . 11 Moy Franklin J . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 409 _Page_last 410 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_RGSZ1 _Saveframe_category molecular_system _Mol_system_name 'regulator of G protein signaling Z1' _Abbreviation_common RGSZ1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RGSZ1 monomer' $RGSZ1_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RGSZ1_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'regulator of G protein signaling Z1' _Abbreviation_common RGSZ1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MGEESPAPTLEEVNAWAQSF DKLMVTPAGRNAFREFLRTE FSEENMLFWMACEELKKEAN KNIIEEKARIIYEDYISILS PKEVSLDSRVREVINRNMVE PSQHIFDDAQLQIYTLMHRD SYPRFMNSAVYKDLLQSLSE KSIEAHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 MET 2 -1 GLY 3 1 GLU 4 2 GLU 5 3 SER 6 4 PRO 7 5 ALA 8 6 PRO 9 7 THR 10 8 LEU 11 9 GLU 12 10 GLU 13 11 VAL 14 12 ASN 15 13 ALA 16 14 TRP 17 15 ALA 18 16 GLN 19 17 SER 20 18 PHE 21 19 ASP 22 20 LYS 23 21 LEU 24 22 MET 25 23 VAL 26 24 THR 27 25 PRO 28 26 ALA 29 27 GLY 30 28 ARG 31 29 ASN 32 30 ALA 33 31 PHE 34 32 ARG 35 33 GLU 36 34 PHE 37 35 LEU 38 36 ARG 39 37 THR 40 38 GLU 41 39 PHE 42 40 SER 43 41 GLU 44 42 GLU 45 43 ASN 46 44 MET 47 45 LEU 48 46 PHE 49 47 TRP 50 48 MET 51 49 ALA 52 50 CYS 53 51 GLU 54 52 GLU 55 53 LEU 56 54 LYS 57 55 LYS 58 56 GLU 59 57 ALA 60 58 ASN 61 59 LYS 62 60 ASN 63 61 ILE 64 62 ILE 65 63 GLU 66 64 GLU 67 65 LYS 68 66 ALA 69 67 ARG 70 68 ILE 71 69 ILE 72 70 TYR 73 71 GLU 74 72 ASP 75 73 TYR 76 74 ILE 77 75 SER 78 76 ILE 79 77 LEU 80 78 SER 81 79 PRO 82 80 LYS 83 81 GLU 84 82 VAL 85 83 SER 86 84 LEU 87 85 ASP 88 86 SER 89 87 ARG 90 88 VAL 91 89 ARG 92 90 GLU 93 91 VAL 94 92 ILE 95 93 ASN 96 94 ARG 97 95 ASN 98 96 MET 99 97 VAL 100 98 GLU 101 99 PRO 102 100 SER 103 101 GLN 104 102 HIS 105 103 ILE 106 104 PHE 107 105 ASP 108 106 ASP 109 107 ALA 110 108 GLN 111 109 LEU 112 110 GLN 113 111 ILE 114 112 TYR 115 113 THR 116 114 LEU 117 115 MET 118 116 HIS 119 117 ARG 120 118 ASP 121 119 SER 122 120 TYR 123 121 PRO 124 122 ARG 125 123 PHE 126 124 MET 127 125 ASN 128 126 SER 129 127 ALA 130 128 VAL 131 129 TYR 132 130 LYS 133 131 ASP 134 132 LEU 135 133 LEU 136 134 GLN 137 135 SER 138 136 LEU 139 137 SER 140 138 GLU 141 139 LYS 142 140 SER 143 141 ILE 144 142 GLU 145 143 ALA 146 144 HIS 147 145 HIS 148 146 HIS 149 147 HIS 150 148 HIS 151 149 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAE73088 "hypothetical protein [Macaca fascicularis]" 94.70 212 100.00 100.00 1.15e-98 DBJ BAG52876 "unnamed protein product [Homo sapiens]" 80.79 122 100.00 100.00 9.08e-83 GB AAC62009 "Gz-selective GTPase-activating protein [Homo sapiens]" 94.70 241 100.00 100.00 6.54e-99 GB AAC62013 "regulator of G protein signaling [Homo sapiens]" 94.70 217 100.00 100.00 1.44e-98 GB AAH15614 "RGS20 protein, partial [Homo sapiens]" 94.70 234 100.00 100.00 9.64e-99 GB AAH63490 "Regulator of G-protein signaling 20 [Homo sapiens]" 94.70 241 100.00 100.00 6.54e-99 GB AAK54122 "RGS20 ret splice variant 1 [Homo sapiens]" 94.70 273 100.00 100.00 1.64e-97 REF NP_001273602 "regulator of G-protein signaling 20 isoform c [Homo sapiens]" 94.70 273 100.00 100.00 1.64e-97 REF NP_001273603 "regulator of G-protein signaling 20 isoform d [Homo sapiens]" 93.38 152 100.00 100.00 3.05e-98 REF NP_001273604 "regulator of G-protein signaling 20 isoform e [Homo sapiens]" 94.70 180 100.00 100.00 8.45e-99 REF NP_003693 "regulator of G-protein signaling 20 isoform b [Homo sapiens]" 94.70 241 100.00 100.00 6.54e-99 REF NP_733466 "regulator of G-protein signaling 20 isoform a [Homo sapiens]" 94.70 388 100.00 100.00 1.58e-96 SP O76081 "RecName: Full=Regulator of G-protein signaling 20; Short=RGS20; AltName: Full=Gz-selective GTPase-activating protein; Short=G(z" 94.70 388 100.00 100.00 1.58e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $RGSZ1_monomer Human 9606 Eukaryota Metazoa Homo sapiens brain stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RGSZ1_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid . 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 $RGSZ1_monomer 0.4 mM '[U-13C; U-15N]' 'sodium phosphate' 100 mM . NaN3 3 mM . H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'Equipped with a z-shielded gradient triple-resonance 1H/13C/15N cryoprobe.' save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CC(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label . save_ save_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 6.8 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.00 external . . . . 1.0 TSP N 15 'methyl protons' ppm 0.00 external . . . . 0.101329118 TSP C 13 'methyl protons' ppm 0.00 external . . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RGSZ1 monomer' _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 . 3 GLU H H 8.82 0.02 1 2 . 3 GLU N N 121.24 0.25 1 3 . 3 GLU C C 176.87 0.2 1 4 . 3 GLU CA C 56.60 0.2 1 5 . 3 GLU CB C 31.06 0.2 1 6 . 3 GLU CG C 36.74 0.2 1 7 . 3 GLU HA H 4.23 0.02 1 8 . 3 GLU HB2 H 1.98 0.02 2 9 . 3 GLU HB3 H 1.86 0.02 2 10 . 4 GLU H H 8.68 0.02 1 11 . 4 GLU N N 122.88 0.25 1 12 . 4 GLU C C 176.25 0.2 1 13 . 4 GLU CA C 56.69 0.2 1 14 . 4 GLU CB C 29.94 0.2 1 15 . 4 GLU CG C 35.95 0.2 1 16 . 4 GLU HA H 4.22 0.02 1 17 . 4 GLU HB2 H 1.96 0.02 2 18 . 4 GLU HB3 H 1.88 0.02 2 19 . 5 SER H H 8.36 0.02 1 20 . 5 SER N N 117.98 0.25 1 21 . 5 SER CA C 56.06 0.2 1 22 . 5 SER CB C 63.60 0.2 1 23 . 6 PRO C C 176.35 0.2 1 24 . 6 PRO CA C 62.61 0.2 1 25 . 6 PRO CB C 32.00 0.2 1 26 . 6 PRO CG C 27.17 0.2 1 27 . 6 PRO CD C 50.73 0.2 1 28 . 6 PRO HA H 4.47 0.02 1 29 . 6 PRO HB2 H 2.26 0.02 2 30 . 6 PRO HB3 H 1.89 0.02 2 31 . 7 ALA H H 8.46 0.02 1 32 . 7 ALA N N 126.07 0.25 1 33 . 7 ALA CA C 50.34 0.2 1 34 . 7 ALA CB C 17.69 0.2 1 35 . 7 ALA HA H 4.55 0.02 1 36 . 8 PRO C C 175.79 0.2 1 37 . 8 PRO CA C 62.11 0.2 1 38 . 8 PRO CB C 32.16 0.2 1 39 . 8 PRO CG C 27.09 0.2 1 40 . 8 PRO CD C 49.93 0.2 1 41 . 8 PRO HA H 4.66 0.02 1 42 . 8 PRO HB2 H 2.08 0.02 2 43 . 8 PRO HB3 H 1.72 0.02 2 44 . 9 THR H H 7.97 0.02 1 45 . 9 THR N N 109.56 0.25 1 46 . 9 THR C C 175.24 0.2 1 47 . 9 THR CA C 59.50 0.2 1 48 . 9 THR CB C 71.55 0.2 1 49 . 9 THR CG2 C 21.52 0.2 1 50 . 9 THR HA H 4.40 0.02 1 51 . 9 THR HB H 4.56 0.02 1 52 . 10 LEU H H 8.89 0.02 1 53 . 10 LEU N N 122.08 0.25 1 54 . 10 LEU C C 177.74 0.2 1 55 . 10 LEU CA C 57.83 0.2 1 56 . 10 LEU CB C 41.38 0.2 1 57 . 10 LEU CG C 26.79 0.2 1 58 . 10 LEU CD1 C 23.21 0.2 2 59 . 10 LEU CD2 C 25.58 0.2 2 60 . 10 LEU HA H 3.67 0.02 1 61 . 10 LEU HB2 H 1.62 0.02 2 62 . 10 LEU HB3 H 1.33 0.02 2 63 . 11 GLU H H 8.50 0.02 1 64 . 11 GLU N N 116.76 0.25 1 65 . 11 GLU C C 179.59 0.2 1 66 . 11 GLU CA C 59.82 0.2 1 67 . 11 GLU CB C 28.99 0.2 1 68 . 11 GLU CG C 36.64 0.2 1 69 . 11 GLU HA H 3.83 0.02 1 70 . 11 GLU HB2 H 1.92 0.02 2 71 . 11 GLU HB3 H 1.80 0.02 2 72 . 12 GLU H H 7.44 0.02 1 73 . 12 GLU N N 120.84 0.25 1 74 . 12 GLU C C 176.60 0.2 1 75 . 12 GLU CA C 59.04 0.2 1 76 . 12 GLU CB C 29.53 0.2 1 77 . 12 GLU CG C 36.88 0.2 1 78 . 12 GLU HA H 3.80 0.02 1 79 . 12 GLU HB2 H 2.08 0.02 2 80 . 12 GLU HB3 H 1.81 0.02 2 81 . 13 VAL H H 7.59 0.02 1 82 . 13 VAL N N 116.98 0.25 1 83 . 13 VAL C C 180.71 0.2 1 84 . 13 VAL CA C 64.90 0.2 1 85 . 13 VAL CB C 31.09 0.2 1 86 . 13 VAL CG1 C 23.07 0.2 2 87 . 13 VAL CG2 C 21.79 0.2 2 88 . 13 VAL HA H 4.51 0.02 1 89 . 13 VAL HB H 1.89 0.02 1 90 . 14 ASN H H 8.39 0.02 1 91 . 14 ASN N N 120.31 0.25 1 92 . 14 ASN C C 177.91 0.2 1 93 . 14 ASN CA C 56.13 0.2 1 94 . 14 ASN CB C 38.39 0.2 1 95 . 14 ASN ND2 N 110.3 0.25 1 96 . 14 ASN HD21 H 7.25 0.02 1 97 . 14 ASN HD22 H 6.55 0.02 1 98 . 14 ASN HA H 4.33 0.02 1 99 . 14 ASN HB2 H 2.62 0.02 2 100 . 14 ASN HB3 H 2.54 0.02 2 101 . 15 ALA H H 7.59 0.02 1 102 . 15 ALA N N 123.93 0.25 1 103 . 15 ALA C C 180.14 0.2 1 104 . 15 ALA CA C 54.81 0.2 1 105 . 15 ALA CB C 17.67 0.2 1 106 . 15 ALA HA H 4.13 0.02 1 107 . 15 ALA HB H 1.51 0.02 1 108 . 16 TRP H H 7.98 0.02 1 109 . 16 TRP N N 118.10 0.25 1 110 . 16 TRP C C 177.09 0.2 1 111 . 16 TRP CA C 57.09 0.2 1 112 . 16 TRP CB C 29.88 0.2 1 113 . 16 TRP HA H 4.54 0.02 1 114 . 16 TRP HB2 H 3.64 0.02 2 115 . 16 TRP HB3 H 3.27 0.02 2 116 . 17 ALA H H 7.32 0.02 1 117 . 17 ALA N N 116.33 0.25 1 118 . 17 ALA C C 177.76 0.2 1 119 . 17 ALA CA C 52.99 0.2 1 120 . 17 ALA CB C 19.25 0.2 1 121 . 17 ALA HA H 4.50 0.02 1 122 . 17 ALA HB H 1.50 0.02 1 123 . 18 GLN H H 7.89 0.02 1 124 . 18 GLN N N 116.34 0.25 1 125 . 18 GLN C C 176.99 0.2 1 126 . 18 GLN CA C 56.96 0.2 1 127 . 18 GLN CB C 29.42 0.2 1 128 . 18 GLN CG C 33.79 0.2 1 129 . 18 GLN NE2 N 111.22 0.25 1 130 . 18 GLN HE21 H 7.47 0.02 1 131 . 18 GLN HE22 H 6.83 0.02 1 132 . 18 GLN HA H 4.25 0.02 1 133 . 18 GLN HB2 H 2.18 0.02 1 134 . 18 GLN HB3 H 2.18 0.02 1 135 . 19 SER H H 7.22 0.02 1 136 . 19 SER N N 110.45 0.25 1 137 . 19 SER C C 173.45 0.2 1 138 . 19 SER CA C 57.05 0.2 1 139 . 19 SER CB C 64.06 0.2 1 140 . 19 SER HA H 4.55 0.02 1 141 . 19 SER HB2 H 3.99 0.02 2 142 . 19 SER HB3 H 3.75 0.02 2 143 . 20 PHE H H 8.58 0.02 1 144 . 20 PHE N N 127.22 0.25 1 145 . 20 PHE C C 176.50 0.2 1 146 . 20 PHE CA C 59.08 0.2 1 147 . 20 PHE CB C 39.46 0.2 1 148 . 20 PHE HA H 3.42 0.02 1 149 . 20 PHE HB2 H 1.55 0.02 1 150 . 20 PHE HB3 H 1.55 0.02 1 151 . 21 ASP H H 7.76 0.02 1 152 . 21 ASP N N 114.42 0.25 1 153 . 21 ASP C C 178.27 0.2 1 154 . 21 ASP CA C 56.36 0.2 1 155 . 21 ASP CB C 39.84 0.2 1 156 . 21 ASP HA H 3.78 0.02 1 157 . 21 ASP HB2 H 2.44 0.02 2 158 . 21 ASP HB3 H 2.29 0.02 2 159 . 22 LYS H H 7.33 0.02 1 160 . 22 LYS N N 117.13 0.25 1 161 . 22 LYS C C 178.53 0.2 1 162 . 22 LYS CA C 58.12 0.2 1 163 . 22 LYS CB C 32.10 0.2 1 164 . 22 LYS CG C 28.65 0.2 1 165 . 22 LYS CD C 25.52 0.2 1 166 . 22 LYS HA H 3.92 0.02 1 167 . 22 LYS HB2 H 2.01 0.02 2 168 . 22 LYS HB3 H 1.80 0.02 2 169 . 23 LEU H H 6.99 0.02 1 170 . 23 LEU N N 120.84 0.25 1 171 . 23 LEU C C 176.64 0.2 1 172 . 23 LEU CA C 57.97 0.2 1 173 . 23 LEU CB C 41.61 0.2 1 174 . 23 LEU CD1 C 25.77 0.2 2 175 . 23 LEU HA H 3.37 0.02 1 176 . 23 LEU HB2 H 1.52 0.02 2 177 . 23 LEU HB3 H 1.16 0.02 2 178 . 24 MET H H 6.82 0.02 1 179 . 24 MET N N 110.86 0.25 1 180 . 24 MET C C 178.31 0.2 1 181 . 24 MET CA C 54.78 0.2 1 182 . 24 MET CB C 31.27 0.2 1 183 . 24 MET CG C 31.79 0.2 1 184 . 24 MET HA H 3.71 0.02 1 185 . 24 MET HB2 H 1.38 0.02 1 186 . 24 MET HB3 H 1.38 0.02 1 187 . 25 VAL H H 7.17 0.02 1 188 . 25 VAL N N 115.19 0.25 1 189 . 25 VAL C C 176.17 0.2 1 190 . 25 VAL CA C 63.10 0.2 1 191 . 25 VAL CB C 32.28 0.2 1 192 . 25 VAL CG1 C 20.45 0.2 2 193 . 25 VAL CG2 C 21.33 0.2 2 194 . 25 VAL HA H 4.10 0.02 1 195 . 25 VAL HB H 2.27 0.02 1 196 . 26 THR H H 7.41 0.02 1 197 . 26 THR N N 111.19 0.25 1 198 . 26 THR CA C 57.46 0.2 1 199 . 26 THR CB C 70.02 0.2 1 200 . 26 THR HA H 5.11 0.02 1 201 . 27 PRO C C 178.31 0.2 1 202 . 27 PRO CA C 64.98 0.2 1 203 . 27 PRO CB C 31.74 0.2 1 204 . 27 PRO CD C 47.77 0.2 1 205 . 27 PRO HA H 4.17 0.02 1 206 . 27 PRO HB2 H 1.94 0.02 2 207 . 27 PRO HB3 H 1.88 0.02 2 208 . 28 ALA H H 8.43 0.02 1 209 . 28 ALA N N 117.96 0.25 1 210 . 28 ALA C C 180.76 0.2 1 211 . 28 ALA CA C 55.24 0.2 1 212 . 28 ALA CB C 18.52 0.2 1 213 . 28 ALA HA H 4.16 0.02 1 214 . 28 ALA HB H 1.60 0.02 1 215 . 29 GLY H H 7.90 0.02 1 216 . 29 GLY N N 109.04 0.25 1 217 . 29 GLY C C 175.27 0.2 1 218 . 29 GLY CA C 46.39 0.2 1 219 . 29 GLY HA2 H 3.37 0.02 1 220 . 29 GLY HA3 H 3.37 0.02 1 221 . 30 ARG H H 7.93 0.02 1 222 . 30 ARG N N 120.53 0.25 1 223 . 30 ARG C C 178.94 0.2 1 224 . 30 ARG CA C 60.65 0.2 1 225 . 30 ARG CB C 31.08 0.2 1 226 . 30 ARG CG C 29.87 0.2 1 227 . 30 ARG CD C 44.23 0.2 1 228 . 30 ARG HA H 3.56 0.02 1 229 . 30 ARG HB2 H 2.04 0.02 1 230 . 30 ARG HB3 H 2.04 0.02 1 231 . 31 ASN H H 8.54 0.02 1 232 . 31 ASN N N 116.26 0.25 1 233 . 31 ASN C C 177.93 0.2 1 234 . 31 ASN CA C 55.93 0.2 1 235 . 31 ASN CB C 38.07 0.2 1 236 . 31 ASN HA H 4.33 0.02 1 237 . 31 ASN HB2 H 2.83 0.02 1 238 . 31 ASN HB3 H 2.83 0.02 1 239 . 32 ALA H H 7.83 0.02 1 240 . 32 ALA N N 123.92 0.25 1 241 . 32 ALA C C 179.25 0.2 1 242 . 32 ALA CA C 55.13 0.2 1 243 . 32 ALA CB C 18.78 0.2 1 244 . 32 ALA HA H 4.27 0.02 1 245 . 32 ALA HB H 1.58 0.02 1 246 . 33 PHE H H 8.42 0.02 1 247 . 33 PHE N N 118.69 0.25 1 248 . 33 PHE C C 178.05 0.2 1 249 . 33 PHE CA C 59.26 0.2 1 250 . 33 PHE CB C 39.54 0.2 1 251 . 33 PHE HA H 3.79 0.02 1 252 . 33 PHE HB2 H 2.78 0.02 1 253 . 33 PHE HB3 H 2.78 0.02 1 254 . 34 ARG H H 8.75 0.02 1 255 . 34 ARG N N 118.46 0.25 1 256 . 34 ARG C C 177.47 0.2 1 257 . 34 ARG CA C 60.74 0.2 1 258 . 34 ARG CB C 30.61 0.2 1 259 . 34 ARG CG C 28.14 0.2 1 260 . 34 ARG CD C 44.13 0.2 1 261 . 34 ARG HA H 3.52 0.02 1 262 . 34 ARG HB2 H 1.92 0.02 1 263 . 34 ARG HB3 H 1.92 0.02 1 264 . 35 GLU H H 7.93 0.02 1 265 . 35 GLU N N 118.91 0.25 1 266 . 35 GLU C C 179.61 0.2 1 267 . 35 GLU CA C 59.72 0.2 1 268 . 35 GLU CB C 28.85 0.2 1 269 . 35 GLU CG C 36.44 0.2 1 270 . 35 GLU HA H 3.81 0.02 1 271 . 35 GLU HB2 H 2.22 0.02 1 272 . 35 GLU HB3 H 2.22 0.02 1 273 . 36 PHE H H 7.92 0.02 1 274 . 36 PHE N N 119.50 0.25 1 275 . 36 PHE C C 177.96 0.2 1 276 . 36 PHE CA C 60.80 0.2 1 277 . 36 PHE CB C 39.57 0.2 1 278 . 36 PHE HA H 4.40 0.02 1 279 . 36 PHE HB2 H 3.33 0.02 1 280 . 36 PHE HB3 H 3.33 0.02 1 281 . 37 LEU H H 8.88 0.02 1 282 . 37 LEU N N 122.40 0.25 1 283 . 37 LEU C C 180.30 0.2 1 284 . 37 LEU CA C 57.50 0.2 1 285 . 37 LEU CB C 40.06 0.2 1 286 . 37 LEU HA H 4.25 0.02 1 287 . 37 LEU HB2 H 1.55 0.02 1 288 . 37 LEU HB3 H 1.55 0.02 1 289 . 38 ARG H H 8.28 0.02 1 290 . 38 ARG N N 118.74 0.25 1 291 . 38 ARG C C 179.91 0.2 1 292 . 38 ARG CA C 60.29 0.2 1 293 . 38 ARG CB C 30.31 0.2 1 294 . 38 ARG CG C 27.97 0.2 1 295 . 38 ARG CD C 43.46 0.2 1 296 . 38 ARG HA H 3.87 0.02 1 297 . 38 ARG HB2 H 1.81 0.02 1 298 . 38 ARG HB3 H 1.81 0.02 1 299 . 39 THR H H 7.48 0.02 1 300 . 39 THR N N 111.27 0.25 1 301 . 39 THR C C 174.38 0.2 1 302 . 39 THR CA C 64.14 0.2 1 303 . 39 THR CB C 69.18 0.2 1 304 . 39 THR CG2 C 21.83 0.2 1 305 . 39 THR HA H 3.91 0.02 1 306 . 39 THR HB H 4.19 0.02 1 307 . 40 GLU H H 6.71 0.02 1 308 . 40 GLU N N 117.78 0.25 1 309 . 40 GLU C C 175.19 0.2 1 310 . 40 GLU CA C 55.24 0.2 1 311 . 40 GLU CB C 29.72 0.2 1 312 . 40 GLU CG C 36.07 0.2 1 313 . 40 GLU HA H 4.19 0.02 1 314 . 40 GLU HB2 H 1.97 0.02 2 315 . 40 GLU HB3 H 1.49 0.02 2 316 . 41 PHE H H 7.32 0.02 1 317 . 41 PHE N N 116.89 0.25 1 318 . 41 PHE C C 177.75 0.2 1 319 . 41 PHE CA C 58.62 0.2 1 320 . 41 PHE CB C 35.95 0.2 1 321 . 41 PHE HA H 4.32 0.02 1 322 . 41 PHE HB2 H 3.30 0.02 2 323 . 41 PHE HB3 H 3.13 0.02 2 324 . 42 SER H H 7.99 0.02 1 325 . 42 SER N N 111.82 0.25 1 326 . 42 SER C C 175.40 0.2 1 327 . 42 SER CA C 56.96 0.2 1 328 . 42 SER CB C 64.33 0.2 1 329 . 42 SER HA H 4.99 0.02 1 330 . 42 SER HB2 H 3.73 0.02 1 331 . 42 SER HB3 H 3.73 0.02 1 332 . 43 GLU H H 8.52 0.02 1 333 . 43 GLU N N 122.89 0.25 1 334 . 43 GLU C C 177.85 0.2 1 335 . 43 GLU CA C 58.56 0.2 1 336 . 43 GLU CB C 30.69 0.2 1 337 . 43 GLU CG C 36.68 0.2 1 338 . 43 GLU HA H 3.60 0.02 1 339 . 43 GLU HB2 H 1.99 0.02 2 340 . 43 GLU HB3 H 1.61 0.02 2 341 . 44 GLU H H 10.01 0.02 1 342 . 44 GLU N N 119.30 0.25 1 343 . 44 GLU C C 176.90 0.2 1 344 . 44 GLU CA C 60.61 0.2 1 345 . 44 GLU CB C 28.01 0.2 1 346 . 44 GLU CG C 36.19 0.2 1 347 . 44 GLU HA H 3.98 0.02 1 348 . 44 GLU HB2 H 2.10 0.02 2 349 . 44 GLU HB3 H 1.51 0.02 2 350 . 45 ASN H H 7.65 0.02 1 351 . 45 ASN N N 117.30 0.25 1 352 . 45 ASN C C 176.92 0.2 1 353 . 45 ASN CA C 56.54 0.2 1 354 . 45 ASN CB C 38.41 0.2 1 355 . 45 ASN HA H 4.50 0.02 1 356 . 45 ASN HB2 H 2.74 0.02 1 357 . 45 ASN HB3 H 2.74 0.02 1 358 . 46 MET H H 7.03 0.02 1 359 . 46 MET N N 117.66 0.25 1 360 . 46 MET C C 177.93 0.2 1 361 . 46 MET CA C 56.10 0.2 1 362 . 46 MET CB C 32.23 0.2 1 363 . 46 MET CG C 33.77 0.2 1 364 . 46 MET HA H 4.51 0.02 1 365 . 46 MET HB2 H 1.94 0.02 2 366 . 46 MET HB3 H 1.70 0.02 2 367 . 47 LEU H H 8.23 0.02 1 368 . 47 LEU N N 120.73 0.25 1 369 . 47 LEU C C 180.00 0.2 1 370 . 47 LEU CA C 58.26 0.2 1 371 . 47 LEU CB C 40.44 0.2 1 372 . 47 LEU CG C 25.15 0.2 1 373 . 47 LEU CD1 C 21.32 0.2 2 374 . 47 LEU HA H 4.05 0.02 1 375 . 47 LEU HB2 H 1.91 0.02 2 376 . 47 LEU HB3 H 1.77 0.02 2 377 . 48 PHE H H 8.49 0.02 1 378 . 48 PHE N N 120.46 0.25 1 379 . 48 PHE C C 176.31 0.2 1 380 . 48 PHE CA C 60.37 0.2 1 381 . 48 PHE CB C 38.90 0.2 1 382 . 48 PHE HA H 3.30 0.02 1 383 . 48 PHE HB2 H 2.79 0.02 2 384 . 48 PHE HB3 H 2.49 0.02 2 385 . 49 TRP H H 8.07 0.02 1 386 . 49 TRP N N 121.61 0.25 1 387 . 49 TRP C C 178.35 0.2 1 388 . 49 TRP CA C 64.58 0.2 1 389 . 49 TRP CB C 29.36 0.2 1 390 . 49 TRP HA H 3.78 0.02 1 391 . 49 TRP HB2 H 3.32 0.02 1 392 . 49 TRP HB3 H 3.32 0.02 1 393 . 50 MET H H 9.06 0.02 1 394 . 50 MET N N 115.94 0.25 1 395 . 50 MET C C 178.40 0.2 1 396 . 50 MET CA C 59.12 0.2 1 397 . 50 MET CB C 33.84 0.2 1 398 . 50 MET CG C 32.18 0.2 1 399 . 50 MET HA H 3.56 0.02 1 400 . 50 MET HB2 H 2.19 0.02 1 401 . 50 MET HB3 H 2.19 0.02 1 402 . 51 ALA H H 8.04 0.02 1 403 . 51 ALA N N 124.18 0.25 1 404 . 51 ALA C C 181.07 0.2 1 405 . 51 ALA CA C 55.04 0.2 1 406 . 51 ALA CB C 17.74 0.2 1 407 . 51 ALA HA H 4.02 0.02 1 408 . 51 ALA HB H 1.37 0.02 1 409 . 52 CYS H H 7.57 0.02 1 410 . 52 CYS N N 117.17 0.25 1 411 . 52 CYS C C 176.40 0.2 1 412 . 52 CYS CA C 63.55 0.2 1 413 . 52 CYS CB C 25.68 0.2 1 414 . 52 CYS HA H 3.61 0.02 1 415 . 52 CYS HB2 H 2.48 0.02 2 416 . 52 CYS HB3 H 2.03 0.02 2 417 . 53 GLU H H 7.20 0.02 1 418 . 53 GLU N N 119.36 0.25 1 419 . 53 GLU C C 178.90 0.2 1 420 . 53 GLU CA C 58.24 0.2 1 421 . 53 GLU CB C 28.88 0.2 1 422 . 53 GLU CG C 34.59 0.2 1 423 . 53 GLU HA H 4.01 0.02 1 424 . 53 GLU HB2 H 2.87 0.02 2 425 . 53 GLU HB3 H 1.37 0.02 2 426 . 54 GLU H H 7.54 0.02 1 427 . 54 GLU N N 117.20 0.25 1 428 . 54 GLU C C 179.59 0.2 1 429 . 54 GLU CA C 58.52 0.2 1 430 . 54 GLU CB C 29.78 0.2 1 431 . 54 GLU CG C 36.32 0.2 1 432 . 54 GLU HA H 3.80 0.02 1 433 . 54 GLU HB2 H 1.96 0.02 1 434 . 54 GLU HB3 H 1.96 0.02 1 435 . 55 LEU H H 7.63 0.02 1 436 . 55 LEU N N 121.78 0.25 1 437 . 55 LEU C C 177.99 0.2 1 438 . 55 LEU CA C 57.90 0.2 1 439 . 55 LEU CB C 41.69 0.2 1 440 . 55 LEU CG C 26.68 0.2 1 441 . 55 LEU CD1 C 25.35 0.2 2 442 . 55 LEU HA H 3.85 0.02 1 443 . 55 LEU HB2 H 1.99 0.02 2 444 . 55 LEU HB3 H 1.42 0.02 2 445 . 56 LYS H H 7.34 0.02 1 446 . 56 LYS N N 114.27 0.25 1 447 . 56 LYS C C 176.85 0.2 1 448 . 56 LYS CA C 58.57 0.2 1 449 . 56 LYS CB C 32.38 0.2 1 450 . 56 LYS CG C 25.15 0.2 1 451 . 56 LYS CD C 29.42 0.2 1 452 . 56 LYS HA H 3.65 0.02 1 453 . 56 LYS HB2 H 1.64 0.02 2 454 . 56 LYS HB3 H 1.55 0.02 2 455 . 57 LYS H H 7.07 0.02 1 456 . 57 LYS N N 115.66 0.25 1 457 . 57 LYS C C 176.85 0.2 1 458 . 57 LYS CA C 55.92 0.2 1 459 . 57 LYS CB C 32.93 0.2 1 460 . 57 LYS CG C 24.86 0.2 1 461 . 57 LYS CD C 28.96 0.2 1 462 . 57 LYS CE C 41.77 0.2 1 463 . 57 LYS HA H 4.15 0.02 1 464 . 57 LYS HB2 H 1.86 0.02 2 465 . 57 LYS HB3 H 1.67 0.02 2 466 . 58 GLU H H 7.46 0.02 1 467 . 58 GLU N N 121.43 0.25 1 468 . 58 GLU C C 174.98 0.2 1 469 . 58 GLU CA C 56.15 0.2 1 470 . 58 GLU CB C 30.44 0.2 1 471 . 58 GLU CG C 36.19 0.2 1 472 . 58 GLU HA H 4.11 0.02 1 473 . 58 GLU HB2 H 1.93 0.02 2 474 . 58 GLU HB3 H 1.82 0.02 2 475 . 59 ALA H H 8.28 0.02 1 476 . 59 ALA N N 123.99 0.25 1 477 . 59 ALA C C 177.90 0.2 1 478 . 59 ALA CA C 52.23 0.2 1 479 . 59 ALA CB C 21.21 0.2 1 480 . 59 ALA HA H 4.43 0.02 1 481 . 59 ALA HB H 1.33 0.02 1 482 . 60 ASN H H 8.98 0.02 1 483 . 60 ASN N N 119.74 0.25 1 484 . 60 ASN C C 175.78 0.2 1 485 . 60 ASN CA C 53.13 0.2 1 486 . 60 ASN CB C 39.32 0.2 1 487 . 60 ASN ND2 N 113.23 0.25 1 488 . 60 ASN HD21 H 7.8 0.02 1 489 . 60 ASN HD22 H 7.17 0.02 1 490 . 60 ASN HA H 4.68 0.02 1 491 . 60 ASN HB2 H 2.94 0.02 2 492 . 60 ASN HB3 H 2.75 0.02 2 493 . 61 LYS H H 8.86 0.02 1 494 . 61 LYS N N 126.78 0.25 1 495 . 61 LYS C C 177.45 0.2 1 496 . 61 LYS CA C 59.67 0.2 1 497 . 61 LYS CB C 32.59 0.2 1 498 . 61 LYS CG C 24.51 0.2 1 499 . 61 LYS CD C 29.13 0.2 1 500 . 61 LYS CE C 41.97 0.2 1 501 . 61 LYS HA H 3.84 0.02 1 502 . 61 LYS HB2 H 1.87 0.02 2 503 . 61 LYS HB3 H 1.77 0.02 2 504 . 62 ASN H H 8.26 0.02 1 505 . 62 ASN N N 115.65 0.25 1 506 . 62 ASN C C 178.31 0.2 1 507 . 62 ASN CA C 56.07 0.2 1 508 . 62 ASN CB C 37.83 0.2 1 509 . 62 ASN ND2 N 112.83 0.25 1 510 . 62 ASN HD21 H 7.00 0.02 1 511 . 62 ASN HA H 4.47 0.02 1 512 . 62 ASN HB2 H 2.79 0.02 1 513 . 62 ASN HB3 H 2.79 0.02 1 514 . 63 ILE H H 7.49 0.02 1 515 . 63 ILE N N 120.20 0.25 1 516 . 63 ILE C C 177.38 0.2 1 517 . 63 ILE CA C 62.71 0.2 1 518 . 63 ILE CB C 37.51 0.2 1 519 . 63 ILE CG1 C 27.62 0.2 1 520 . 63 ILE CG2 C 17.48 0.2 1 521 . 63 ILE CD1 C 11.49 0.2 1 522 . 63 ILE HA H 4.00 0.02 1 523 . 63 ILE HB H 1.97 0.02 1 524 . 64 ILE H H 8.09 0.02 1 525 . 64 ILE N N 121.24 0.25 1 526 . 64 ILE C C 177.04 0.2 1 527 . 64 ILE CA C 65.32 0.2 1 528 . 64 ILE CB C 37.60 0.2 1 529 . 64 ILE CG1 C 27.62 0.2 1 530 . 64 ILE CG2 C 17.48 0.2 1 531 . 64 ILE CD1 C 11.53 0.2 1 532 . 64 ILE HA H 3.32 0.02 1 533 . 64 ILE HB H 1.77 0.02 1 534 . 65 GLU H H 7.97 0.02 1 535 . 65 GLU N N 117.17 0.25 1 536 . 65 GLU C C 178.13 0.2 1 537 . 65 GLU CA C 60.46 0.2 1 538 . 65 GLU CB C 29.03 0.2 1 539 . 65 GLU CG C 36.64 0.2 1 540 . 65 GLU HA H 3.63 0.02 1 541 . 65 GLU HB2 H 2.08 0.02 2 542 . 65 GLU HB3 H 1.99 0.02 2 543 . 66 GLU H H 7.64 0.02 1 544 . 66 GLU N N 118.64 0.25 1 545 . 66 GLU C C 179.26 0.2 1 546 . 66 GLU CA C 59.20 0.2 1 547 . 66 GLU CB C 29.98 0.2 1 548 . 66 GLU CG C 35.92 0.2 1 549 . 66 GLU HA H 4.02 0.02 1 550 . 66 GLU HB2 H 2.08 0.02 1 551 . 66 GLU HB3 H 2.08 0.02 1 552 . 67 LYS H H 8.77 0.02 1 553 . 67 LYS N N 118.09 0.25 1 554 . 67 LYS C C 179.64 0.2 1 555 . 67 LYS CA C 59.68 0.2 1 556 . 67 LYS CB C 30.61 0.2 1 557 . 67 LYS CG C 26.57 0.2 1 558 . 67 LYS CD C 29.36 0.2 1 559 . 67 LYS CE C 41.99 0.2 1 560 . 67 LYS HA H 4.01 0.02 1 561 . 67 LYS HB2 H 1.87 0.02 2 562 . 67 LYS HB3 H 1.74 0.02 2 563 . 68 ALA H H 9.10 0.02 1 564 . 68 ALA N N 121.56 0.25 1 565 . 68 ALA C C 179.28 0.2 1 566 . 68 ALA CA C 55.53 0.2 1 567 . 68 ALA CB C 17.73 0.2 1 568 . 68 ALA HA H 4.32 0.02 1 569 . 68 ALA HB H 1.44 0.02 1 570 . 69 ARG H H 7.96 0.02 1 571 . 69 ARG N N 117.67 0.25 1 572 . 69 ARG C C 178.31 0.2 1 573 . 69 ARG CA C 60.08 0.2 1 574 . 69 ARG CB C 29.31 0.2 1 575 . 69 ARG CG C 27.90 0.2 1 576 . 69 ARG CD C 43.00 0.2 1 577 . 69 ARG HA H 4.00 0.02 1 578 . 69 ARG HB2 H 1.99 0.02 1 579 . 69 ARG HB3 H 1.99 0.02 1 580 . 70 ILE H H 7.70 0.02 1 581 . 70 ILE N N 120.21 0.25 1 582 . 70 ILE C C 177.99 0.2 1 583 . 70 ILE CA C 64.89 0.2 1 584 . 70 ILE CB C 38.24 0.2 1 585 . 70 ILE CG1 C 29.06 0.2 1 586 . 70 ILE CG2 C 17.14 0.2 1 587 . 70 ILE HA H 3.73 0.02 1 588 . 70 ILE HB H 1.86 0.02 1 589 . 71 ILE H H 7.95 0.02 1 590 . 71 ILE N N 119.75 0.25 1 591 . 71 ILE C C 178.30 0.2 1 592 . 71 ILE CA C 65.37 0.2 1 593 . 71 ILE CB C 38.02 0.2 1 594 . 71 ILE CG2 C 17.91 0.2 1 595 . 71 ILE HA H 3.73 0.02 1 596 . 71 ILE HB H 1.85 0.02 1 597 . 72 TYR H H 8.78 0.02 1 598 . 72 TYR N N 120.02 0.25 1 599 . 72 TYR C C 178.14 0.2 1 600 . 72 TYR CA C 62.08 0.2 1 601 . 72 TYR CB C 39.22 0.2 1 602 . 72 TYR HA H 3.90 0.02 1 603 . 72 TYR HB2 H 3.40 0.02 1 604 . 72 TYR HB3 H 3.40 0.02 1 605 . 73 GLU H H 8.71 0.02 1 606 . 73 GLU N N 118.95 0.25 1 607 . 73 GLU C C 177.79 0.2 1 608 . 73 GLU CA C 58.92 0.2 1 609 . 73 GLU CB C 29.48 0.2 1 610 . 73 GLU CG C 36.61 0.2 1 611 . 73 GLU HA H 3.85 0.02 1 612 . 73 GLU HB2 H 2.05 0.02 1 613 . 73 GLU HB3 H 2.05 0.02 1 614 . 74 ASP H H 8.22 0.02 1 615 . 74 ASP N N 116.71 0.25 1 616 . 74 ASP C C 177.85 0.2 1 617 . 74 ASP CA C 56.47 0.2 1 618 . 74 ASP CB C 40.90 0.2 1 619 . 74 ASP HA H 4.35 0.02 1 620 . 74 ASP HB2 H 2.33 0.02 2 621 . 74 ASP HB3 H 1.23 0.02 2 622 . 75 TYR H H 7.96 0.02 1 623 . 75 TYR N N 112.59 0.25 1 624 . 75 TYR C C 174.78 0.2 1 625 . 75 TYR CA C 58.58 0.2 1 626 . 75 TYR CB C 41.61 0.2 1 627 . 75 TYR HA H 4.69 0.02 1 628 . 75 TYR HB2 H 2.73 0.02 1 629 . 75 TYR HB3 H 2.73 0.02 1 630 . 76 ILE H H 7.48 0.02 1 631 . 76 ILE N N 116.00 0.25 1 632 . 76 ILE C C 176.27 0.2 1 633 . 76 ILE CA C 59.92 0.2 1 634 . 76 ILE CB C 36.65 0.2 1 635 . 76 ILE CG1 C 27.22 0.2 1 636 . 76 ILE CG2 C 18.30 0.2 1 637 . 76 ILE HA H 4.00 0.02 1 638 . 76 ILE HB H 1.71 0.02 1 639 . 77 SER H H 7.56 0.02 1 640 . 77 SER N N 113.17 0.25 1 641 . 77 SER C C 175.34 0.2 1 642 . 77 SER CA C 57.66 0.2 1 643 . 77 SER CB C 63.50 0.2 1 644 . 77 SER HA H 3.84 0.02 1 645 . 77 SER HB2 H 3.64 0.02 2 646 . 77 SER HB3 H 3.46 0.02 2 647 . 78 ILE H H 8.16 0.02 1 648 . 78 ILE N N 123.45 0.25 1 649 . 78 ILE CA C 62.78 0.2 1 650 . 78 ILE CB C 37.62 0.2 1 651 . 79 LEU C C 177.30 0.2 1 652 . 79 LEU CA C 54.98 0.2 1 653 . 79 LEU CB C 40.54 0.2 1 654 . 79 LEU CG C 26.89 0.2 1 655 . 79 LEU CD1 C 25.16 0.2 2 656 . 79 LEU CD2 C 22.37 0.2 2 657 . 79 LEU HA H 4.13 0.02 1 658 . 79 LEU HB2 H 1.57 0.02 1 659 . 79 LEU HB3 H 1.64 0.02 1 660 . 80 SER H H 7.59 0.02 1 661 . 80 SER N N 116.00 0.25 1 662 . 80 SER CA C 55.98 0.2 1 663 . 80 SER CB C 63.01 0.2 1 664 . 81 PRO C C 177.37 0.2 1 665 . 81 PRO CA C 64.02 0.2 1 666 . 81 PRO CB C 31.77 0.2 1 667 . 81 PRO CG C 27.20 0.2 1 668 . 81 PRO HA H 4.36 0.02 1 669 . 81 PRO HB2 H 2.40 0.02 1 670 . 81 PRO HB3 H 2.40 0.02 1 671 . 82 LYS H H 7.73 0.02 1 672 . 82 LYS N N 118.83 0.25 1 673 . 82 LYS CA C 54.67 0.2 1 674 . 82 LYS CB C 32.90 0.2 1 675 . 83 GLU C C 177.40 0.2 1 676 . 83 GLU CA C 56.55 0.2 1 677 . 83 GLU CB C 30.54 0.2 1 678 . 83 GLU CG C 34.94 0.2 1 679 . 83 GLU HA H 4.01 0.02 1 680 . 83 GLU HB2 H 1.94 0.02 2 681 . 83 GLU HB3 H 1.70 0.02 2 682 . 84 VAL H H 8.25 0.02 1 683 . 84 VAL N N 120.14 0.25 1 684 . 84 VAL C C 176.38 0.2 1 685 . 84 VAL CA C 59.54 0.2 1 686 . 84 VAL CB C 33.43 0.2 1 687 . 84 VAL CG1 C 21.99 0.2 2 688 . 84 VAL CG2 C 17.60 0.2 2 689 . 84 VAL HA H 4.47 0.02 1 690 . 84 VAL HB H 1.90 0.02 1 691 . 85 SER H H 8.76 0.02 1 692 . 85 SER N N 119.22 0.25 1 693 . 85 SER C C 173.14 0.2 1 694 . 85 SER CA C 57.95 0.2 1 695 . 85 SER CB C 62.38 0.2 1 696 . 85 SER HA H 4.26 0.02 1 697 . 85 SER HB2 H 3.80 0.02 2 698 . 85 SER HB3 H 3.66 0.02 2 699 . 86 LEU H H 7.53 0.02 1 700 . 86 LEU N N 124.25 0.25 1 701 . 86 LEU C C 176.78 0.2 1 702 . 86 LEU CA C 52.45 0.2 1 703 . 86 LEU CB C 46.21 0.2 1 704 . 86 LEU CG C 26.33 0.2 1 705 . 86 LEU CD1 C 24.04 0.2 2 706 . 86 LEU CD2 C 23.95 0.2 2 707 . 86 LEU HA H 4.67 0.02 1 708 . 86 LEU HB2 H 1.38 0.02 2 709 . 86 LEU HB3 H 1.27 0.02 2 710 . 87 ASP H H 8.76 0.02 1 711 . 87 ASP N N 122.68 0.25 1 712 . 87 ASP C C 176.93 0.2 1 713 . 87 ASP CA C 53.98 0.2 1 714 . 87 ASP CB C 42.22 0.2 1 715 . 87 ASP HA H 4.54 0.02 1 716 . 87 ASP HB2 H 2.90 0.02 2 717 . 87 ASP HB3 H 2.65 0.02 2 718 . 88 SER H H 8.80 0.02 1 719 . 88 SER N N 118.32 0.25 1 720 . 88 SER C C 176.78 0.2 1 721 . 88 SER CA C 57.58 0.2 1 722 . 88 SER CB C 63.14 0.2 1 723 . 88 SER HA H 4.03 0.02 1 724 . 88 SER HB2 H 3.92 0.02 1 725 . 88 SER HB3 H 3.92 0.02 1 726 . 89 ARG H H 8.51 0.02 1 727 . 89 ARG N N 122.43 0.25 1 728 . 89 ARG C C 178.85 0.2 1 729 . 89 ARG CA C 59.14 0.2 1 730 . 89 ARG CB C 29.53 0.2 1 731 . 89 ARG CG C 26.92 0.2 1 732 . 89 ARG CD C 42.93 0.2 1 733 . 89 ARG HA H 4.11 0.02 1 734 . 89 ARG HB2 H 1.89 0.02 1 735 . 89 ARG HB3 H 1.89 0.02 1 736 . 90 VAL H H 7.75 0.02 1 737 . 90 VAL N N 119.67 0.25 1 738 . 90 VAL C C 179.07 0.2 1 739 . 90 VAL CA C 65.40 0.2 1 740 . 90 VAL CB C 31.74 0.2 1 741 . 90 VAL CG1 C 23.24 0.2 2 742 . 90 VAL CG2 C 21.80 0.2 2 743 . 90 VAL HA H 3.78 0.02 1 744 . 90 VAL HB H 2.23 0.02 1 745 . 91 ARG H H 7.79 0.02 1 746 . 91 ARG N N 119.30 0.25 1 747 . 91 ARG C C 177.49 0.2 1 748 . 91 ARG CA C 60.36 0.2 1 749 . 91 ARG CB C 30.38 0.2 1 750 . 91 ARG CG C 28.73 0.2 1 751 . 91 ARG CD C 43.05 0.2 1 752 . 91 ARG HA H 3.77 0.02 1 753 . 91 ARG HB2 H 1.91 0.02 2 754 . 91 ARG HB3 H 1.76 0.02 2 755 . 92 GLU H H 8.18 0.02 1 756 . 92 GLU N N 119.17 0.25 1 757 . 92 GLU C C 179.02 0.2 1 758 . 92 GLU CA C 59.47 0.2 1 759 . 92 GLU CB C 29.40 0.2 1 760 . 92 GLU CG C 35.91 0.2 1 761 . 92 GLU HA H 4.09 0.02 1 762 . 92 GLU HB2 H 2.12 0.02 1 763 . 92 GLU HB3 H 2.12 0.02 1 764 . 93 VAL H H 7.63 0.02 1 765 . 93 VAL N N 119.98 0.25 1 766 . 93 VAL C C 178.69 0.2 1 767 . 93 VAL CA C 66.68 0.2 1 768 . 93 VAL CB C 31.97 0.2 1 769 . 93 VAL CG1 C 22.78 0.2 2 770 . 93 VAL CG2 C 21.49 0.2 2 771 . 93 VAL HA H 3.53 0.02 1 772 . 93 VAL HB H 2.12 0.02 1 773 . 94 ILE H H 7.78 0.02 1 774 . 94 ILE N N 120.34 0.25 1 775 . 94 ILE C C 177.87 0.2 1 776 . 94 ILE CA C 66.13 0.2 1 777 . 94 ILE CB C 38.30 0.2 1 778 . 94 ILE CG1 C 29.5 0.2 1 779 . 94 ILE CG2 C 18.92 0.2 1 780 . 94 ILE CD1 C 15.43 0.2 1 781 . 94 ILE HA H 3.55 0.02 1 782 . 94 ILE HB H 2.04 0.02 1 783 . 95 ASN H H 8.46 0.02 1 784 . 95 ASN N N 116.30 0.25 1 785 . 95 ASN C C 178.22 0.2 1 786 . 95 ASN CA C 56.43 0.2 1 787 . 95 ASN CB C 38.20 0.2 1 788 . 95 ASN HA H 4.15 0.02 1 789 . 95 ASN HB2 H 3.01 0.02 2 790 . 95 ASN HB3 H 2.81 0.02 2 791 . 96 ARG H H 7.78 0.02 1 792 . 96 ARG N N 118.03 0.25 1 793 . 96 ARG C C 177.94 0.2 1 794 . 96 ARG CA C 58.46 0.2 1 795 . 96 ARG CB C 30.29 0.2 1 796 . 96 ARG CG C 27.22 0.2 1 797 . 96 ARG CD C 43.50 0.2 1 798 . 96 ARG HA H 4.07 0.02 1 799 . 96 ARG HB2 H 1.89 0.02 1 800 . 96 ARG HB3 H 1.89 0.02 1 801 . 97 ASN H H 7.93 0.02 1 802 . 97 ASN N N 117.59 0.25 1 803 . 97 ASN C C 176.11 0.2 1 804 . 97 ASN CA C 54.29 0.2 1 805 . 97 ASN CB C 39.52 0.2 1 806 . 97 ASN ND2 N 113.14 0.25 1 807 . 97 ASN HD21 H 7.55 0.02 1 808 . 97 ASN HD22 H 7.02 0.02 1 809 . 97 ASN HA H 4.65 0.02 1 810 . 97 ASN HB2 H 2.84 0.02 2 811 . 97 ASN HB3 H 2.57 0.02 2 812 . 98 MET H H 7.66 0.02 1 813 . 98 MET N N 119.33 0.25 1 814 . 98 MET C C 176.58 0.2 1 815 . 98 MET CA C 54.86 0.2 1 816 . 98 MET CB C 29.90 0.2 1 817 . 98 MET CG C 32.34 0.2 1 818 . 98 MET HA H 4.14 0.02 1 819 . 98 MET HB2 H 1.84 0.02 2 820 . 98 MET HB3 H 1.75 0.02 2 821 . 99 VAL H H 6.94 0.02 1 822 . 99 VAL N N 116.15 0.25 1 823 . 99 VAL C C 176.18 0.2 1 824 . 99 VAL CA C 64.13 0.2 1 825 . 99 VAL CB C 31.33 0.2 1 826 . 99 VAL CG1 C 20.69 0.2 2 827 . 99 VAL HA H 3.80 0.02 1 828 . 99 VAL HB H 2.05 0.02 1 829 . 100 GLU H H 7.40 0.02 1 830 . 100 GLU N N 119.34 0.25 1 831 . 100 GLU CA C 53.84 0.2 1 832 . 100 GLU CB C 30.33 0.2 1 833 . 101 PRO C C 175.22 0.2 1 834 . 101 PRO CA C 63.54 0.2 1 835 . 101 PRO CB C 32.38 0.2 1 836 . 101 PRO CG C 27.20 0.2 1 837 . 101 PRO CD C 49.22 0.2 1 838 . 101 PRO HA H 4.17 0.02 1 839 . 101 PRO HB2 H 2.04 0.02 2 840 . 101 PRO HB3 H 1.55 0.02 2 841 . 102 SER H H 7.12 0.02 1 842 . 102 SER N N 114.30 0.25 1 843 . 102 SER C C 174.01 0.2 1 844 . 102 SER CA C 56.34 0.2 1 845 . 102 SER CB C 65.84 0.2 1 846 . 102 SER HA H 4.60 0.02 1 847 . 102 SER HB2 H 4.11 0.02 2 848 . 102 SER HB3 H 3.82 0.02 2 849 . 103 GLN H H 9.16 0.02 1 850 . 103 GLN N N 117.16 0.25 1 851 . 103 GLN C C 175.01 0.2 1 852 . 103 GLN CA C 57.97 0.2 1 853 . 103 GLN CB C 28.60 0.2 1 854 . 103 GLN CG C 33.88 0.2 1 855 . 103 GLN NE2 N 113.14 0.25 1 856 . 103 GLN HE21 H 7.58 0.02 1 857 . 103 GLN HE22 H 6.95 0.02 1 858 . 103 GLN HA H 3.74 0.02 1 859 . 103 GLN HB2 H 2.01 0.02 2 860 . 103 GLN HB3 H 1.73 0.02 2 861 . 104 HIS H H 7.73 0.02 1 862 . 104 HIS N N 113.13 0.25 1 863 . 104 HIS C C 176.52 0.2 1 864 . 104 HIS CA C 55.64 0.2 1 865 . 104 HIS CB C 28.98 0.2 1 866 . 104 HIS HA H 4.69 0.02 1 867 . 104 HIS HB2 H 3.44 0.02 2 868 . 104 HIS HB3 H 2.69 0.02 2 869 . 105 ILE H H 7.11 0.02 1 870 . 105 ILE N N 120.92 0.25 1 871 . 105 ILE C C 175.44 0.2 1 872 . 105 ILE CA C 64.01 0.2 1 873 . 105 ILE CB C 37.44 0.2 1 874 . 105 ILE CG1 C 27.86 0.2 1 875 . 105 ILE CD1 C 14.87 0.2 1 876 . 105 ILE HA H 3.77 0.02 1 877 . 105 ILE HB H 1.66 0.02 1 878 . 106 PHE H H 8.53 0.02 1 879 . 106 PHE N N 118.58 0.25 1 880 . 106 PHE C C 175.52 0.2 1 881 . 106 PHE CA C 56.98 0.2 1 882 . 106 PHE CB C 39.98 0.2 1 883 . 106 PHE HA H 4.93 0.02 1 884 . 106 PHE HB2 H 3.73 0.02 2 885 . 106 PHE HB3 H 2.89 0.02 2 886 . 107 ASP H H 7.71 0.02 1 887 . 107 ASP N N 121.64 0.25 1 888 . 107 ASP C C 178.71 0.2 1 889 . 107 ASP CA C 58.74 0.2 1 890 . 107 ASP CB C 39.48 0.2 1 891 . 107 ASP HA H 4.21 0.02 1 892 . 107 ASP HB2 H 2.87 0.02 2 893 . 107 ASP HB3 H 2.67 0.02 2 894 . 108 ASP H H 8.55 0.02 1 895 . 108 ASP N N 120.73 0.25 1 896 . 108 ASP C C 179.26 0.2 1 897 . 108 ASP CA C 57.44 0.2 1 898 . 108 ASP CB C 40.06 0.2 1 899 . 108 ASP HA H 4.60 0.02 1 900 . 108 ASP HB2 H 2.70 0.02 2 901 . 108 ASP HB3 H 2.61 0.02 2 902 . 109 ALA H H 8.51 0.02 1 903 . 109 ALA N N 124.34 0.25 1 904 . 109 ALA C C 178.60 0.2 1 905 . 109 ALA CA C 54.98 0.2 1 906 . 109 ALA CB C 19.76 0.2 1 907 . 109 ALA HA H 4.05 0.02 1 908 . 109 ALA HB H 1.66 0.02 1 909 . 110 GLN H H 9.65 0.02 1 910 . 110 GLN N N 118.79 0.25 1 911 . 110 GLN C C 178.35 0.2 1 912 . 110 GLN CA C 60.15 0.2 1 913 . 110 GLN CB C 27.86 0.2 1 914 . 110 GLN CG C 35.47 0.2 1 915 . 110 GLN HA H 3.86 0.02 1 916 . 110 GLN HB2 H 2.24 0.02 2 917 . 110 GLN HB3 H 1.99 0.02 2 918 . 111 LEU H H 8.06 0.02 1 919 . 111 LEU N N 120.41 0.25 1 920 . 111 LEU C C 180.11 0.2 1 921 . 111 LEU CA C 57.77 0.2 1 922 . 111 LEU CB C 41.54 0.2 1 923 . 111 LEU CG C 27.17 0.2 1 924 . 111 LEU CD1 C 24.91 0.2 2 925 . 111 LEU CD2 C 23.36 0.2 2 926 . 111 LEU HA H 4.40 0.02 1 927 . 111 LEU HB2 H 1.99 0.02 1 928 . 111 LEU HB3 H 1.79 0.02 1 929 . 112 GLN H H 8.30 0.02 1 930 . 112 GLN N N 121.50 0.25 1 931 . 112 GLN C C 179.34 0.2 1 932 . 112 GLN CA C 59.96 0.2 1 933 . 112 GLN CB C 27.93 0.2 1 934 . 112 GLN CG C 34.40 0.2 1 935 . 112 GLN NE2 N 109.96 0.25 1 936 . 112 GLN HE21 H 7.43 0.02 1 937 . 112 GLN HE22 H 6.77 0.02 1 938 . 112 GLN HA H 4.14 0.02 1 939 . 112 GLN HB2 H 2.32 0.02 1 940 . 112 GLN HB3 H 2.32 0.02 1 941 . 113 ILE H H 8.39 0.02 1 942 . 113 ILE N N 121.25 0.25 1 943 . 113 ILE C C 177.77 0.2 1 944 . 113 ILE CA C 61.64 0.2 1 945 . 113 ILE CB C 36.11 0.2 1 946 . 113 ILE CG1 C 28.87 0.2 1 947 . 113 ILE CG2 C 19.50 0.2 1 948 . 113 ILE HA H 4.18 0.02 1 949 . 113 ILE HB H 2.45 0.02 1 950 . 114 TYR H H 9.31 0.02 1 951 . 114 TYR N N 124.78 0.25 1 952 . 114 TYR C C 177.27 0.2 1 953 . 114 TYR CA C 63.27 0.2 1 954 . 114 TYR CB C 39.18 0.2 1 955 . 114 TYR HA H 3.89 0.02 1 956 . 114 TYR HB2 H 3.47 0.02 2 957 . 114 TYR HB3 H 3.32 0.02 2 958 . 115 THR H H 8.62 0.02 1 959 . 115 THR N N 113.97 0.25 1 960 . 115 THR C C 175.85 0.2 1 961 . 115 THR CA C 66.66 0.2 1 962 . 115 THR CB C 68.71 0.2 1 963 . 115 THR CG2 C 21.20 0.2 1 964 . 115 THR HA H 3.94 0.02 1 965 . 115 THR HB H 4.42 0.02 1 966 . 116 LEU H H 7.95 0.02 1 967 . 116 LEU N N 124.19 0.25 1 968 . 116 LEU C C 179.16 0.2 1 969 . 116 LEU CA C 58.66 0.2 1 970 . 116 LEU CB C 42.23 0.2 1 971 . 116 LEU CG C 26.82 0.2 1 972 . 116 LEU CD1 C 24.90 0.2 2 973 . 116 LEU HA H 4.06 0.02 1 974 . 116 LEU HB2 H 1.99 0.02 1 975 . 116 LEU HB3 H 1.81 0.02 1 976 . 117 MET H H 8.54 0.02 1 977 . 117 MET N N 118.33 0.25 1 978 . 117 MET C C 177.65 0.2 1 979 . 117 MET CA C 60.32 0.2 1 980 . 117 MET CB C 34.56 0.2 1 981 . 117 MET HA H 4.09 0.02 1 982 . 117 MET HB2 H 1.93 0.02 1 983 . 117 MET HB3 H 1.93 0.02 1 984 . 118 HIS H H 8.13 0.02 1 985 . 118 HIS N N 119.18 0.25 1 986 . 118 HIS C C 176.32 0.2 1 987 . 118 HIS CA C 56.54 0.2 1 988 . 118 HIS CB C 31.17 0.2 1 989 . 118 HIS HA H 3.05 0.02 1 990 . 118 HIS HB2 H 2.70 0.02 2 991 . 118 HIS HB3 H 2.38 0.02 2 992 . 119 ARG H H 8.22 0.02 1 993 . 119 ARG N N 115.78 0.25 1 994 . 119 ARG C C 177.22 0.2 1 995 . 119 ARG CA C 58.18 0.2 1 996 . 119 ARG CB C 31.22 0.2 1 997 . 119 ARG CG C 26.66 0.2 1 998 . 119 ARG CD C 43.34 0.2 1 999 . 119 ARG HA H 3.81 0.02 1 1000 . 119 ARG HB2 H 1.78 0.02 1 1001 . 119 ARG HB3 H 1.78 0.02 1 1002 . 120 ASP H H 8.40 0.02 1 1003 . 120 ASP N N 114.99 0.25 1 1004 . 120 ASP C C 177.54 0.2 1 1005 . 120 ASP CA C 55.69 0.2 1 1006 . 120 ASP CB C 42.15 0.2 1 1007 . 120 ASP HA H 4.82 0.02 1 1008 . 120 ASP HB2 H 2.72 0.02 1 1009 . 120 ASP HB3 H 2.72 0.02 1 1010 . 121 SER H H 7.47 0.02 1 1011 . 121 SER N N 113.70 0.25 1 1012 . 121 SER C C 175.53 0.2 1 1013 . 121 SER CA C 61.69 0.2 1 1014 . 121 SER CB C 63.98 0.2 1 1015 . 121 SER HA H 4.69 0.02 1 1016 . 121 SER HB2 H 4.29 0.02 2 1017 . 121 SER HB3 H 4.22 0.02 2 1018 . 122 TYR H H 8.69 0.02 1 1019 . 122 TYR N N 123.17 0.25 1 1020 . 122 TYR CA C 62.22 0.2 1 1021 . 122 TYR CB C 35.42 0.2 1 1022 . 123 PRO C C 179.32 0.2 1 1023 . 123 PRO CA C 65.69 0.2 1 1024 . 123 PRO CB C 30.67 0.2 1 1025 . 123 PRO CG C 28.64 0.2 1 1026 . 123 PRO HA H 3.80 0.02 1 1027 . 123 PRO HB2 H 1.63 0.02 2 1028 . 123 PRO HB3 H 2.16 0.02 2 1029 . 124 ARG H H 6.51 0.02 1 1030 . 124 ARG N N 113.37 0.25 1 1031 . 124 ARG C C 179.98 0.2 1 1032 . 124 ARG CA C 58.70 0.2 1 1033 . 124 ARG CB C 30.76 0.2 1 1034 . 124 ARG CG C 28.56 0.2 1 1035 . 124 ARG CD C 43.31 0.2 1 1036 . 124 ARG HA H 4.07 0.02 1 1037 . 124 ARG HB2 H 2.09 0.02 1 1038 . 124 ARG HB3 H 2.09 0.02 1 1039 . 125 PHE H H 8.37 0.02 1 1040 . 125 PHE N N 123.72 0.25 1 1041 . 125 PHE C C 178.48 0.2 1 1042 . 125 PHE CA C 59.23 0.2 1 1043 . 125 PHE CB C 38.58 0.2 1 1044 . 125 PHE HA H 3.14 0.02 1 1045 . 125 PHE HB2 H 2.87 0.02 2 1046 . 125 PHE HB3 H 2.73 0.02 2 1047 . 126 MET H H 7.52 0.02 1 1048 . 126 MET N N 117.38 0.25 1 1049 . 126 MET C C 175.51 0.2 1 1050 . 126 MET CA C 56.73 0.2 1 1051 . 126 MET CB C 32.07 0.2 1 1052 . 126 MET CG C 32.14 0.2 1 1053 . 126 MET HA H 3.35 0.02 1 1054 . 126 MET HB2 H 1.55 0.02 1 1055 . 126 MET HB3 H 1.55 0.02 1 1056 . 127 ASN H H 6.82 0.02 1 1057 . 127 ASN N N 114.20 0.25 1 1058 . 127 ASN C C 174.45 0.2 1 1059 . 127 ASN CA C 52.13 0.2 1 1060 . 127 ASN CB C 39.99 0.2 1 1061 . 127 ASN ND2 N 112.96 0.25 1 1062 . 127 ASN HD21 H 7.50 0.02 1 1063 . 127 ASN HD22 H 6.82 0.02 1 1064 . 127 ASN HA H 4.81 0.02 1 1065 . 127 ASN HB2 H 2.87 0.02 2 1066 . 127 ASN HB3 H 2.38 0.02 2 1067 . 128 SER H H 7.54 0.02 1 1068 . 128 SER N N 117.08 0.25 1 1069 . 128 SER C C 174.33 0.2 1 1070 . 128 SER CA C 58.36 0.2 1 1071 . 128 SER CB C 66.66 0.2 1 1072 . 128 SER HA H 4.41 0.02 1 1073 . 128 SER HB2 H 4.32 0.02 2 1074 . 128 SER HB3 H 4.04 0.02 2 1075 . 129 ALA H H 8.92 0.02 1 1076 . 129 ALA N N 124.37 0.25 1 1077 . 129 ALA C C 179.10 0.2 1 1078 . 129 ALA CA C 54.75 0.2 1 1079 . 129 ALA CB C 18.13 0.2 1 1080 . 129 ALA HA H 4.07 0.02 1 1081 . 129 ALA HB H 1.46 0.02 1 1082 . 130 VAL H H 7.52 0.02 1 1083 . 130 VAL N N 114.46 0.25 1 1084 . 130 VAL C C 178.21 0.2 1 1085 . 130 VAL CA C 65.89 0.2 1 1086 . 130 VAL CB C 32.10 0.2 1 1087 . 130 VAL CG1 C 22.10 0.2 2 1088 . 130 VAL CG2 C 21.21 0.2 2 1089 . 130 VAL HA H 3.78 0.02 1 1090 . 130 VAL HB H 2.16 0.02 1 1091 . 131 TYR H H 7.32 0.02 1 1092 . 131 TYR N N 119.32 0.25 1 1093 . 131 TYR C C 176.45 0.2 1 1094 . 131 TYR CA C 61.39 0.2 1 1095 . 131 TYR CB C 38.96 0.2 1 1096 . 131 TYR HA H 3.93 0.02 1 1097 . 131 TYR HB2 H 2.41 0.02 2 1098 . 131 TYR HB3 H 1.75 0.02 2 1099 . 132 LYS H H 8.24 0.02 1 1100 . 132 LYS N N 117.22 0.25 1 1101 . 132 LYS C C 179.74 0.2 1 1102 . 132 LYS CA C 60.00 0.2 1 1103 . 132 LYS CB C 32.05 0.2 1 1104 . 132 LYS CG C 25.75 0.2 1 1105 . 132 LYS CD C 28.97 0.2 1 1106 . 132 LYS CE C 41.93 0.2 1 1107 . 132 LYS HA H 3.51 0.02 1 1108 . 132 LYS HB2 H 1.76 0.02 2 1109 . 132 LYS HB3 H 1.70 0.02 2 1110 . 133 ASP H H 9.08 0.02 1 1111 . 133 ASP N N 119.65 0.25 1 1112 . 133 ASP C C 179.33 0.2 1 1113 . 133 ASP CA C 57.01 0.2 1 1114 . 133 ASP CB C 39.63 0.2 1 1115 . 133 ASP HA H 4.30 0.02 1 1116 . 133 ASP HB2 H 2.78 0.02 2 1117 . 133 ASP HB3 H 2.51 0.02 2 1118 . 134 LEU H H 7.18 0.02 1 1119 . 134 LEU N N 123.55 0.25 1 1120 . 134 LEU C C 178.74 0.2 1 1121 . 134 LEU CA C 57.84 0.2 1 1122 . 134 LEU CB C 41.86 0.2 1 1123 . 134 LEU CG C 27.19 0.2 1 1124 . 134 LEU CD1 C 25.78 0.2 2 1125 . 134 LEU CD2 C 23.71 0.2 2 1126 . 134 LEU HA H 4.06 0.02 1 1127 . 134 LEU HB2 H 1.77 0.02 2 1128 . 134 LEU HB3 H 1.63 0.02 2 1129 . 135 LEU H H 7.88 0.02 1 1130 . 135 LEU N N 119.07 0.25 1 1131 . 135 LEU C C 179.78 0.2 1 1132 . 135 LEU CA C 57.97 0.2 1 1133 . 135 LEU CB C 41.67 0.2 1 1134 . 135 LEU CG C 26.43 0.2 1 1135 . 135 LEU CD1 C 24.34 0.2 2 1136 . 135 LEU HA H 3.52 0.02 1 1137 . 135 LEU HB2 H 1.31 0.02 2 1138 . 135 LEU HB3 H 1.04 0.02 2 1139 . 136 GLN H H 8.20 0.02 1 1140 . 136 GLN N N 118.62 0.25 1 1141 . 136 GLN C C 178.51 0.2 1 1142 . 136 GLN CA C 58.73 0.2 1 1143 . 136 GLN CB C 28.16 0.2 1 1144 . 136 GLN CG C 33.39 0.2 1 1145 . 136 GLN NE2 N 111.67 0.25 1 1146 . 136 GLN HE21 H 7.57 0.02 1 1147 . 136 GLN HE22 H 6.77 0.02 1 1148 . 136 GLN HA H 3.87 0.02 1 1149 . 136 GLN HB2 H 2.10 0.02 2 1150 . 136 GLN HB3 H 2.03 0.02 2 1151 . 137 SER H H 8.10 0.02 1 1152 . 137 SER N N 115.23 0.25 1 1153 . 137 SER C C 176.64 0.2 1 1154 . 137 SER CA C 61.07 0.2 1 1155 . 137 SER CB C 62.65 0.2 1 1156 . 137 SER HA H 4.16 0.02 1 1157 . 137 SER HB2 H 3.95 0.02 1 1158 . 137 SER HB3 H 3.95 0.02 1 1159 . 138 LEU H H 7.74 0.02 1 1160 . 138 LEU N N 120.67 0.25 1 1161 . 138 LEU C C 178.49 0.2 1 1162 . 138 LEU CA C 56.09 0.2 1 1163 . 138 LEU CB C 43.12 0.2 1 1164 . 138 LEU CG C 26.29 0.2 1 1165 . 138 LEU CD1 C 22.38 0.2 2 1166 . 138 LEU HA H 4.20 0.02 1 1167 . 138 LEU HB2 H 1.62 0.02 2 1168 . 138 LEU HB3 H 1.26 0.02 2 1169 . 139 SER H H 7.92 0.02 1 1170 . 139 SER N N 115.64 0.25 1 1171 . 139 SER C C 175.27 0.2 1 1172 . 139 SER CA C 60.18 0.2 1 1173 . 139 SER CB C 63.26 0.2 1 1174 . 139 SER HA H 4.23 0.02 1 1175 . 139 SER HB2 H 3.90 0.02 2 1176 . 139 SER HB3 H 3.82 0.02 2 1177 . 140 GLU H H 8.06 0.02 1 1178 . 140 GLU N N 121.80 0.25 1 1179 . 140 GLU C C 177.25 0.2 1 1180 . 140 GLU CA C 57.51 0.2 1 1181 . 140 GLU CB C 29.79 0.2 1 1182 . 140 GLU CG C 36.17 0.2 1 1183 . 140 GLU HA H 4.12 0.02 1 1184 . 140 GLU HB2 H 1.98 0.02 1 1185 . 140 GLU HB3 H 1.98 0.02 1 1186 . 141 LYS H H 7.94 0.02 1 1187 . 141 LYS N N 120.11 0.25 1 1188 . 141 LYS C C 177.10 0.2 1 1189 . 141 LYS CA C 56.75 0.2 1 1190 . 141 LYS CB C 32.77 0.2 1 1191 . 141 LYS CG C 24.70 0.2 1 1192 . 141 LYS CD C 28.87 0.2 1 1193 . 141 LYS CE C 42.03 0.2 1 1194 . 141 LYS HA H 4.22 0.02 1 1195 . 141 LYS HB2 H 1.81 0.02 2 1196 . 141 LYS HB3 H 1.74 0.02 2 1197 . 142 SER H H 8.04 0.02 1 1198 . 142 SER N N 116.19 0.25 1 1199 . 142 SER C C 175.04 0.2 1 1200 . 142 SER CA C 58.74 0.2 1 1201 . 142 SER CB C 63.47 0.2 1 1202 . 142 SER HA H 4.36 0.02 1 1203 . 142 SER HB2 H 3.83 0.02 1 1204 . 142 SER HB3 H 3.83 0.02 1 1205 . 143 ILE H H 8.01 0.02 1 1206 . 143 ILE N N 122.01 0.25 1 1207 . 143 ILE C C 176.66 0.2 1 1208 . 143 ILE CA C 61.69 0.2 1 1209 . 143 ILE CB C 38.51 0.2 1 1210 . 143 ILE CG1 C 27.28 0.2 1 1211 . 143 ILE CG2 C 17.38 0.2 1 1212 . 143 ILE CD1 C 12.93 0.2 1 1213 . 143 ILE HA H 4.04 0.02 1 1214 . 143 ILE HB H 1.82 0.02 1 1215 . 144 GLU H H 8.24 0.02 1 1216 . 144 GLU N N 123.64 0.25 1 1217 . 144 GLU C C 176.42 0.2 1 1218 . 144 GLU CA C 56.76 0.2 1 1219 . 144 GLU CB C 29.90 0.2 1 1220 . 144 GLU CG C 36.06 0.2 1 1221 . 144 GLU HA H 4.11 0.02 1 1222 . 144 GLU HB2 H 1.92 0.02 2 1223 . 144 GLU HB3 H 1.84 0.02 2 1224 . 145 ALA H H 8.10 0.02 1 1225 . 145 ALA N N 124.04 0.25 1 1226 . 145 ALA C C 177.62 0.2 1 1227 . 145 ALA CA C 52.64 0.2 1 1228 . 145 ALA CB C 19.01 0.2 1 1229 . 145 ALA HA H 4.12 0.02 1 1230 . 145 ALA HB H 1.22 0.02 1 1231 . 146 HIS H H 8.12 0.02 1 1232 . 146 HIS N N 117.39 0.25 1 1233 . 146 HIS C C 173.97 0.2 1 1234 . 146 HIS CA C 55.79 0.2 1 1235 . 146 HIS CB C 29.98 0.2 1 1236 . 146 HIS HA H 4.53 0.02 1 1237 . 146 HIS HB2 H 3.05 0.02 1 1238 . 146 HIS HB3 H 3.05 0.02 1 1239 . 147 HIS H H 8.12 0.02 1 1240 . 147 HIS N N 125.43 0.25 1 1241 . 147 HIS CA C 57.18 0.2 1 1242 . 147 HIS CB C 30.66 0.2 1 stop_ save_