data_19459 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CR1~1-2 ; _BMRB_accession_number 19459 _BMRB_flat_file_name bmr19459.str _Entry_type original _Submission_date 2013-08-27 _Accession_date 2013-08-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Recombinant CR1 fragment, domains 1-2' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Hyon J. . 2 Guariento Mara J. . 3 Maciejewski Mateusz . . 4 Hauart Richard . . 5 Tham Wai-Hong . . 6 Cowman Alan F. . 7 Schmidt Christoph Q. . 8 Martens Haydyn . . 9 Liszewski Kathryn M. . 10 Hourcade Dennis . . 11 Barlow Paul N. . 12 Atkinson John P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 623 "13C chemical shifts" 518 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19458 'Recombinant CR1 fragment, domains 2-3' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Using Mutagenesis and Structural Biology to Map the Binding Site for the Plasmodium falciparum Merozoite Protein PfRh4 on the Human Immune Adherence Receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24214979 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park 'Hyon Ju' . . 2 Guariento Mara . . 3 Maciejewski Mateusz . . 4 Hauhart Richard . . 5 Tham Wai-Hong . . 6 Cowman Alan F. . 7 Schmidt Christoph Q. . 8 Mertens Haydyn D.T. . 9 Liszewski 'M. Kathryn' . . 10 Hourcade Dennis E. . 11 Barlow Paul N. . 12 Atkinson John P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 450 _Page_last 463 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Recombinant CR1 fragment, domains 1-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Recombinant CR1 fragment, domains 1-2' $CR1_1-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CR1_1-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CR1_1-2 _Molecular_mass 13771.797 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; EAEAAGQCNAPEWLPFARPT QLTDEFEFPIGTYLNYECRP GYSGRPFSIICLKNSVWTGA KDRCRRKSCRNPPDPVNGMV HVIKGIQFGSQIKYSCTKGY RLIGSSSATCIISGDTVIWD QETPICDR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLU 2 -4 ALA 3 -3 GLU 4 -2 ALA 5 -1 ALA 6 0 GLY 7 1 GLN 8 2 CYS 9 3 ASN 10 4 ALA 11 5 PRO 12 6 GLU 13 7 TRP 14 8 LEU 15 9 PRO 16 10 PHE 17 11 ALA 18 12 ARG 19 13 PRO 20 14 THR 21 15 GLN 22 16 LEU 23 17 THR 24 18 ASP 25 19 GLU 26 20 PHE 27 21 GLU 28 22 PHE 29 23 PRO 30 24 ILE 31 25 GLY 32 26 THR 33 27 TYR 34 28 LEU 35 29 ASN 36 30 TYR 37 31 GLU 38 32 CYS 39 33 ARG 40 34 PRO 41 35 GLY 42 36 TYR 43 37 SER 44 38 GLY 45 39 ARG 46 40 PRO 47 41 PHE 48 42 SER 49 43 ILE 50 44 ILE 51 45 CYS 52 46 LEU 53 47 LYS 54 48 ASN 55 49 SER 56 50 VAL 57 51 TRP 58 52 THR 59 53 GLY 60 54 ALA 61 55 LYS 62 56 ASP 63 57 ARG 64 58 CYS 65 59 ARG 66 60 ARG 67 61 LYS 68 62 SER 69 63 CYS 70 64 ARG 71 65 ASN 72 66 PRO 73 67 PRO 74 68 ASP 75 69 PRO 76 70 VAL 77 71 ASN 78 72 GLY 79 73 MET 80 74 VAL 81 75 HIS 82 76 VAL 83 77 ILE 84 78 LYS 85 79 GLY 86 80 ILE 87 81 GLN 88 82 PHE 89 83 GLY 90 84 SER 91 85 GLN 92 86 ILE 93 87 LYS 94 88 TYR 95 89 SER 96 90 CYS 97 91 THR 98 92 LYS 99 93 GLY 100 94 TYR 101 95 ARG 102 96 LEU 103 97 ILE 104 98 GLY 105 99 SER 106 100 SER 107 101 SER 108 102 ALA 109 103 THR 110 104 CYS 111 105 ILE 112 106 ILE 113 107 SER 114 108 GLY 115 109 ASP 116 110 THR 117 111 VAL 118 112 ILE 119 113 TRP 120 114 ASP 121 115 GLN 122 116 GLU 123 117 THR 124 118 PRO 125 119 ILE 126 120 CYS 127 121 ASP 128 122 ARG 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 2MCZ "Cr1 Sushi Domains 1 And 2" 100.00 128 100.00 100.00 2.37e-89 DBJ BAG60695 "unnamed protein product [Homo sapiens]" 75.00 134 97.92 97.92 2.38e-62 GB AAD15289 "complement receptor 1, partial [Homo sapiens]" 96.88 162 97.58 97.58 4.17e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CR1_1-2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $CR1_1-2 'recombinant technology' . Pichia pastoris . pPICZaB 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 $CR1_1-2 0.56 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 20 mM '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CR1_1-2 0.56 mM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 20 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CCPNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'Quality assessment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $ref_1 _Mol_system_component_name 'Recombinant CR1 fragment, domains 1-2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 0 6 GLY H H 8.3724 . . 2 0 6 GLY HA2 H 3.9244 . . 3 0 6 GLY C C 176.2039 . . 4 0 6 GLY CA C 45.3931 . . 5 0 6 GLY N N 108.0758 . . 6 1 7 GLN H H 8.0102 . . 7 1 7 GLN HA H 4.7612 . . 8 1 7 GLN HB2 H 1.7306 . . 9 1 7 GLN HB3 H 2.1291 . . 10 1 7 GLN HE21 H 7.2537 . . 11 1 7 GLN HE22 H 6.4960 . . 12 1 7 GLN C C 173.1441 . . 13 1 7 GLN CA C 55.1125 . . 14 1 7 GLN CB C 31.5673 . . 15 1 7 GLN CG C 33.1703 . . 16 1 7 GLN N N 116.8195 . . 17 1 7 GLN NE2 N 110.0200 . . 18 2 8 CYS H H 9.3274 . . 19 2 8 CYS HA H 4.5275 . . 20 2 8 CYS HB2 H 2.3753 . . 21 2 8 CYS HB3 H 3.2723 . . 22 2 8 CYS C C 174.0229 . . 23 2 8 CYS CA C 58.9719 . . 24 2 8 CYS CB C 45.0591 . . 25 2 8 CYS N N 117.9668 . . 26 3 9 ASN H H 8.6858 . . 27 3 9 ASN HA H 5.2486 . . 28 3 9 ASN HB2 H 2.8026 . . 29 3 9 ASN HB3 H 3.2137 . . 30 3 9 ASN HD21 H 7.7297 . . 31 3 9 ASN HD22 H 7.1033 . . 32 3 9 ASN C C 175.0270 . . 33 3 9 ASN CA C 52.5127 . . 34 3 9 ASN CB C 39.6429 . . 35 3 9 ASN N N 119.7224 . . 36 3 9 ASN ND2 N 113.1637 . . 37 4 10 ALA H H 8.4010 . . 38 4 10 ALA HA H 4.4289 . . 39 4 10 ALA HB H 1.5387 . . 40 4 10 ALA C C 173.5165 . . 41 4 10 ALA CA C 51.8135 . . 42 4 10 ALA CB C 16.9868 . . 43 4 10 ALA N N 122.4031 . . 44 5 11 PRO HA H 3.9077 . . 45 5 11 PRO HB2 H 0.7550 . . 46 5 11 PRO HB3 H 1.2616 . . 47 5 11 PRO HG2 H 0.2060 . . 48 5 11 PRO HD2 H 2.8938 . . 49 5 11 PRO HD3 H 3.2527 . . 50 5 11 PRO C C 172.8060 . . 51 5 11 PRO CA C 62.4511 . . 52 5 11 PRO CB C 31.5519 . . 53 5 11 PRO CG C 27.1661 . . 54 5 11 PRO CD C 49.8261 . . 55 6 12 GLU H H 8.4433 . . 56 6 12 GLU HA H 4.1908 . . 57 6 12 GLU HB2 H 2.0569 . . 58 6 12 GLU HG2 H 2.3910 . . 59 6 12 GLU C C 172.8348 . . 60 6 12 GLU CA C 56.1746 . . 61 6 12 GLU CB C 29.9639 . . 62 6 12 GLU CG C 35.5908 . . 63 6 12 GLU N N 121.2956 . . 64 7 13 TRP H H 8.6738 . . 65 7 13 TRP HA H 3.9320 . . 66 7 13 TRP HB2 H 3.1232 . . 67 7 13 TRP HB3 H 3.2683 . . 68 7 13 TRP HD1 H 7.2261 . . 69 7 13 TRP HE1 H 10.0488 . . 70 7 13 TRP HE3 H 7.3941 . . 71 7 13 TRP HZ2 H 7.3894 . . 72 7 13 TRP HZ3 H 7.0463 . . 73 7 13 TRP HH2 H 7.2045 . . 74 7 13 TRP C C 174.2363 . . 75 7 13 TRP CA C 59.9122 . . 76 7 13 TRP CB C 29.0334 . . 77 7 13 TRP CD1 C 127.2073 . . 78 7 13 TRP CE3 C 120.5571 . . 79 7 13 TRP CZ2 C 114.4718 . . 80 7 13 TRP CZ3 C 121.1886 . . 81 7 13 TRP CH2 C 124.0969 . . 82 7 13 TRP N N 124.7463 . . 83 7 13 TRP NE1 N 130.0747 . . 84 8 14 LEU H H 7.9218 . . 85 8 14 LEU HA H 4.5565 . . 86 8 14 LEU HB2 H 1.3205 . . 87 8 14 LEU HB3 H -0.2689 . . 88 8 14 LEU HG H 1.4416 . . 89 8 14 LEU HD1 H 0.2995 . . 90 8 14 LEU HD2 H 0.5817 . . 91 8 14 LEU CA C 49.9650 . . 92 8 14 LEU CB C 42.8931 . . 93 8 14 LEU CG C 25.7170 . . 94 8 14 LEU CD1 C 25.3715 . . 95 8 14 LEU CD2 C 22.5285 . . 96 8 14 LEU N N 125.7821 . . 97 9 15 PRO HA H 3.5980 . . 98 9 15 PRO HB2 H 1.9196 . . 99 9 15 PRO HB3 H 2.4042 . . 100 9 15 PRO HG2 H 2.0395 . . 101 9 15 PRO HG3 H 2.2076 . . 102 9 15 PRO HD2 H 3.4096 . . 103 9 15 PRO HD3 H 3.5080 . . 104 9 15 PRO C C 172.9610 . . 105 9 15 PRO CA C 63.5401 . . 106 9 15 PRO CB C 31.4370 . . 107 9 15 PRO CG C 27.3144 . . 108 9 15 PRO CD C 50.5650 . . 109 10 16 PHE H H 5.5875 . . 110 10 16 PHE HA H 3.6089 . . 111 10 16 PHE HB2 H 2.2873 . . 112 10 16 PHE HB3 H 2.4988 . . 113 10 16 PHE HD1 H 6.9179 . . 114 10 16 PHE HD2 H 6.9179 . . 115 10 16 PHE HE1 H 7.3344 . . 116 10 16 PHE HE2 H 7.3344 . . 117 10 16 PHE C C 175.5353 . . 118 10 16 PHE CA C 53.8571 . . 119 10 16 PHE CB C 40.7746 . . 120 10 16 PHE CD1 C 132.5460 . . 121 10 16 PHE CD2 C 132.5460 . . 122 10 16 PHE CE1 C 131.8991 . . 123 10 16 PHE CE2 C 131.8991 . . 124 10 16 PHE N N 106.8630 . . 125 11 17 ALA H H 6.3486 . . 126 11 17 ALA HA H 5.1430 . . 127 11 17 ALA HB H 1.4641 . . 128 11 17 ALA C C 175.9184 . . 129 11 17 ALA CA C 51.8685 . . 130 11 17 ALA CB C 24.7298 . . 131 11 17 ALA N N 121.2144 . . 132 12 18 ARG H H 9.2187 . . 133 12 18 ARG HA H 4.6968 . . 134 12 18 ARG C C 178.4991 . . 135 12 18 ARG CB C 30.8647 . . 136 12 18 ARG N N 117.1597 . . 137 13 19 PRO HA H 3.6691 . . 138 13 19 PRO HB2 H 1.5377 . . 139 13 19 PRO HB3 H 1.7249 . . 140 13 19 PRO HG2 H 1.8428 . . 141 13 19 PRO HD2 H 3.1910 . . 142 13 19 PRO HD3 H 3.5036 . . 143 13 19 PRO C C 171.5546 . . 144 13 19 PRO CA C 61.3812 . . 145 13 19 PRO CB C 31.5476 . . 146 13 19 PRO CG C 27.1059 . . 147 13 19 PRO CD C 50.1763 . . 148 14 20 THR H H 8.0618 . . 149 14 20 THR HA H 3.9055 . . 150 14 20 THR HB H 4.0854 . . 151 14 20 THR HG2 H 0.8925 . . 152 14 20 THR C C 174.3641 . . 153 14 20 THR CA C 63.1801 . . 154 14 20 THR CB C 68.1545 . . 155 14 20 THR CG2 C 22.1502 . . 156 14 20 THR N N 112.8229 . . 157 15 21 GLN H H 7.7580 . . 158 15 21 GLN HA H 4.5010 . . 159 15 21 GLN HB2 H 1.9104 . . 160 15 21 GLN HB3 H 2.0173 . . 161 15 21 GLN HG2 H 2.2353 . . 162 15 21 GLN HE21 H 7.5011 . . 163 15 21 GLN HE22 H 6.9094 . . 164 15 21 GLN C C 174.8153 . . 165 15 21 GLN CA C 54.3668 . . 166 15 21 GLN CB C 31.1161 . . 167 15 21 GLN CG C 33.8170 . . 168 15 21 GLN N N 119.7362 . . 169 15 21 GLN NE2 N 112.2662 . . 170 16 22 LEU H H 8.4584 . . 171 16 22 LEU HA H 4.3607 . . 172 16 22 LEU HB2 H 1.5562 . . 173 16 22 LEU HG H 1.5652 . . 174 16 22 LEU HD1 H 0.8172 . . 175 16 22 LEU HD2 H 0.8847 . . 176 16 22 LEU C C 172.1665 . . 177 16 22 LEU CA C 55.2969 . . 178 16 22 LEU CB C 42.0343 . . 179 16 22 LEU CG C 27.1146 . . 180 16 22 LEU CD1 C 23.9228 . . 181 16 22 LEU CD2 C 24.8554 . . 182 16 22 LEU N N 124.5833 . . 183 17 23 THR H H 8.3247 . . 184 17 23 THR HA H 4.6335 . . 185 17 23 THR HB H 4.3179 . . 186 17 23 THR HG2 H 1.2581 . . 187 17 23 THR C C 175.7027 . . 188 17 23 THR CA C 60.3583 . . 189 17 23 THR CB C 70.1099 . . 190 17 23 THR CG2 C 20.9078 . . 191 17 23 THR N N 116.7303 . . 192 18 24 ASP H H 8.4871 . . 193 18 24 ASP HA H 4.7423 . . 194 18 24 ASP HB2 H 2.7333 . . 195 18 24 ASP C C 173.6416 . . 196 18 24 ASP CA C 53.2132 . . 197 18 24 ASP CB C 39.9215 . . 198 18 24 ASP N N 122.8386 . . 199 19 25 GLU H H 7.9310 . . 200 19 25 GLU HA H 4.0734 . . 201 19 25 GLU HB2 H 1.6616 . . 202 19 25 GLU HG2 H 1.9613 . . 203 19 25 GLU HG3 H 2.1578 . . 204 19 25 GLU C C 174.2491 . . 205 19 25 GLU CA C 56.1502 . . 206 19 25 GLU CB C 29.3434 . . 207 19 25 GLU CG C 33.8611 . . 208 19 25 GLU N N 120.5234 . . 209 20 26 PHE H H 8.2786 . . 210 20 26 PHE HA H 4.7463 . . 211 20 26 PHE HB2 H 3.0930 . . 212 20 26 PHE HB3 H 2.9838 . . 213 20 26 PHE HD1 H 7.2237 . . 214 20 26 PHE HD2 H 7.2237 . . 215 20 26 PHE HE1 H 7.2290 . . 216 20 26 PHE HE2 H 7.2290 . . 217 20 26 PHE C C 174.8850 . . 218 20 26 PHE CA C 57.5137 . . 219 20 26 PHE CB C 40.4826 . . 220 20 26 PHE CD1 C 132.1931 . . 221 20 26 PHE CD2 C 132.1931 . . 222 20 26 PHE CE1 C 131.4236 . . 223 20 26 PHE CE2 C 131.4236 . . 224 20 26 PHE N N 118.5002 . . 225 21 27 GLU H H 7.0217 . . 226 21 27 GLU HA H 5.0098 . . 227 21 27 GLU HB2 H 1.6279 . . 228 21 27 GLU HB3 H 1.8216 . . 229 21 27 GLU HG2 H 2.1249 . . 230 21 27 GLU C C 174.9005 . . 231 21 27 GLU CA C 54.2729 . . 232 21 27 GLU CB C 31.3730 . . 233 21 27 GLU CG C 33.1586 . . 234 21 27 GLU N N 117.0801 . . 235 22 28 PHE H H 8.9744 . . 236 22 28 PHE HA H 4.9686 . . 237 22 28 PHE HB2 H 2.7957 . . 238 22 28 PHE HB3 H 3.1394 . . 239 22 28 PHE HD1 H 7.2982 . . 240 22 28 PHE HD2 H 7.2982 . . 241 22 28 PHE HE1 H 7.2807 . . 242 22 28 PHE HE2 H 7.2807 . . 243 22 28 PHE C C 176.7085 . . 244 22 28 PHE CA C 54.7760 . . 245 22 28 PHE CB C 41.7460 . . 246 22 28 PHE CD1 C 132.4076 . . 247 22 28 PHE CD2 C 132.4076 . . 248 22 28 PHE CE1 C 131.4945 . . 249 22 28 PHE CE2 C 131.4945 . . 250 22 28 PHE N N 119.6554 . . 251 23 29 PRO HA H 4.5879 . . 252 23 29 PRO HB2 H 1.8099 . . 253 23 29 PRO HB3 H 2.3819 . . 254 23 29 PRO HG2 H 2.0081 . . 255 23 29 PRO HD2 H 3.8095 . . 256 23 29 PRO C C 171.1626 . . 257 23 29 PRO CA C 62.4173 . . 258 23 29 PRO CB C 32.6553 . . 259 23 29 PRO CG C 27.4350 . . 260 23 29 PRO CD C 50.7294 . . 261 24 30 ILE H H 8.1988 . . 262 24 30 ILE HA H 3.4102 . . 263 24 30 ILE HB H 1.5724 . . 264 24 30 ILE HG12 H 1.0453 . . 265 24 30 ILE HG13 H 1.3513 . . 266 24 30 ILE HG2 H 0.7698 . . 267 24 30 ILE HD1 H 0.7432 . . 268 24 30 ILE C C 172.2829 . . 269 24 30 ILE CA C 64.0461 . . 270 24 30 ILE CB C 37.4486 . . 271 24 30 ILE CG1 C 28.3124 . . 272 24 30 ILE CG2 C 17.4356 . . 273 24 30 ILE CD1 C 13.3481 . . 274 24 30 ILE N N 123.2383 . . 275 25 31 GLY H H 9.0609 . . 276 25 31 GLY HA2 H 4.3899 . . 277 25 31 GLY HA3 H 3.4697 . . 278 25 31 GLY C C 174.9269 . . 279 25 31 GLY CA C 44.4227 . . 280 25 31 GLY N N 115.9622 . . 281 26 32 THR H H 7.7041 . . 282 26 32 THR HA H 4.0809 . . 283 26 32 THR HB H 3.9588 . . 284 26 32 THR HG2 H 1.4741 . . 285 26 32 THR C C 176.7230 . . 286 26 32 THR CA C 65.7108 . . 287 26 32 THR CB C 70.0840 . . 288 26 32 THR CG2 C 24.6202 . . 289 26 32 THR N N 117.1516 . . 290 27 33 TYR H H 8.5421 . . 291 27 33 TYR HA H 5.7917 . . 292 27 33 TYR HB2 H 2.7102 . . 293 27 33 TYR HB3 H 3.0714 . . 294 27 33 TYR HD1 H 7.2040 . . 295 27 33 TYR HD2 H 7.2040 . . 296 27 33 TYR HE1 H 6.8101 . . 297 27 33 TYR HE2 H 6.8101 . . 298 27 33 TYR C C 173.8354 . . 299 27 33 TYR CA C 55.8630 . . 300 27 33 TYR CB C 40.8759 . . 301 27 33 TYR CD1 C 133.1657 . . 302 27 33 TYR CD2 C 133.1657 . . 303 27 33 TYR CE1 C 118.1535 . . 304 27 33 TYR CE2 C 118.1535 . . 305 27 33 TYR N N 125.0936 . . 306 28 34 LEU H H 9.0000 . . 307 28 34 LEU HA H 4.7839 . . 308 28 34 LEU HB2 H 1.1148 . . 309 28 34 LEU HB3 H 1.3805 . . 310 28 34 LEU HG H 1.2844 . . 311 28 34 LEU HD1 H 0.7187 . . 312 28 34 LEU HD2 H -0.0848 . . 313 28 34 LEU C C 172.8077 . . 314 28 34 LEU CA C 53.1830 . . 315 28 34 LEU CB C 45.9383 . . 316 28 34 LEU CG C 26.5507 . . 317 28 34 LEU CD1 C 22.6631 . . 318 28 34 LEU CD2 C 26.3450 . . 319 28 34 LEU N N 120.7136 . . 320 29 35 ASN H H 8.5438 . . 321 29 35 ASN HA H 4.8996 . . 322 29 35 ASN HB2 H 2.5973 . . 323 29 35 ASN HB3 H 2.9004 . . 324 29 35 ASN C C 174.7830 . . 325 29 35 ASN CA C 54.2316 . . 326 29 35 ASN CB C 39.1914 . . 327 29 35 ASN N N 121.6173 . . 328 30 36 TYR H H 9.3240 . . 329 30 36 TYR HA H 4.6860 . . 330 30 36 TYR HD1 H 6.3973 . . 331 30 36 TYR HD2 H 6.3973 . . 332 30 36 TYR HE1 H 6.0826 . . 333 30 36 TYR HE2 H 6.0826 . . 334 30 36 TYR C C 174.9110 . . 335 30 36 TYR CA C 56.9008 . . 336 30 36 TYR CB C 44.8420 . . 337 30 36 TYR CD1 C 131.4188 . . 338 30 36 TYR CD2 C 131.4188 . . 339 30 36 TYR CE1 C 117.1692 . . 340 30 36 TYR CE2 C 117.1692 . . 341 30 36 TYR N N 126.7384 . . 342 31 37 GLU H H 8.5530 . . 343 31 37 GLU HA H 4.7096 . . 344 31 37 GLU HB2 H 1.7589 . . 345 31 37 GLU HB3 H 1.8934 . . 346 31 37 GLU C C 173.6941 . . 347 31 37 GLU CA C 53.1190 . . 348 31 37 GLU CB C 32.6260 . . 349 31 37 GLU N N 114.1164 . . 350 32 38 CYS H H 9.7835 . . 351 32 38 CYS HA H 5.0514 . . 352 32 38 CYS HB2 H 2.6933 . . 353 32 38 CYS HB3 H 2.9915 . . 354 32 38 CYS C C 173.5532 . . 355 32 38 CYS CA C 54.4797 . . 356 32 38 CYS CB C 37.4872 . . 357 32 38 CYS N N 121.0861 . . 358 33 39 ARG H H 7.8978 . . 359 33 39 ARG C C 176.8220 . . 360 33 39 ARG CA C 56.3108 . . 361 33 39 ARG CB C 29.3435 . . 362 33 39 ARG N N 123.4184 . . 363 34 40 PRO HA H 4.3802 . . 364 34 40 PRO HB2 H 2.9886 . . 365 34 40 PRO HB3 H 3.1278 . . 366 34 40 PRO CA C 64.0555 . . 367 34 40 PRO CB C 31.3353 . . 368 35 41 GLY H H 8.3776 . . 369 35 41 GLY HA2 H 2.2101 . . 370 35 41 GLY HA3 H 3.0739 . . 371 35 41 GLY C C 177.5464 . . 372 35 41 GLY CA C 43.8988 . . 373 35 41 GLY N N 111.0386 . . 374 36 42 TYR H H 8.1746 . . 375 36 42 TYR HA H 5.0209 . . 376 36 42 TYR HB2 H 2.5491 . . 377 36 42 TYR HB3 H 3.5063 . . 378 36 42 TYR HD1 H 7.1994 . . 379 36 42 TYR HD2 H 7.1994 . . 380 36 42 TYR HE1 H 6.8259 . . 381 36 42 TYR HE2 H 6.8259 . . 382 36 42 TYR C C 174.0054 . . 383 36 42 TYR CA C 56.4950 . . 384 36 42 TYR CB C 40.9807 . . 385 36 42 TYR CD1 C 130.6681 . . 386 36 42 TYR CD2 C 130.6681 . . 387 36 42 TYR CE1 C 118.0311 . . 388 36 42 TYR CE2 C 118.0311 . . 389 36 42 TYR N N 116.6822 . . 390 37 43 SER H H 9.7107 . . 391 37 43 SER HA H 4.8192 . . 392 37 43 SER HB2 H 3.7093 . . 393 37 43 SER C C 175.4418 . . 394 37 43 SER CA C 56.5338 . . 395 37 43 SER CB C 65.6421 . . 396 37 43 SER N N 115.8545 . . 397 38 44 GLY H H 8.2885 . . 398 38 44 GLY HA2 H 3.9091 . . 399 38 44 GLY HA3 H 5.0994 . . 400 38 44 GLY C C 175.8758 . . 401 38 44 GLY CA C 45.2679 . . 402 38 44 GLY N N 113.4350 . . 403 39 45 ARG H H 8.3499 . . 404 39 45 ARG HA H 4.7390 . . 405 39 45 ARG HB2 H 1.8466 . . 406 39 45 ARG HB3 H 2.0251 . . 407 39 45 ARG HD2 H 3.3091 . . 408 39 45 ARG C C 175.4126 . . 409 39 45 ARG CA C 54.7404 . . 410 39 45 ARG CB C 29.6341 . . 411 39 45 ARG CD C 43.4588 . . 412 39 45 ARG N N 124.1988 . . 413 40 46 PRO HA H 4.6582 . . 414 40 46 PRO HB2 H 2.5352 . . 415 40 46 PRO HG2 H 2.1132 . . 416 40 46 PRO HD2 H 3.6176 . . 417 40 46 PRO C C 173.7023 . . 418 40 46 PRO CA C 64.4699 . . 419 40 46 PRO CB C 32.1880 . . 420 40 46 PRO CG C 27.8155 . . 421 40 46 PRO CD C 50.4187 . . 422 41 47 PHE H H 8.0174 . . 423 41 47 PHE HA H 5.1630 . . 424 41 47 PHE HB2 H 3.0173 . . 425 41 47 PHE HD1 H 7.1904 . . 426 41 47 PHE HD2 H 7.1904 . . 427 41 47 PHE HE1 H 7.3507 . . 428 41 47 PHE HE2 H 7.3507 . . 429 41 47 PHE C C 176.8862 . . 430 41 47 PHE CA C 55.5664 . . 431 41 47 PHE CB C 41.2642 . . 432 41 47 PHE CD1 C 130.9855 . . 433 41 47 PHE CD2 C 130.9855 . . 434 41 47 PHE CE1 C 130.3747 . . 435 41 47 PHE CE2 C 130.3747 . . 436 41 47 PHE N N 118.3879 . . 437 42 48 SER H H 8.5405 . . 438 42 48 SER HA H 5.7709 . . 439 42 48 SER HB2 H 3.6247 . . 440 42 48 SER HB3 H 3.9117 . . 441 42 48 SER C C 174.9776 . . 442 42 48 SER CA C 56.6681 . . 443 42 48 SER CB C 66.1518 . . 444 42 48 SER N N 114.0563 . . 445 43 49 ILE H H 8.6374 . . 446 43 49 ILE HA H 5.0650 . . 447 43 49 ILE HB H 1.8626 . . 448 43 49 ILE HG2 H 0.4851 . . 449 43 49 ILE HD1 H -0.1707 . . 450 43 49 ILE C C 174.5350 . . 451 43 49 ILE CA C 60.0445 . . 452 43 49 ILE CB C 40.3545 . . 453 43 49 ILE CG2 C 17.7154 . . 454 43 49 ILE CD1 C 13.4710 . . 455 43 49 ILE N N 115.6691 . . 456 44 50 ILE H H 8.6866 . . 457 44 50 ILE HA H 5.2859 . . 458 44 50 ILE HB H 1.3410 . . 459 44 50 ILE HG12 H 1.0137 . . 460 44 50 ILE HG13 H 0.2046 . . 461 44 50 ILE HG2 H 0.5643 . . 462 44 50 ILE HD1 H 0.5949 . . 463 44 50 ILE C C 174.0334 . . 464 44 50 ILE CA C 59.6555 . . 465 44 50 ILE CB C 42.3303 . . 466 44 50 ILE CG1 C 27.3211 . . 467 44 50 ILE CG2 C 16.9106 . . 468 44 50 ILE CD1 C 14.3785 . . 469 44 50 ILE N N 120.2150 . . 470 45 51 CYS H H 7.9931 . . 471 45 51 CYS HA H 3.7516 . . 472 45 51 CYS HB2 H 1.1755 . . 473 45 51 CYS HB3 H 2.2444 . . 474 45 51 CYS C C 174.9459 . . 475 45 51 CYS CA C 55.0658 . . 476 45 51 CYS CB C 38.6115 . . 477 45 51 CYS N N 126.2568 . . 478 46 52 LEU H H 8.8262 . . 479 46 52 LEU HA H 4.4164 . . 480 46 52 LEU HB2 H 1.4874 . . 481 46 52 LEU HG H 1.6684 . . 482 46 52 LEU HD1 H 0.8039 . . 483 46 52 LEU HD2 H 0.7296 . . 484 46 52 LEU C C 172.1951 . . 485 46 52 LEU CA C 54.3438 . . 486 46 52 LEU CB C 44.2044 . . 487 46 52 LEU CG C 26.3420 . . 488 46 52 LEU CD1 C 25.2930 . . 489 46 52 LEU CD2 C 22.2973 . . 490 46 52 LEU N N 132.5139 . . 491 47 53 LYS H H 7.9491 . . 492 47 53 LYS HA H 3.9884 . . 493 47 53 LYS HB2 H 1.4659 . . 494 47 53 LYS HB3 H 1.5439 . . 495 47 53 LYS HG2 H 1.3526 . . 496 47 53 LYS HG3 H 1.3783 . . 497 47 53 LYS HD2 H 1.4546 . . 498 47 53 LYS HE2 H 2.6379 . . 499 47 53 LYS HE3 H 2.7480 . . 500 47 53 LYS C C 173.7808 . . 501 47 53 LYS CA C 57.9828 . . 502 47 53 LYS CB C 31.2077 . . 503 47 53 LYS CG C 26.9431 . . 504 47 53 LYS CD C 26.9734 . . 505 47 53 LYS CE C 43.2872 . . 506 47 53 LYS N N 115.2544 . . 507 48 54 ASN H H 8.4318 . . 508 48 54 ASN HA H 4.5359 . . 509 48 54 ASN HB2 H 2.7830 . . 510 48 54 ASN HB3 H 3.0296 . . 511 48 54 ASN CA C 53.5397 . . 512 48 54 ASN CB C 36.3724 . . 513 48 54 ASN N N 115.2826 . . 514 49 55 SER H H 8.4575 . . 515 49 55 SER HA H 3.9691 . . 516 49 55 SER HB2 H 4.0704 . . 517 49 55 SER HB3 H 4.1229 . . 518 49 55 SER CA C 59.7904 . . 519 49 55 SER CB C 60.8695 . . 520 49 55 SER N N 110.5947 . . 521 50 56 VAL H H 6.8403 . . 522 50 56 VAL HA H 4.3328 . . 523 50 56 VAL HB H 1.9666 . . 524 50 56 VAL HG1 H 0.8770 . . 525 50 56 VAL HG2 H 0.7927 . . 526 50 56 VAL C C 175.3466 . . 527 50 56 VAL CA C 59.8837 . . 528 50 56 VAL CB C 34.8367 . . 529 50 56 VAL CG1 C 19.9130 . . 530 50 56 VAL CG2 C 20.3860 . . 531 50 56 VAL N N 117.6800 . . 532 51 57 TRP H H 8.3103 . . 533 51 57 TRP HA H 5.3224 . . 534 51 57 TRP HB2 H 2.9731 . . 535 51 57 TRP HB3 H 3.0552 . . 536 51 57 TRP HD1 H 7.3312 . . 537 51 57 TRP HE1 H 10.2378 . . 538 51 57 TRP HE3 H 7.0416 . . 539 51 57 TRP HZ2 H 6.9144 . . 540 51 57 TRP HZ3 H 6.7581 . . 541 51 57 TRP HH2 H 6.2353 . . 542 51 57 TRP C C 170.7363 . . 543 51 57 TRP CA C 55.9374 . . 544 51 57 TRP CB C 30.7911 . . 545 51 57 TRP CD1 C 126.9455 . . 546 51 57 TRP CE3 C 120.9222 . . 547 51 57 TRP CZ2 C 113.1909 . . 548 51 57 TRP CZ3 C 121.8935 . . 549 51 57 TRP CH2 C 122.9303 . . 550 51 57 TRP N N 123.5102 . . 551 51 57 TRP NE1 N 128.7202 . . 552 52 58 THR H H 9.0257 . . 553 52 58 THR HA H 4.6560 . . 554 52 58 THR HB H 4.1594 . . 555 52 58 THR HG2 H 1.3172 . . 556 52 58 THR C C 175.7803 . . 557 52 58 THR CA C 61.3758 . . 558 52 58 THR CB C 70.7229 . . 559 52 58 THR CG2 C 21.8382 . . 560 52 58 THR N N 115.9619 . . 561 53 59 GLY H H 8.2924 . . 562 53 59 GLY HA2 H 3.9280 . . 563 53 59 GLY HA3 H 4.5262 . . 564 53 59 GLY C C 174.8807 . . 565 53 59 GLY CA C 45.3441 . . 566 53 59 GLY N N 108.5211 . . 567 54 60 ALA H H 8.4431 . . 568 54 60 ALA HA H 4.1534 . . 569 54 60 ALA HB H 1.2122 . . 570 54 60 ALA C C 172.7857 . . 571 54 60 ALA CA C 51.6968 . . 572 54 60 ALA CB C 19.7136 . . 573 54 60 ALA N N 121.8568 . . 574 55 61 LYS H H 7.6120 . . 575 55 61 LYS HA H 3.7440 . . 576 55 61 LYS HB2 H 1.6137 . . 577 55 61 LYS HB3 H 1.6654 . . 578 55 61 LYS HG2 H 1.2514 . . 579 55 61 LYS HG3 H 1.3423 . . 580 55 61 LYS HD2 H 1.5916 . . 581 55 61 LYS HE2 H 2.9665 . . 582 55 61 LYS C C 172.5188 . . 583 55 61 LYS CA C 57.9445 . . 584 55 61 LYS CB C 32.6318 . . 585 55 61 LYS CG C 24.9712 . . 586 55 61 LYS CD C 29.4076 . . 587 55 61 LYS CE C 41.8946 . . 588 55 61 LYS N N 118.3178 . . 589 56 62 ASP H H 8.5549 . . 590 56 62 ASP HA H 4.1166 . . 591 56 62 ASP HB2 H 2.5283 . . 592 56 62 ASP HB3 H 2.7483 . . 593 56 62 ASP C C 173.6997 . . 594 56 62 ASP CA C 55.3839 . . 595 56 62 ASP CB C 39.1701 . . 596 56 62 ASP N N 119.2136 . . 597 57 63 ARG H H 7.3518 . . 598 57 63 ARG HA H 3.8803 . . 599 57 63 ARG HB2 H 0.9467 . . 600 57 63 ARG HB3 H 1.1415 . . 601 57 63 ARG HG2 H 0.0475 . . 602 57 63 ARG HG3 H 0.8292 . . 603 57 63 ARG HD2 H 2.4957 . . 604 57 63 ARG HD3 H 2.7334 . . 605 57 63 ARG C C 171.6383 . . 606 57 63 ARG CA C 55.9271 . . 607 57 63 ARG CB C 32.1572 . . 608 57 63 ARG CG C 25.4990 . . 609 57 63 ARG CD C 42.6495 . . 610 57 63 ARG N N 116.0064 . . 611 58 64 CYS H H 7.5867 . . 612 58 64 CYS HA H 5.5742 . . 613 58 64 CYS HB2 H 2.4226 . . 614 58 64 CYS HB3 H 2.9435 . . 615 58 64 CYS C C 175.5755 . . 616 58 64 CYS CA C 52.8516 . . 617 58 64 CYS CB C 43.5759 . . 618 58 64 CYS N N 115.0001 . . 619 59 65 ARG H H 8.9837 . . 620 59 65 ARG HA H 4.7601 . . 621 59 65 ARG HB2 H 1.6895 . . 622 59 65 ARG HB3 H 1.8016 . . 623 59 65 ARG HG2 H 1.5548 . . 624 59 65 ARG HD2 H 3.1199 . . 625 59 65 ARG HD3 H 3.2853 . . 626 59 65 ARG C C 173.5660 . . 627 59 65 ARG CA C 54.2386 . . 628 59 65 ARG CB C 32.8020 . . 629 59 65 ARG CG C 26.9711 . . 630 59 65 ARG CD C 43.3601 . . 631 59 65 ARG N N 123.4398 . . 632 60 66 ARG H H 9.1626 . . 633 60 66 ARG HA H 3.6514 . . 634 60 66 ARG HB2 H 1.6952 . . 635 60 66 ARG HB3 H 1.7360 . . 636 60 66 ARG HG2 H 1.3545 . . 637 60 66 ARG HD2 H 3.1243 . . 638 60 66 ARG HD3 H 3.2779 . . 639 60 66 ARG C C 172.1190 . . 640 60 66 ARG CA C 58.2976 . . 641 60 66 ARG CB C 31.2683 . . 642 60 66 ARG CG C 29.7462 . . 643 60 66 ARG CD C 43.3848 . . 644 60 66 ARG N N 125.6440 . . 645 61 67 LYS H H 8.6011 . . 646 61 67 LYS HA H 4.1166 . . 647 61 67 LYS HB2 H 1.7303 . . 648 61 67 LYS HB3 H 1.2508 . . 649 61 67 LYS HG2 H 1.0790 . . 650 61 67 LYS HD2 H 1.0807 . . 651 61 67 LYS HE2 H 2.6681 . . 652 61 67 LYS HE3 H 2.8236 . . 653 61 67 LYS C C 173.7911 . . 654 61 67 LYS CA C 57.1984 . . 655 61 67 LYS CB C 35.2140 . . 656 61 67 LYS CG C 27.3603 . . 657 61 67 LYS CD C 30.0860 . . 658 61 67 LYS CE C 42.0092 . . 659 61 67 LYS N N 124.2169 . . 660 62 68 SER H H 8.4942 . . 661 62 68 SER HA H 4.7648 . . 662 62 68 SER HB2 H 3.5409 . . 663 62 68 SER HB3 H 3.7326 . . 664 62 68 SER C C 175.0186 . . 665 62 68 SER CA C 58.2274 . . 666 62 68 SER CB C 65.3868 . . 667 62 68 SER N N 114.1201 . . 668 63 69 CYS H H 8.3594 . . 669 63 69 CYS HA H 4.0684 . . 670 63 69 CYS HB2 H 2.1448 . . 671 63 69 CYS HB3 H 2.2136 . . 672 63 69 CYS C C 176.0762 . . 673 63 69 CYS CA C 61.2671 . . 674 63 69 CYS CB C 40.7677 . . 675 63 69 CYS N N 122.8576 . . 676 64 70 ARG H H 8.4958 . . 677 64 70 ARG HA H 4.1660 . . 678 64 70 ARG HB2 H 1.8175 . . 679 64 70 ARG HB3 H 1.9055 . . 680 64 70 ARG HG2 H 1.6886 . . 681 64 70 ARG HD2 H 3.2926 . . 682 64 70 ARG C C 173.0767 . . 683 64 70 ARG CA C 55.9803 . . 684 64 70 ARG CB C 30.4594 . . 685 64 70 ARG CG C 27.1273 . . 686 64 70 ARG CD C 43.7124 . . 687 64 70 ARG N N 118.1454 . . 688 65 71 ASN H H 8.6915 . . 689 65 71 ASN HA H 4.7336 . . 690 65 71 ASN HB2 H 2.6918 . . 691 65 71 ASN HB3 H 2.7198 . . 692 65 71 ASN HD21 H 7.5864 . . 693 65 71 ASN HD22 H 6.8882 . . 694 65 71 ASN C C 175.1167 . . 695 65 71 ASN CA C 52.1119 . . 696 65 71 ASN CB C 38.3672 . . 697 65 71 ASN N N 122.3025 . . 698 65 71 ASN ND2 N 113.3127 . . 699 67 73 PRO HA H 4.4834 . . 700 67 73 PRO HB2 H 1.7735 . . 701 67 73 PRO HB3 H 2.1893 . . 702 67 73 PRO HG2 H 1.8715 . . 703 67 73 PRO HG3 H 1.9560 . . 704 67 73 PRO HD2 H 3.6749 . . 705 67 73 PRO HD3 H 3.8157 . . 706 67 73 PRO C C 172.2280 . . 707 67 73 PRO CA C 61.6662 . . 708 67 73 PRO CB C 32.4872 . . 709 67 73 PRO CG C 27.2241 . . 710 67 73 PRO CD C 50.5927 . . 711 68 74 ASP H H 8.2007 . . 712 68 74 ASP HA H 4.6422 . . 713 68 74 ASP HB2 H 2.2544 . . 714 68 74 ASP HB3 H 2.7641 . . 715 68 74 ASP C C 173.9512 . . 716 68 74 ASP CA C 53.1793 . . 717 68 74 ASP CB C 40.4995 . . 718 68 74 ASP N N 118.1843 . . 719 69 75 PRO HA H 4.2359 . . 720 69 75 PRO HB2 H 1.2710 . . 721 69 75 PRO HB3 H 2.1204 . . 722 69 75 PRO HG2 H 1.7010 . . 723 69 75 PRO HD2 H 3.3047 . . 724 69 75 PRO C C 172.3495 . . 725 69 75 PRO CA C 61.9112 . . 726 69 75 PRO CB C 31.2346 . . 727 69 75 PRO CG C 27.6435 . . 728 69 75 PRO CD C 50.3165 . . 729 70 76 VAL H H 8.2509 . . 730 70 76 VAL HA H 3.6592 . . 731 70 76 VAL HB H 1.8713 . . 732 70 76 VAL HG1 H 1.0048 . . 733 70 76 VAL HG2 H 0.9191 . . 734 70 76 VAL C C 171.2310 . . 735 70 76 VAL CA C 64.6643 . . 736 70 76 VAL CB C 30.8507 . . 737 70 76 VAL CG1 C 21.9508 . . 738 70 76 VAL CG2 C 21.0369 . . 739 70 76 VAL N N 125.7448 . . 740 71 77 ASN H H 8.9942 . . 741 71 77 ASN HA H 4.0008 . . 742 71 77 ASN HB2 H 1.5066 . . 743 71 77 ASN HB3 H 2.5831 . . 744 71 77 ASN C C 176.1674 . . 745 71 77 ASN CA C 55.5199 . . 746 71 77 ASN CB C 36.2418 . . 747 71 77 ASN N N 119.7024 . . 748 72 78 GLY H H 7.6371 . . 749 72 78 GLY HA2 H 4.2871 . . 750 72 78 GLY HA3 H 4.4114 . . 751 72 78 GLY C C 177.7319 . . 752 72 78 GLY CA C 47.0976 . . 753 72 78 GLY N N 104.2545 . . 754 73 79 MET H H 8.8192 . . 755 73 79 MET HA H 4.8867 . . 756 73 79 MET HB2 H 1.6394 . . 757 73 79 MET HG2 H 2.1204 . . 758 73 79 MET HE H 1.8438 . . 759 73 79 MET C C 175.1283 . . 760 73 79 MET CA C 54.8899 . . 761 73 79 MET CB C 36.8367 . . 762 73 79 MET CG C 31.6172 . . 763 73 79 MET CE C 16.9345 . . 764 73 79 MET N N 116.5288 . . 765 74 80 VAL H H 8.7963 . . 766 74 80 VAL HA H 4.6034 . . 767 74 80 VAL HB H 1.8087 . . 768 74 80 VAL HG1 H 0.2232 . . 769 74 80 VAL HG2 H 0.6996 . . 770 74 80 VAL C C 176.5726 . . 771 74 80 VAL CA C 59.0094 . . 772 74 80 VAL CB C 34.5020 . . 773 74 80 VAL CG1 C 23.8894 . . 774 74 80 VAL CG2 C 18.3033 . . 775 74 80 VAL N N 122.5110 . . 776 75 81 HIS H H 8.9766 . . 777 75 81 HIS HA H 4.7141 . . 778 75 81 HIS HB2 H 2.8988 . . 779 75 81 HIS HB3 H 2.9701 . . 780 75 81 HIS HD2 H 6.6887 . . 781 75 81 HIS HE1 H 8.5061 . . 782 75 81 HIS C C 175.5004 . . 783 75 81 HIS CA C 53.6853 . . 784 75 81 HIS CB C 29.0078 . . 785 75 81 HIS CD2 C 120.1981 . . 786 75 81 HIS CE1 C 137.0563 . . 787 75 81 HIS N N 125.1998 . . 788 76 82 VAL H H 8.9264 . . 789 76 82 VAL HA H 4.1722 . . 790 76 82 VAL HB H 2.0760 . . 791 76 82 VAL HG1 H 0.8444 . . 792 76 82 VAL HG2 H 0.7691 . . 793 76 82 VAL C C 173.2570 . . 794 76 82 VAL CA C 62.1984 . . 795 76 82 VAL CB C 31.3405 . . 796 76 82 VAL CG1 C 21.7626 . . 797 76 82 VAL CG2 C 20.6082 . . 798 76 82 VAL N N 127.4563 . . 799 77 83 ILE H H 7.9784 . . 800 77 83 ILE HA H 4.1510 . . 801 77 83 ILE HB H 1.9440 . . 802 77 83 ILE HG12 H 1.2141 . . 803 77 83 ILE HG13 H 1.4556 . . 804 77 83 ILE HG2 H 0.9473 . . 805 77 83 ILE HD1 H 0.8049 . . 806 77 83 ILE C C 172.7443 . . 807 77 83 ILE CA C 62.9343 . . 808 77 83 ILE CB C 39.1725 . . 809 77 83 ILE CG1 C 27.4402 . . 810 77 83 ILE CG2 C 17.8947 . . 811 77 83 ILE CD1 C 12.9348 . . 812 77 83 ILE N N 126.7559 . . 813 78 84 LYS H H 9.4151 . . 814 78 84 LYS HA H 4.5771 . . 815 78 84 LYS HB2 H 1.7779 . . 816 78 84 LYS HB3 H 2.0812 . . 817 78 84 LYS HG2 H 1.4419 . . 818 78 84 LYS HG3 H 1.4685 . . 819 78 84 LYS HD2 H 1.7163 . . 820 78 84 LYS HE2 H 2.9928 . . 821 78 84 LYS C C 172.8002 . . 822 78 84 LYS CA C 55.3829 . . 823 78 84 LYS CB C 32.8524 . . 824 78 84 LYS CG C 25.0570 . . 825 78 84 LYS CD C 29.0467 . . 826 78 84 LYS CE C 42.0528 . . 827 78 84 LYS N N 123.4271 . . 828 79 85 GLY H H 7.8567 . . 829 79 85 GLY HA2 H 3.8540 . . 830 79 85 GLY HA3 H 4.3736 . . 831 79 85 GLY C C 176.2210 . . 832 79 85 GLY CA C 44.8821 . . 833 79 85 GLY N N 108.7766 . . 834 80 86 ILE H H 8.0761 . . 835 80 86 ILE HA H 4.9578 . . 836 80 86 ILE HB H 2.4889 . . 837 80 86 ILE HG2 H 1.0083 . . 838 80 86 ILE HD1 H 0.9291 . . 839 80 86 ILE C C 174.8831 . . 840 80 86 ILE CA C 60.6574 . . 841 80 86 ILE CB C 38.7110 . . 842 80 86 ILE CG2 C 18.5538 . . 843 80 86 ILE CD1 C 13.7929 . . 844 80 86 ILE N N 109.1306 . . 845 81 87 GLN H H 7.6824 . . 846 81 87 GLN HA H 4.6662 . . 847 81 87 GLN HB2 H 1.8342 . . 848 81 87 GLN HB3 H 1.9727 . . 849 81 87 GLN HE21 H 7.4172 . . 850 81 87 GLN HE22 H 6.8607 . . 851 81 87 GLN C C 172.9886 . . 852 81 87 GLN CA C 55.5012 . . 853 81 87 GLN CB C 30.6739 . . 854 81 87 GLN CG C 34.3532 . . 855 81 87 GLN N N 116.7321 . . 856 81 87 GLN NE2 N 112.0347 . . 857 82 88 PHE H H 8.6150 . . 858 82 88 PHE HA H 3.8800 . . 859 82 88 PHE HB2 H 2.3988 . . 860 82 88 PHE HB3 H 3.0715 . . 861 82 88 PHE HD1 H 6.7426 . . 862 82 88 PHE HD2 H 6.7426 . . 863 82 88 PHE HE1 H 7.3951 . . 864 82 88 PHE HE2 H 7.3951 . . 865 82 88 PHE C C 173.6805 . . 866 82 88 PHE CA C 58.6852 . . 867 82 88 PHE CB C 40.1191 . . 868 82 88 PHE CD1 C 130.9733 . . 869 82 88 PHE CD2 C 130.9733 . . 870 82 88 PHE CE1 C 131.8809 . . 871 82 88 PHE CE2 C 131.8809 . . 872 82 88 PHE N N 119.7730 . . 873 83 89 GLY H H 9.0856 . . 874 83 89 GLY HA2 H 3.2943 . . 875 83 89 GLY HA3 H 3.9614 . . 876 83 89 GLY C C 174.6621 . . 877 83 89 GLY CA C 44.4910 . . 878 83 89 GLY N N 119.5073 . . 879 84 90 SER H H 8.5729 . . 880 84 90 SER HA H 4.4154 . . 881 84 90 SER HB2 H 3.9011 . . 882 84 90 SER C C 177.2474 . . 883 84 90 SER CA C 60.1113 . . 884 84 90 SER CB C 64.2805 . . 885 84 90 SER N N 118.1276 . . 886 85 91 GLN H H 8.2112 . . 887 85 91 GLN HA H 5.8188 . . 888 85 91 GLN HB2 H 1.9737 . . 889 85 91 GLN HB3 H 2.0576 . . 890 85 91 GLN HG2 H 2.3467 . . 891 85 91 GLN HG3 H 2.4206 . . 892 85 91 GLN C C 172.7954 . . 893 85 91 GLN CA C 54.1647 . . 894 85 91 GLN CB C 32.7439 . . 895 85 91 GLN CG C 34.6718 . . 896 85 91 GLN N N 119.9135 . . 897 86 92 ILE H H 9.2148 . . 898 86 92 ILE HA H 4.7566 . . 899 86 92 ILE HB H 1.2573 . . 900 86 92 ILE HG2 H 0.7096 . . 901 86 92 ILE HD1 H -0.6638 . . 902 86 92 ILE C C 174.9689 . . 903 86 92 ILE CA C 59.8268 . . 904 86 92 ILE CB C 40.7944 . . 905 86 92 ILE CG2 C 19.7444 . . 906 86 92 ILE CD1 C 12.5080 . . 907 86 92 ILE N N 119.7239 . . 908 87 93 LYS H H 7.5997 . . 909 87 93 LYS HA H 5.2352 . . 910 87 93 LYS HB2 H 1.5224 . . 911 87 93 LYS HB3 H 1.9403 . . 912 87 93 LYS HG2 H 1.3347 . . 913 87 93 LYS HG3 H 1.3702 . . 914 87 93 LYS HD2 H 1.6138 . . 915 87 93 LYS HE2 H 2.8438 . . 916 87 93 LYS C C 174.5989 . . 917 87 93 LYS CA C 53.7132 . . 918 87 93 LYS CB C 36.8274 . . 919 87 93 LYS CG C 25.3251 . . 920 87 93 LYS CD C 28.8306 . . 921 87 93 LYS CE C 42.1037 . . 922 87 93 LYS N N 117.1351 . . 923 88 94 TYR H H 8.6013 . . 924 88 94 TYR HA H 5.4219 . . 925 88 94 TYR HB2 H 2.4769 . . 926 88 94 TYR HB3 H 2.6864 . . 927 88 94 TYR HD1 H 6.6722 . . 928 88 94 TYR HD2 H 6.6722 . . 929 88 94 TYR C C 174.4071 . . 930 88 94 TYR CA C 56.9352 . . 931 88 94 TYR CB C 43.9586 . . 932 88 94 TYR CD1 C 130.5401 . . 933 88 94 TYR CD2 C 130.5401 . . 934 88 94 TYR N N 119.0043 . . 935 89 95 SER H H 9.0069 . . 936 89 95 SER HA H 4.6677 . . 937 89 95 SER HB2 H 3.8896 . . 938 89 95 SER HB3 H 4.1235 . . 939 89 95 SER C C 177.1362 . . 940 89 95 SER CA C 57.2907 . . 941 89 95 SER CB C 66.5336 . . 942 89 95 SER N N 113.2284 . . 943 90 96 CYS H H 8.8059 . . 944 90 96 CYS HA H 5.4210 . . 945 90 96 CYS HB2 H 2.5046 . . 946 90 96 CYS HB3 H 3.0416 . . 947 90 96 CYS C C 173.8116 . . 948 90 96 CYS CA C 53.0842 . . 949 90 96 CYS CB C 41.4042 . . 950 90 96 CYS N N 116.0086 . . 951 91 97 THR H H 8.7370 . . 952 91 97 THR HA H 3.9938 . . 953 91 97 THR HB H 3.8609 . . 954 91 97 THR HG2 H 1.3008 . . 955 91 97 THR C C 176.4450 . . 956 91 97 THR CA C 63.4395 . . 957 91 97 THR CB C 69.6075 . . 958 91 97 THR CG2 C 22.0561 . . 959 91 97 THR N N 120.8126 . . 960 92 98 LYS H H 8.3252 . . 961 92 98 LYS HA H 4.1041 . . 962 92 98 LYS HB2 H 1.7896 . . 963 92 98 LYS HB3 H 1.8842 . . 964 92 98 LYS HG2 H 1.4011 . . 965 92 98 LYS HG3 H 1.5025 . . 966 92 98 LYS HD2 H 1.7035 . . 967 92 98 LYS HE2 H 2.9868 . . 968 92 98 LYS C C 172.3104 . . 969 92 98 LYS CA C 58.8873 . . 970 92 98 LYS CB C 32.1395 . . 971 92 98 LYS CG C 24.5431 . . 972 92 98 LYS CD C 29.4137 . . 973 92 98 LYS CE C 42.1022 . . 974 92 98 LYS N N 124.9632 . . 975 93 99 GLY H H 8.8271 . . 976 93 99 GLY HA2 H 3.5216 . . 977 93 99 GLY HA3 H 4.2197 . . 978 93 99 GLY C C 175.1269 . . 979 93 99 GLY CA C 44.7105 . . 980 93 99 GLY N N 113.6080 . . 981 94 100 TYR H H 8.2812 . . 982 94 100 TYR HA H 4.6417 . . 983 94 100 TYR HB2 H 2.5141 . . 984 94 100 TYR HB3 H 3.2490 . . 985 94 100 TYR HD1 H 6.7166 . . 986 94 100 TYR HD2 H 6.7166 . . 987 94 100 TYR HE1 H 6.6579 . . 988 94 100 TYR HE2 H 6.6579 . . 989 94 100 TYR C C 174.5477 . . 990 94 100 TYR CA C 57.1578 . . 991 94 100 TYR CB C 40.1938 . . 992 94 100 TYR CD1 C 133.1372 . . 993 94 100 TYR CD2 C 133.1372 . . 994 94 100 TYR CE1 C 117.6587 . . 995 94 100 TYR CE2 C 117.6587 . . 996 94 100 TYR N N 119.8999 . . 997 95 101 ARG H H 9.6085 . . 998 95 101 ARG HA H 4.5277 . . 999 95 101 ARG HB2 H 1.6845 . . 1000 95 101 ARG HB3 H 1.7680 . . 1001 95 101 ARG HG2 H 1.5510 . . 1002 95 101 ARG HD2 H 3.1472 . . 1003 95 101 ARG C C 175.1785 . . 1004 95 101 ARG CA C 54.5535 . . 1005 95 101 ARG CB C 32.2014 . . 1006 95 101 ARG CG C 27.3699 . . 1007 95 101 ARG CD C 43.4734 . . 1008 95 101 ARG N N 122.4306 . . 1009 96 102 LEU H H 8.2306 . . 1010 96 102 LEU HA H 4.6623 . . 1011 96 102 LEU HB2 H 1.4636 . . 1012 96 102 LEU HB3 H 1.6528 . . 1013 96 102 LEU HG H 1.1739 . . 1014 96 102 LEU HD1 H 0.6279 . . 1015 96 102 LEU HD2 H 0.4882 . . 1016 96 102 LEU C C 172.4204 . . 1017 96 102 LEU CA C 56.5027 . . 1018 96 102 LEU CB C 42.8057 . . 1019 96 102 LEU CG C 28.1562 . . 1020 96 102 LEU CD1 C 26.0821 . . 1021 96 102 LEU CD2 C 25.4652 . . 1022 96 102 LEU N N 125.6524 . . 1023 97 103 ILE H H 9.6605 . . 1024 97 103 ILE HA H 4.2399 . . 1025 97 103 ILE HB H 1.8732 . . 1026 97 103 ILE HG12 H 1.1103 . . 1027 97 103 ILE HG13 H 1.4248 . . 1028 97 103 ILE HG2 H 0.8139 . . 1029 97 103 ILE HD1 H 0.7788 . . 1030 97 103 ILE C C 174.1576 . . 1031 97 103 ILE CA C 61.1692 . . 1032 97 103 ILE CB C 37.8026 . . 1033 97 103 ILE CG1 C 26.6386 . . 1034 97 103 ILE CG2 C 17.2861 . . 1035 97 103 ILE CD1 C 13.1022 . . 1036 97 103 ILE N N 131.5967 . . 1037 98 104 GLY H H 8.4648 . . 1038 98 104 GLY HA2 H 3.6171 . . 1039 98 104 GLY HA3 H 4.5428 . . 1040 98 104 GLY C C 176.9235 . . 1041 98 104 GLY CA C 43.0640 . . 1042 98 104 GLY N N 116.7305 . . 1043 99 105 SER H H 8.7594 . . 1044 99 105 SER HA H 4.5092 . . 1045 99 105 SER HB2 H 3.7771 . . 1046 99 105 SER HB3 H 4.0186 . . 1047 99 105 SER C C 175.0127 . . 1048 99 105 SER CA C 58.3282 . . 1049 99 105 SER CB C 63.9962 . . 1050 99 105 SER N N 116.6316 . . 1051 100 106 SER H H 8.6175 . . 1052 100 106 SER HA H 4.4466 . . 1053 100 106 SER HB2 H 3.9350 . . 1054 100 106 SER HB3 H 4.3367 . . 1055 100 106 SER C C 175.4033 . . 1056 100 106 SER CA C 59.2089 . . 1057 100 106 SER CB C 64.0346 . . 1058 100 106 SER N N 116.6962 . . 1059 101 107 SER H H 7.9517 . . 1060 101 107 SER HA H 5.3456 . . 1061 101 107 SER HB2 H 3.8435 . . 1062 101 107 SER HB3 H 3.8889 . . 1063 101 107 SER C C 176.8882 . . 1064 101 107 SER CA C 57.0214 . . 1065 101 107 SER CB C 66.3907 . . 1066 101 107 SER N N 115.2473 . . 1067 102 108 ALA H H 8.2858 . . 1068 102 108 ALA HA H 5.0874 . . 1069 102 108 ALA HB H 1.5890 . . 1070 102 108 ALA C C 173.8074 . . 1071 102 108 ALA CA C 51.8229 . . 1072 102 108 ALA CB C 24.0707 . . 1073 102 108 ALA N N 121.4376 . . 1074 103 109 THR H H 9.6356 . . 1075 103 109 THR HA H 5.5600 . . 1076 103 109 THR HB H 3.8003 . . 1077 103 109 THR HG2 H 1.0448 . . 1078 103 109 THR C C 176.1587 . . 1079 103 109 THR CA C 61.3416 . . 1080 103 109 THR CB C 71.1706 . . 1081 103 109 THR CG2 C 21.2915 . . 1082 103 109 THR N N 118.0074 . . 1083 104 110 CYS H H 8.3380 . . 1084 104 110 CYS HA H 4.3663 . . 1085 104 110 CYS HB2 H 1.5931 . . 1086 104 110 CYS C C 174.8916 . . 1087 104 110 CYS CA C 55.4791 . . 1088 104 110 CYS CB C 39.1854 . . 1089 104 110 CYS N N 127.6024 . . 1090 105 111 ILE H H 9.3752 . . 1091 105 111 ILE HA H 4.9087 . . 1092 105 111 ILE HB H 2.0546 . . 1093 105 111 ILE HG2 H 1.0120 . . 1094 105 111 ILE HD1 H 0.9293 . . 1095 105 111 ILE C C 174.3899 . . 1096 105 111 ILE CA C 60.2213 . . 1097 105 111 ILE CB C 42.5220 . . 1098 105 111 ILE CG2 C 17.9680 . . 1099 105 111 ILE CD1 C 14.3450 . . 1100 105 111 ILE N N 126.7745 . . 1101 106 112 ILE H H 8.0411 . . 1102 106 112 ILE HA H 4.0700 . . 1103 106 112 ILE HB H 1.5296 . . 1104 106 112 ILE HG12 H 0.5791 . . 1105 106 112 ILE HG13 H 1.2683 . . 1106 106 112 ILE HG2 H 0.7921 . . 1107 106 112 ILE HD1 H 0.4877 . . 1108 106 112 ILE C C 172.5597 . . 1109 106 112 ILE CA C 61.8885 . . 1110 106 112 ILE CB C 39.6848 . . 1111 106 112 ILE CG1 C 28.4298 . . 1112 106 112 ILE CG2 C 17.9729 . . 1113 106 112 ILE CD1 C 14.3843 . . 1114 106 112 ILE N N 118.2564 . . 1115 107 113 SER H H 8.0134 . . 1116 107 113 SER HA H 4.3763 . . 1117 107 113 SER HB2 H 3.4140 . . 1118 107 113 SER C C 174.5937 . . 1119 107 113 SER CA C 57.1108 . . 1120 107 113 SER CB C 63.8347 . . 1121 107 113 SER N N 120.1668 . . 1122 108 114 GLY H H 9.1161 . . 1123 108 114 GLY HA2 H 3.6103 . . 1124 108 114 GLY HA3 H 3.9205 . . 1125 108 114 GLY C C 174.6646 . . 1126 108 114 GLY CA C 47.4878 . . 1127 108 114 GLY N N 119.0887 . . 1128 109 115 ASP H H 8.8446 . . 1129 109 115 ASP HA H 4.7607 . . 1130 109 115 ASP HB2 H 2.6371 . . 1131 109 115 ASP HB3 H 2.7091 . . 1132 109 115 ASP C C 173.7243 . . 1133 109 115 ASP CA C 53.7228 . . 1134 109 115 ASP CB C 41.2316 . . 1135 109 115 ASP N N 127.1427 . . 1136 110 116 THR H H 8.1344 . . 1137 110 116 THR HA H 4.6628 . . 1138 110 116 THR HB H 4.0666 . . 1139 110 116 THR HG2 H 1.2049 . . 1140 110 116 THR C C 175.6361 . . 1141 110 116 THR CA C 58.6120 . . 1142 110 116 THR CB C 71.1461 . . 1143 110 116 THR CG2 C 19.4705 . . 1144 110 116 THR N N 115.0438 . . 1145 111 117 VAL H H 8.3100 . . 1146 111 117 VAL HA H 5.3149 . . 1147 111 117 VAL HB H 1.9441 . . 1148 111 117 VAL HG1 H 0.4339 . . 1149 111 117 VAL HG2 H 0.3982 . . 1150 111 117 VAL C C 174.7523 . . 1151 111 117 VAL CA C 58.6408 . . 1152 111 117 VAL CB C 33.8243 . . 1153 111 117 VAL CG1 C 22.8951 . . 1154 111 117 VAL CG2 C 19.6553 . . 1155 111 117 VAL N N 115.7276 . . 1156 112 118 ILE H H 8.9453 . . 1157 112 118 ILE HA H 4.5059 . . 1158 112 118 ILE HB H 1.8812 . . 1159 112 118 ILE HG2 H 0.8068 . . 1160 112 118 ILE C C 174.6366 . . 1161 112 118 ILE CA C 59.4949 . . 1162 112 118 ILE CB C 43.1915 . . 1163 112 118 ILE CG2 C 18.0444 . . 1164 112 118 ILE N N 117.1157 . . 1165 113 119 TRP H H 7.5673 . . 1166 113 119 TRP HA H 5.1068 . . 1167 113 119 TRP HB2 H 3.1002 . . 1168 113 119 TRP HB3 H 3.3758 . . 1169 113 119 TRP HD1 H 7.2672 . . 1170 113 119 TRP HE1 H 10.6543 . . 1171 113 119 TRP HE3 H 7.1630 . . 1172 113 119 TRP HZ2 H 7.2186 . . 1173 113 119 TRP HZ3 H 7.0074 . . 1174 113 119 TRP HH2 H 6.9353 . . 1175 113 119 TRP C C 170.4133 . . 1176 113 119 TRP CA C 56.3766 . . 1177 113 119 TRP CB C 30.2962 . . 1178 113 119 TRP CD1 C 126.7320 . . 1179 113 119 TRP CE3 C 120.6065 . . 1180 113 119 TRP CZ2 C 113.3908 . . 1181 113 119 TRP CZ3 C 123.2667 . . 1182 113 119 TRP CH2 C 124.2543 . . 1183 113 119 TRP N N 121.7546 . . 1184 113 119 TRP NE1 N 128.0620 . . 1185 114 120 ASP H H 9.4507 . . 1186 114 120 ASP HA H 4.2067 . . 1187 114 120 ASP HB2 H 2.8414 . . 1188 114 120 ASP HB3 H 3.1317 . . 1189 114 120 ASP C C 174.0833 . . 1190 114 120 ASP CA C 55.4007 . . 1191 114 120 ASP CB C 40.1491 . . 1192 114 120 ASP N N 123.2862 . . 1193 115 121 GLN H H 7.3054 . . 1194 115 121 GLN HA H 4.7455 . . 1195 115 121 GLN HB2 H 2.7522 . . 1196 115 121 GLN HG2 H 2.3766 . . 1197 115 121 GLN C C 173.6391 . . 1198 115 121 GLN CA C 53.1827 . . 1199 115 121 GLN CB C 32.3229 . . 1200 115 121 GLN CG C 32.0933 . . 1201 115 121 GLN N N 116.1386 . . 1202 116 122 GLU H H 8.6149 . . 1203 116 122 GLU HA H 4.3304 . . 1204 116 122 GLU HB2 H 1.8486 . . 1205 116 122 GLU HB3 H 2.0565 . . 1206 116 122 GLU HG2 H 2.3794 . . 1207 116 122 GLU HG3 H 2.4036 . . 1208 116 122 GLU C C 173.5785 . . 1209 116 122 GLU CA C 55.1569 . . 1210 116 122 GLU CB C 30.2152 . . 1211 116 122 GLU CG C 35.4422 . . 1212 116 122 GLU N N 120.8806 . . 1213 117 123 THR H H 8.0746 . . 1214 117 123 THR HA H 3.6088 . . 1215 117 123 THR HB H 3.7465 . . 1216 117 123 THR HG2 H 1.1106 . . 1217 117 123 THR C C 176.6990 . . 1218 117 123 THR CA C 61.7574 . . 1219 117 123 THR CB C 69.7991 . . 1220 117 123 THR CG2 C 21.0710 . . 1221 117 123 THR N N 119.8894 . . 1222 118 124 PRO HA H 4.5316 . . 1223 118 124 PRO C C 175.2998 . . 1224 118 124 PRO CA C 62.3599 . . 1225 118 124 PRO CB C 32.8884 . . 1226 119 125 ILE H H 7.8740 . . 1227 119 125 ILE HA H 4.2873 . . 1228 119 125 ILE HB H 1.7198 . . 1229 119 125 ILE HG12 H 1.1411 . . 1230 119 125 ILE HG13 H 1.4284 . . 1231 119 125 ILE HG2 H 0.8309 . . 1232 119 125 ILE HD1 H 0.8069 . . 1233 119 125 ILE C C 174.7483 . . 1234 119 125 ILE CA C 59.2417 . . 1235 119 125 ILE CB C 41.1841 . . 1236 119 125 ILE CG1 C 27.7560 . . 1237 119 125 ILE CG2 C 17.8322 . . 1238 119 125 ILE CD1 C 13.0458 . . 1239 119 125 ILE N N 114.7294 . . 1240 120 126 CYS H H 8.5832 . . 1241 120 126 CYS HA H 5.5495 . . 1242 120 126 CYS HB2 H 2.4359 . . 1243 120 126 CYS HB3 H 3.2357 . . 1244 120 126 CYS C C 175.5826 . . 1245 120 126 CYS CA C 53.6941 . . 1246 120 126 CYS CB C 41.4498 . . 1247 120 126 CYS N N 123.4438 . . 1248 121 127 ASP H H 9.3086 . . 1249 121 127 ASP HA H 5.3074 . . 1250 121 127 ASP HB2 H 2.4665 . . 1251 121 127 ASP HB3 H 2.7509 . . 1252 121 127 ASP C C 174.4948 . . 1253 121 127 ASP CA C 52.2168 . . 1254 121 127 ASP CB C 44.4032 . . 1255 121 127 ASP N N 124.4592 . . 1256 122 128 ARG H H 8.4637 . . 1257 122 128 ARG HA H 3.9952 . . 1258 122 128 ARG HB2 H 1.4852 . . 1259 122 128 ARG HB3 H 1.5501 . . 1260 122 128 ARG CA C 58.2313 . . 1261 122 128 ARG CB C 31.0145 . . 1262 122 128 ARG N N 126.8203 . . stop_ save_