data_6454 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SdiA ; _BMRB_accession_number 6454 _BMRB_flat_file_name bmr6454.str _Entry_type original _Submission_date 2005-01-07 _Accession_date 2005-01-07 _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 Yao Yong . . 2 Martinez-Yamout Maria A. . 3 Dyson Jane H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 945 "13C chemical shifts" 574 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-07-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6379 'backbone assignment of the complex with HSL' stop_ _Original_release_date 2005-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone and side chain 1H, 13C and 15N assignments for Escherichia coli SdiA1-171, the autoinducer-binding domain of a quorum sensing protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15929010 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Yong . . 2 Martinez-Yamout Maria A. . 3 Dyson H. Jane . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 373 _Page_last 374 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_sdia _Saveframe_category molecular_system _Mol_system_name sdia _Abbreviation_common sdia _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sdia $sdia 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_sdia _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sdia _Abbreviation_common sdia _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; MSDKDFFSWRRTMLLRFQRM ETAEEVYHEIELQAQQLEYD YYSLCVRHPVPFTRPKVAFY TNYPEAWVSYYQAKNFLAID PVLNPENFSQGHLMWNDDLF SEAQPLWEAARAHGLRRGVT QYLMLPERALGFLSFSRCSA REIPILSDELQLKMQLLVRE SLMALMRLNDE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 LYS 5 ASP 6 PHE 7 PHE 8 SER 9 TRP 10 ARG 11 ARG 12 THR 13 MET 14 LEU 15 LEU 16 ARG 17 PHE 18 GLN 19 ARG 20 MET 21 GLU 22 THR 23 ALA 24 GLU 25 GLU 26 VAL 27 TYR 28 HIS 29 GLU 30 ILE 31 GLU 32 LEU 33 GLN 34 ALA 35 GLN 36 GLN 37 LEU 38 GLU 39 TYR 40 ASP 41 TYR 42 TYR 43 SER 44 LEU 45 CYS 46 VAL 47 ARG 48 HIS 49 PRO 50 VAL 51 PRO 52 PHE 53 THR 54 ARG 55 PRO 56 LYS 57 VAL 58 ALA 59 PHE 60 TYR 61 THR 62 ASN 63 TYR 64 PRO 65 GLU 66 ALA 67 TRP 68 VAL 69 SER 70 TYR 71 TYR 72 GLN 73 ALA 74 LYS 75 ASN 76 PHE 77 LEU 78 ALA 79 ILE 80 ASP 81 PRO 82 VAL 83 LEU 84 ASN 85 PRO 86 GLU 87 ASN 88 PHE 89 SER 90 GLN 91 GLY 92 HIS 93 LEU 94 MET 95 TRP 96 ASN 97 ASP 98 ASP 99 LEU 100 PHE 101 SER 102 GLU 103 ALA 104 GLN 105 PRO 106 LEU 107 TRP 108 GLU 109 ALA 110 ALA 111 ARG 112 ALA 113 HIS 114 GLY 115 LEU 116 ARG 117 ARG 118 GLY 119 VAL 120 THR 121 GLN 122 TYR 123 LEU 124 MET 125 LEU 126 PRO 127 GLU 128 ARG 129 ALA 130 LEU 131 GLY 132 PHE 133 LEU 134 SER 135 PHE 136 SER 137 ARG 138 CYS 139 SER 140 ALA 141 ARG 142 GLU 143 ILE 144 PRO 145 ILE 146 LEU 147 SER 148 ASP 149 GLU 150 LEU 151 GLN 152 LEU 153 LYS 154 MET 155 GLN 156 LEU 157 LEU 158 VAL 159 ARG 160 GLU 161 SER 162 LEU 163 MET 164 ALA 165 LEU 166 MET 167 ARG 168 LEU 169 ASN 170 ASP 171 GLU 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 BMRB 6379 quorum_sensing_protein 100.00 171 100.00 100.00 1.33e-122 PDB 2AVX "Solution Structure Of E Coli Sdia1-171" 100.00 171 100.00 100.00 1.33e-122 PDB 4LFU "Crystal Structure Of Escherichia Coli Sdia In The Space Group C2" 100.00 248 98.83 98.83 9.48e-122 PDB 4LGW "Crystal Structure Of Escherichia Coli Sdia In The Space Group P6522" 100.00 248 98.83 98.83 9.48e-122 DBJ BAA15736 "DNA-binding transcriptional activator [Escherichia coli str. K-12 substr. W3110]" 100.00 240 98.83 98.83 5.48e-122 DBJ BAB36077 "transcriptional regulator of ftsQAZ gene cluster [Escherichia coli O157:H7 str. Sakai]" 100.00 240 97.66 98.25 1.30e-120 DBJ BAG77671 "transcriptional regulator of ftsQAZ gene cluster [Escherichia coli SE11]" 100.00 244 97.66 97.66 1.96e-120 DBJ BAI26047 "DNA-binding transcriptional activator SdiA [Escherichia coli O26:H11 str. 11368]" 100.00 240 97.08 97.66 7.07e-120 DBJ BAI30964 "DNA-binding transcriptional activator SdiA [Escherichia coli O103:H2 str. 12009]" 100.00 240 97.08 97.08 6.34e-120 EMBL CAQ98852 "DNA-binding transcriptional activator [Escherichia coli IAI1]" 100.00 240 97.08 97.08 6.34e-120 EMBL CAR08247 "DNA-binding transcriptional activator [Escherichia coli ED1a]" 100.00 240 97.08 97.08 3.33e-119 EMBL CAR13401 "DNA-binding transcriptional activator [Escherichia coli UMN026]" 100.00 240 97.08 97.08 3.33e-119 EMBL CAU98011 "DNA-binding transcriptional activator [Escherichia coli 55989]" 100.00 240 97.08 97.08 2.68e-119 EMBL CBG34902 "regulatory protein [Escherichia coli 042]" 100.00 240 97.08 97.08 6.34e-120 GB AAC74983 "quorum-sensing transcriptional activator [Escherichia coli str. K-12 substr. MG1655]" 100.00 240 98.83 98.83 5.48e-122 GB AAG56931 "transcriptional regulator of ftsQAZ gene cluster [Escherichia coli O157:H7 str. EDL933]" 100.00 240 97.66 98.25 1.30e-120 GB ABV06323 "regulatory protein SdiA [Escherichia coli HS]" 100.00 240 97.08 97.08 3.33e-119 GB ACA77373 "transcriptional regulator, LuxR family [Escherichia coli ATCC 8739]" 100.00 240 97.08 97.08 3.33e-119 GB ACB03106 "DNA-binding transcriptional activator [Escherichia coli str. K-12 substr. DH10B]" 100.00 240 98.83 98.83 5.48e-122 REF NP_288377 "DNA-binding transcriptional activator SdiA [Escherichia coli O157:H7 str. EDL933]" 100.00 240 97.66 98.25 1.30e-120 REF NP_310681 "SdiA family transcriptional regulator [Escherichia coli O157:H7 str. Sakai]" 100.00 240 97.66 98.25 1.30e-120 REF NP_416426 "quorum-sensing transcriptional activator [Escherichia coli str. K-12 substr. MG1655]" 100.00 240 98.83 98.83 5.48e-122 REF WP_001152713 "transcriptional regulator [Escherichia coli]" 100.00 240 97.08 97.08 2.68e-119 REF WP_001152714 "DNA-binding transcriptional activator SdiA [Escherichia coli]" 100.00 240 97.66 97.66 5.81e-120 SP P07026 "RecName: Full=Regulatory protein SdiA [Escherichia coli K-12]" 100.00 240 98.83 98.83 5.48e-122 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sdia 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $sdia 'recombinant technology' . . . . . 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 $sdia 0.3 mM . 'NaAc/HAc buffer' 50 mM . D2O 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HCCH-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_13C-HSQC-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY _Sample_label $sample_1 save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-HSQC-NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pD 4.2 0.1 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.01 external direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.01 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.01 external indirect . . . 0.101329118 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name sdia _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER CA C 57.200 . 1 2 . 2 SER HA H 4.170 . 1 3 . 2 SER CB C 63.100 . 1 4 . 2 SER HB2 H 4.000 . 2 5 . 2 SER HB3 H 3.960 . 2 6 . 3 ASP N N 121.565 . 1 7 . 3 ASP H H 8.879 . 1 8 . 3 ASP CA C 54.800 . 1 9 . 3 ASP HA H 4.620 . 1 10 . 3 ASP CB C 40.300 . 1 11 . 3 ASP HB2 H 2.690 . 1 12 . 3 ASP HB3 H 2.690 . 1 13 . 4 LYS N N 120.681 . 1 14 . 4 LYS H H 8.432 . 1 15 . 4 LYS CA C 57.800 . 1 16 . 4 LYS HA H 4.190 . 1 17 . 4 LYS CB C 32.700 . 1 18 . 4 LYS HB2 H 1.840 . 2 19 . 4 LYS HB3 H 1.790 . 2 20 . 4 LYS CG C 24.800 . 1 21 . 4 LYS HG2 H 1.460 . 2 22 . 4 LYS HG3 H 1.420 . 2 23 . 4 LYS CD C 29.000 . 1 24 . 4 LYS HD2 H 1.640 . 1 25 . 4 LYS HD3 H 1.640 . 1 26 . 4 LYS CE C 41.900 . 1 27 . 4 LYS HE2 H 2.960 . 1 28 . 4 LYS HE3 H 2.960 . 1 29 . 5 ASP N N 119.079 . 1 30 . 5 ASP H H 8.026 . 1 31 . 5 ASP CA C 54.900 . 1 32 . 5 ASP HA H 4.580 . 1 33 . 5 ASP CB C 40.900 . 1 34 . 5 ASP HB2 H 2.820 . 2 35 . 5 ASP HB3 H 2.760 . 2 36 . 6 PHE N N 121.936 . 1 37 . 6 PHE H H 8.521 . 1 38 . 6 PHE CA C 61.700 . 1 39 . 6 PHE HA H 4.210 . 1 40 . 6 PHE CB C 38.900 . 1 41 . 6 PHE HB2 H 3.170 . 2 42 . 6 PHE HB3 H 2.760 . 2 43 . 6 PHE CD1 C 130.900 . 1 44 . 6 PHE HD1 H 6.760 . 1 45 . 6 PHE CE1 C 130.900 . 1 46 . 6 PHE HE1 H 7.140 . 1 47 . 6 PHE CE2 C 130.900 . 1 48 . 6 PHE HE2 H 7.140 . 1 49 . 6 PHE CD2 C 130.900 . 1 50 . 6 PHE HD2 H 6.760 . 1 51 . 7 PHE N N 117.542 . 1 52 . 7 PHE H H 8.248 . 1 53 . 7 PHE CA C 61.300 . 1 54 . 7 PHE HA H 4.010 . 1 55 . 7 PHE CB C 38.000 . 1 56 . 7 PHE HB2 H 3.210 . 1 57 . 7 PHE HB3 H 3.210 . 1 58 . 7 PHE CD1 C 130.900 . 1 59 . 7 PHE HD1 H 7.330 . 1 60 . 7 PHE CE1 C 130.900 . 1 61 . 7 PHE HE1 H 7.420 . 1 62 . 7 PHE CE2 C 130.900 . 1 63 . 7 PHE HE2 H 7.420 . 1 64 . 7 PHE CD2 C 130.900 . 1 65 . 7 PHE HD2 H 7.330 . 1 66 . 8 SER N N 116.190 . 1 67 . 8 SER H H 8.197 . 1 68 . 8 SER CA C 61.400 . 1 69 . 8 SER HA H 4.180 . 1 70 . 8 SER CB C 62.600 . 1 71 . 8 SER HB2 H 4.000 . 2 72 . 8 SER HB3 H 3.960 . 2 73 . 9 TRP N N 125.342 . 1 74 . 9 TRP H H 8.156 . 1 75 . 9 TRP CA C 62.300 . 1 76 . 9 TRP HA H 3.970 . 1 77 . 9 TRP CB C 28.600 . 1 78 . 9 TRP HB2 H 3.380 . 2 79 . 9 TRP HB3 H 3.300 . 2 80 . 9 TRP CD1 C 127.400 . 3 81 . 9 TRP HD1 H 7.410 . 1 82 . 9 TRP NE1 N 131.047 . 1 83 . 9 TRP HE1 H 10.242 . 2 84 . 9 TRP CZ2 C 114.300 . 3 85 . 9 TRP HZ2 H 7.440 . 3 86 . 10 ARG N N 118.597 . 1 87 . 10 ARG H H 8.948 . 1 88 . 10 ARG CA C 59.700 . 1 89 . 10 ARG HA H 3.240 . 1 90 . 10 ARG CB C 29.900 . 1 91 . 10 ARG HB2 H 1.650 . 2 92 . 10 ARG HB3 H 1.170 . 2 93 . 11 ARG N N 117.520 . 1 94 . 11 ARG H H 7.466 . 1 95 . 11 ARG CA C 59.700 . 1 96 . 11 ARG HA H 3.760 . 1 97 . 11 ARG CB C 29.900 . 1 98 . 11 ARG HB2 H 1.820 . 2 99 . 11 ARG HB3 H 1.770 . 2 100 . 11 ARG CG C 27.400 . 1 101 . 11 ARG HG2 H 1.630 . 2 102 . 11 ARG HG3 H 1.460 . 2 103 . 11 ARG HD2 H 3.100 . 1 104 . 11 ARG HD3 H 3.100 . 1 105 . 12 THR N N 114.840 . 1 106 . 12 THR H H 7.729 . 1 107 . 12 THR CA C 66.300 . 1 108 . 12 THR HA H 3.700 . 1 109 . 12 THR CB C 68.500 . 1 110 . 12 THR HB H 4.020 . 1 111 . 12 THR CG2 C 21.600 . 1 112 . 12 THR HG2 H 0.990 . 1 113 . 13 MET N N 120.319 . 1 114 . 13 MET H H 8.219 . 1 115 . 13 MET CA C 56.600 . 1 116 . 13 MET HA H 4.050 . 1 117 . 13 MET CB C 32.600 . 1 118 . 13 MET HB2 H 1.450 . 2 119 . 13 MET HB3 H 1.170 . 2 120 . 13 MET CG C 30.400 . 1 121 . 13 MET HG2 H 1.060 . 2 122 . 13 MET HG3 H 0.820 . 2 123 . 13 MET CE C 18.700 . 1 124 . 13 MET HE H 1.620 . 1 125 . 14 LEU N N 119.496 . 1 126 . 14 LEU H H 8.371 . 1 127 . 14 LEU CA C 58.800 . 1 128 . 14 LEU HA H 3.830 . 1 129 . 14 LEU CB C 41.200 . 1 130 . 14 LEU HB2 H 1.360 . 2 131 . 14 LEU HB3 H 1.700 . 2 132 . 14 LEU CG C 27.200 . 1 133 . 14 LEU HG H 1.730 . 1 134 . 14 LEU CD1 C 25.300 . 1 135 . 14 LEU HD1 H 0.710 . 2 136 . 14 LEU CD2 C 23.000 . 2 137 . 14 LEU HD2 H 0.660 . 2 138 . 15 LEU N N 117.581 . 1 139 . 15 LEU H H 7.063 . 1 140 . 15 LEU CA C 57.600 . 1 141 . 15 LEU HA H 3.970 . 1 142 . 15 LEU CB C 41.900 . 1 143 . 15 LEU HB2 H 1.680 . 2 144 . 15 LEU HB3 H 1.490 . 2 145 . 15 LEU CG C 27.000 . 1 146 . 15 LEU HG H 1.620 . 1 147 . 15 LEU CD1 C 23.500 . 1 148 . 15 LEU HD1 H 0.760 . 2 149 . 15 LEU CD2 C 24.900 . 2 150 . 15 LEU HD2 H 0.790 . 2 151 . 16 ARG N N 117.518 . 1 152 . 16 ARG H H 7.887 . 1 153 . 16 ARG CA C 59.700 . 1 154 . 16 ARG HA H 3.760 . 1 155 . 16 ARG CB C 30.000 . 1 156 . 16 ARG HB2 H 1.670 . 2 157 . 16 ARG HB3 H 1.410 . 2 158 . 16 ARG CG C 27.700 . 1 159 . 16 ARG HG2 H 1.520 . 2 160 . 16 ARG HG3 H 1.310 . 2 161 . 16 ARG CD C 42.900 . 1 162 . 16 ARG HD2 H 2.860 . 2 163 . 16 ARG HD3 H 2.740 . 2 164 . 17 PHE N N 116.527 . 1 165 . 17 PHE H H 8.480 . 1 166 . 17 PHE CA C 61.500 . 1 167 . 17 PHE HA H 4.340 . 1 168 . 17 PHE CB C 39.000 . 1 169 . 17 PHE HB2 H 3.200 . 2 170 . 17 PHE HB3 H 2.900 . 2 171 . 17 PHE CD1 C 131.800 . 1 172 . 17 PHE HD1 H 7.320 . 1 173 . 17 PHE CE1 C 129.700 . 1 174 . 17 PHE HE1 H 7.020 . 1 175 . 17 PHE CZ C 127.700 . 1 176 . 17 PHE HZ H 6.760 . 1 177 . 17 PHE CE2 C 129.700 . 1 178 . 17 PHE HE2 H 7.020 . 1 179 . 17 PHE CD2 C 131.800 . 1 180 . 17 PHE HD2 H 7.320 . 1 181 . 18 GLN N N 116.483 . 1 182 . 18 GLN H H 7.562 . 1 183 . 18 GLN CA C 58.300 . 1 184 . 18 GLN HA H 4.080 . 1 185 . 18 GLN CB C 28.600 . 1 186 . 18 GLN HB2 H 2.160 . 2 187 . 18 GLN HB3 H 2.090 . 2 188 . 18 GLN CG C 33.900 . 1 189 . 18 GLN HG2 H 2.470 . 2 190 . 18 GLN HG3 H 2.400 . 2 191 . 19 ARG N N 113.576 . 1 192 . 19 ARG H H 7.018 . 1 193 . 19 ARG CA C 55.300 . 1 194 . 19 ARG HA H 4.310 . 1 195 . 19 ARG CB C 31.000 . 1 196 . 19 ARG HB2 H 1.920 . 2 197 . 19 ARG HB3 H 1.690 . 2 198 . 19 ARG CD C 43.500 . 1 199 . 19 ARG HD2 H 3.050 . 1 200 . 19 ARG HD3 H 3.050 . 1 201 . 20 MET N N 119.470 . 1 202 . 20 MET H H 7.005 . 1 203 . 20 MET CA C 58.100 . 1 204 . 20 MET HA H 4.100 . 1 205 . 20 MET CB C 32.700 . 1 206 . 20 MET HB2 H 1.730 . 2 207 . 20 MET HB3 H 1.660 . 2 208 . 20 MET CG C 33.200 . 1 209 . 20 MET HG2 H 2.920 . 2 210 . 20 MET HG3 H 2.280 . 2 211 . 20 MET CE C 17.000 . 1 212 . 20 MET HE H 0.870 . 1 213 . 21 GLU N N 118.484 . 1 214 . 21 GLU H H 8.768 . 1 215 . 21 GLU CA C 55.500 . 1 216 . 21 GLU HA H 4.600 . 1 217 . 21 GLU CB C 31.300 . 1 218 . 21 GLU HB2 H 2.300 . 2 219 . 21 GLU HB3 H 1.890 . 2 220 . 21 GLU CG C 33.200 . 1 221 . 21 GLU HG2 H 2.530 . 2 222 . 21 GLU HG3 H 2.390 . 2 223 . 22 THR N N 108.659 . 1 224 . 22 THR H H 7.358 . 1 225 . 22 THR CA C 59.000 . 1 226 . 22 THR HA H 4.650 . 1 227 . 22 THR CB C 72.600 . 1 228 . 22 THR HB H 4.450 . 1 229 . 22 THR CG2 C 21.900 . 1 230 . 22 THR HG2 H 1.120 . 1 231 . 23 ALA N N 124.126 . 1 232 . 23 ALA H H 8.851 . 1 233 . 23 ALA CA C 55.100 . 1 234 . 23 ALA HA H 3.540 . 1 235 . 23 ALA CB C 17.500 . 1 236 . 23 ALA HB H 1.250 . 1 237 . 24 GLU N N 114.593 . 1 238 . 24 GLU H H 8.261 . 1 239 . 24 GLU CA C 58.800 . 1 240 . 24 GLU HA H 3.120 . 1 241 . 24 GLU CB C 27.900 . 1 242 . 24 GLU HB2 H 1.900 . 2 243 . 24 GLU HB3 H 1.750 . 2 244 . 24 GLU CG C 34.500 . 1 245 . 24 GLU HG2 H 2.300 . 1 246 . 24 GLU HG3 H 2.300 . 1 247 . 25 GLU N N 117.061 . 1 248 . 25 GLU H H 7.336 . 1 249 . 25 GLU CA C 59.200 . 1 250 . 25 GLU HA H 3.750 . 1 251 . 25 GLU CB C 29.300 . 1 252 . 25 GLU HB2 H 1.950 . 1 253 . 25 GLU HB3 H 1.950 . 1 254 . 25 GLU CG C 35.900 . 1 255 . 25 GLU HG2 H 2.290 . 1 256 . 25 GLU HG3 H 2.290 . 1 257 . 26 VAL N N 119.938 . 1 258 . 26 VAL H H 7.044 . 1 259 . 26 VAL CA C 65.900 . 1 260 . 26 VAL HA H 3.550 . 1 261 . 26 VAL CB C 31.600 . 1 262 . 26 VAL HB H 2.250 . 1 263 . 26 VAL CG2 C 22.600 . 1 264 . 26 VAL HG2 H 0.940 . 2 265 . 26 VAL CG1 C 21.600 . 2 266 . 26 VAL HG1 H 0.890 . 2 267 . 27 TYR N N 116.120 . 1 268 . 27 TYR H H 7.623 . 1 269 . 27 TYR CA C 59.400 . 1 270 . 27 TYR HA H 4.150 . 1 271 . 27 TYR CB C 36.400 . 1 272 . 27 TYR HB2 H 3.360 . 2 273 . 27 TYR HB3 H 2.880 . 2 274 . 27 TYR CD1 C 133.200 . 1 275 . 27 TYR HD1 H 6.670 . 1 276 . 27 TYR CE1 C 117.300 . 1 277 . 27 TYR HE1 H 6.500 . 1 278 . 27 TYR CE2 C 117.300 . 1 279 . 27 TYR HE2 H 6.500 . 1 280 . 27 TYR CD2 C 133.200 . 1 281 . 27 TYR HD2 H 6.670 . 1 282 . 28 HIS N N 117.428 . 1 283 . 28 HIS H H 8.300 . 1 284 . 28 HIS CA C 58.500 . 1 285 . 28 HIS HA H 4.460 . 1 286 . 28 HIS CB C 28.100 . 1 287 . 28 HIS HB2 H 3.260 . 2 288 . 28 HIS HB3 H 3.080 . 2 289 . 28 HIS CD2 C 119.400 . 1 290 . 28 HIS HD2 H 7.360 . 3 291 . 28 HIS CE1 C 135.300 . 1 292 . 28 HIS HE1 H 8.650 . 1 293 . 29 GLU N N 120.027 . 1 294 . 29 GLU H H 7.600 . 1 295 . 29 GLU CA C 58.700 . 1 296 . 29 GLU HA H 3.870 . 1 297 . 30 ILE N N 118.118 . 1 298 . 30 ILE H H 7.832 . 1 299 . 30 ILE CA C 65.400 . 1 300 . 30 ILE HA H 3.410 . 1 301 . 30 ILE CB C 36.400 . 1 302 . 30 ILE HB H 1.550 . 1 303 . 30 ILE CG1 C 28.300 . 1 304 . 30 ILE HG12 H 1.800 . 1 305 . 30 ILE HG13 H 1.120 . 1 306 . 30 ILE CD1 C 13.300 . 1 307 . 30 ILE HD1 H 0.850 . 1 308 . 30 ILE CG2 C 20.700 . 1 309 . 30 ILE HG2 H 0.660 . 1 310 . 31 GLU CA C 59.900 . 1 311 . 31 GLU HA H 3.550 . 1 312 . 31 GLU CB C 29.000 . 1 313 . 31 GLU HB2 H 2.260 . 1 314 . 31 GLU HB3 H 2.260 . 1 315 . 31 GLU CG C 34.600 . 1 316 . 31 GLU HG2 H 2.450 . 2 317 . 31 GLU HG3 H 2.320 . 2 318 . 32 LEU N N 118.816 . 1 319 . 32 LEU H H 7.774 . 1 320 . 32 LEU CA C 57.800 . 1 321 . 32 LEU HA H 4.020 . 1 322 . 32 LEU CB C 41.900 . 1 323 . 32 LEU HB2 H 1.680 . 2 324 . 32 LEU HB3 H 1.490 . 2 325 . 32 LEU CG C 26.700 . 1 326 . 32 LEU HG H 1.400 . 1 327 . 32 LEU CD1 C 24.000 . 1 328 . 32 LEU HD1 H 0.760 . 2 329 . 32 LEU CD2 C 24.900 . 2 330 . 32 LEU HD2 H 0.720 . 2 331 . 33 GLN N N 117.976 . 1 332 . 33 GLN H H 8.456 . 1 333 . 33 GLN CA C 58.100 . 1 334 . 33 GLN HA H 3.910 . 1 335 . 33 GLN HB2 H 2.170 . 1 336 . 33 GLN HB3 H 2.170 . 1 337 . 33 GLN HG2 H 2.400 . 2 338 . 33 GLN HG3 H 2.450 . 2 339 . 34 ALA N N 122.442 . 1 340 . 34 ALA H H 8.550 . 1 341 . 34 ALA CA C 56.000 . 1 342 . 34 ALA HA H 2.970 . 1 343 . 34 ALA CB C 16.800 . 1 344 . 34 ALA HB H 0.830 . 1 345 . 35 GLN N N 116.971 . 1 346 . 35 GLN H H 7.843 . 1 347 . 35 GLN CA C 58.900 . 1 348 . 35 GLN HA H 4.210 . 1 349 . 35 GLN CB C 28.100 . 1 350 . 35 GLN HB2 H 2.260 . 2 351 . 35 GLN HB3 H 2.050 . 2 352 . 35 GLN CG C 34.000 . 1 353 . 35 GLN HG2 H 2.570 . 2 354 . 35 GLN HG3 H 2.410 . 2 355 . 36 GLN N N 120.725 . 1 356 . 36 GLN H H 8.273 . 1 357 . 36 GLN CA C 58.800 . 1 358 . 36 GLN HA H 4.020 . 1 359 . 36 GLN CB C 28.500 . 1 360 . 36 GLN HB2 H 2.180 . 1 361 . 36 GLN HB3 H 2.180 . 1 362 . 36 GLN CG C 34.800 . 1 363 . 36 GLN HG2 H 2.550 . 2 364 . 36 GLN HG3 H 2.440 . 2 365 . 37 LEU N N 119.362 . 1 366 . 37 LEU H H 7.286 . 1 367 . 37 LEU CA C 54.600 . 1 368 . 37 LEU HA H 4.300 . 1 369 . 37 LEU CB C 41.900 . 1 370 . 37 LEU HB2 H 1.830 . 1 371 . 37 LEU HB3 H 1.830 . 1 372 . 37 LEU CG C 27.000 . 1 373 . 37 LEU HG H 1.640 . 1 374 . 37 LEU CD1 C 23.300 . 1 375 . 37 LEU HD1 H 0.780 . 1 376 . 37 LEU HD2 H 0.780 . 1 377 . 38 GLU N N 110.334 . 1 378 . 38 GLU H H 7.791 . 1 379 . 38 GLU CA C 56.900 . 1 380 . 38 GLU HA H 3.740 . 1 381 . 38 GLU CB C 24.600 . 1 382 . 38 GLU HB2 H 2.120 . 2 383 . 38 GLU HB3 H 1.980 . 2 384 . 39 TYR N N 118.607 . 1 385 . 39 TYR H H 8.380 . 1 386 . 39 TYR CA C 58.900 . 1 387 . 39 TYR HA H 4.300 . 1 388 . 39 TYR CB C 38.900 . 1 389 . 39 TYR HB2 H 3.020 . 1 390 . 39 TYR HB3 H 3.020 . 1 391 . 39 TYR CD1 C 132.700 . 1 392 . 39 TYR HD1 H 6.640 . 1 393 . 39 TYR CE1 C 117.100 . 1 394 . 39 TYR HE1 H 6.510 . 1 395 . 39 TYR CE2 C 117.100 . 1 396 . 39 TYR HE2 H 6.510 . 1 397 . 39 TYR CD2 C 132.700 . 1 398 . 39 TYR HD2 H 6.640 . 1 399 . 40 ASP N N 118.410 . 1 400 . 40 ASP H H 7.625 . 1 401 . 40 ASP CA C 56.500 . 1 402 . 40 ASP HA H 4.330 . 1 403 . 40 ASP CB C 43.700 . 1 404 . 40 ASP HB2 H 1.850 . 2 405 . 40 ASP HB3 H 1.790 . 2 406 . 41 TYR N N 114.403 . 1 407 . 41 TYR H H 8.370 . 1 408 . 41 TYR CA C 54.500 . 1 409 . 41 TYR HA H 5.810 . 1 410 . 41 TYR CB C 42.600 . 1 411 . 41 TYR HB2 H 3.100 . 2 412 . 41 TYR HB3 H 3.050 . 2 413 . 41 TYR CD1 C 133.000 . 1 414 . 41 TYR HD1 H 7.020 . 1 415 . 41 TYR CE1 C 117.700 . 1 416 . 41 TYR HE1 H 6.740 . 1 417 . 41 TYR CE2 C 117.700 . 1 418 . 41 TYR HE2 H 6.740 . 1 419 . 41 TYR CD2 C 133.000 . 1 420 . 41 TYR HD2 H 7.020 . 1 421 . 42 TYR N N 115.336 . 1 422 . 42 TYR H H 8.927 . 1 423 . 42 TYR CA C 55.000 . 1 424 . 42 TYR HA H 6.260 . 1 425 . 42 TYR CB C 44.600 . 1 426 . 42 TYR HB2 H 3.130 . 2 427 . 42 TYR HB3 H 2.730 . 2 428 . 43 SER N N 113.408 . 1 429 . 43 SER H H 9.372 . 1 430 . 43 SER CA C 56.900 . 1 431 . 43 SER HA H 4.630 . 1 432 . 43 SER CB C 66.600 . 1 433 . 43 SER HB2 H 3.680 . 2 434 . 43 SER HB3 H 3.530 . 2 435 . 44 LEU N N 125.535 . 1 436 . 44 LEU H H 9.808 . 1 437 . 44 LEU CA C 53.900 . 1 438 . 44 LEU HA H 5.700 . 1 439 . 44 LEU CB C 45.600 . 1 440 . 44 LEU HB2 H 2.280 . 2 441 . 44 LEU HB3 H 1.530 . 2 442 . 44 LEU CG C 28.300 . 1 443 . 44 LEU HG H 1.590 . 1 444 . 44 LEU CD1 C 23.300 . 1 445 . 44 LEU HD1 H 0.950 . 2 446 . 44 LEU CD2 C 24.300 . 2 447 . 44 LEU HD2 H 0.880 . 2 448 . 45 CYS N N 126.636 . 1 449 . 45 CYS H H 9.160 . 1 450 . 45 CYS CA C 56.600 . 1 451 . 45 CYS HA H 5.560 . 1 452 . 45 CYS CB C 29.900 . 1 453 . 45 CYS HB2 H 2.770 . 1 454 . 45 CYS HB3 H 2.770 . 1 455 . 46 VAL N N 127.440 . 1 456 . 46 VAL H H 9.309 . 1 457 . 46 VAL CA C 60.400 . 1 458 . 46 VAL HA H 5.410 . 1 459 . 46 VAL CB C 35.300 . 1 460 . 46 VAL HB H 2.060 . 1 461 . 46 VAL CG2 C 21.200 . 1 462 . 46 VAL HG2 H 0.940 . 2 463 . 46 VAL CG1 C 21.200 . 1 464 . 46 VAL HG1 H 0.820 . 2 465 . 47 ARG N N 125.679 . 1 466 . 47 ARG H H 9.358 . 1 467 . 47 ARG CA C 54.400 . 1 468 . 47 ARG HA H 5.350 . 1 469 . 47 ARG CB C 34.300 . 1 470 . 47 ARG HB2 H 1.950 . 2 471 . 47 ARG HB3 H 1.800 . 2 472 . 47 ARG CG C 27.300 . 1 473 . 47 ARG HG2 H 1.640 . 2 474 . 47 ARG HG3 H 1.550 . 2 475 . 47 ARG CD C 44.200 . 1 476 . 47 ARG HD2 H 3.220 . 2 477 . 47 ARG HD3 H 3.180 . 2 478 . 48 HIS N N 122.220 . 1 479 . 48 HIS H H 9.125 . 1 480 . 48 HIS CA C 52.500 . 1 481 . 48 HIS HA H 5.180 . 1 482 . 48 HIS CB C 30.000 . 1 483 . 48 HIS HB2 H 3.190 . 1 484 . 48 HIS HB3 H 3.190 . 1 485 . 48 HIS CD2 C 119.800 . 1 486 . 48 HIS HD2 H 7.170 . 3 487 . 48 HIS CE1 C 135.700 . 1 488 . 48 HIS HE1 H 8.630 . 1 489 . 49 PRO CA C 63.100 . 1 490 . 49 PRO HA H 4.410 . 1 491 . 49 PRO CB C 32.300 . 1 492 . 49 PRO HB2 H 2.180 . 2 493 . 49 PRO HB3 H 1.870 . 2 494 . 49 PRO CD C 51.100 . 1 495 . 49 PRO HD2 H 3.700 . 1 496 . 49 PRO HD3 H 3.700 . 1 497 . 50 VAL N N 123.064 . 1 498 . 50 VAL H H 8.452 . 1 499 . 50 VAL CA C 59.700 . 1 500 . 50 VAL HA H 4.410 . 1 501 . 50 VAL CB C 34.600 . 1 502 . 50 VAL HB H 1.920 . 1 503 . 50 VAL CG2 C 21.600 . 1 504 . 50 VAL HG2 H 0.840 . 2 505 . 50 VAL CG1 C 21.200 . 2 506 . 50 VAL HG1 H 0.820 . 2 507 . 51 PRO CA C 64.300 . 1 508 . 51 PRO HA H 3.970 . 1 509 . 51 PRO CB C 32.000 . 1 510 . 51 PRO HB2 H 1.810 . 2 511 . 51 PRO HB3 H 1.560 . 2 512 . 51 PRO CG C 27.700 . 1 513 . 51 PRO HG2 H 1.930 . 2 514 . 51 PRO HG3 H 1.770 . 2 515 . 51 PRO CD C 51.100 . 1 516 . 51 PRO HD2 H 3.700 . 2 517 . 51 PRO HD3 H 3.520 . 2 518 . 52 PHE N N 115.361 . 1 519 . 52 PHE H H 8.296 . 1 520 . 52 PHE CA C 59.000 . 1 521 . 52 PHE HA H 4.270 . 1 522 . 52 PHE CB C 37.300 . 1 523 . 52 PHE HB2 H 3.340 . 2 524 . 52 PHE HB3 H 3.200 . 2 525 . 52 PHE CD1 C 131.400 . 1 526 . 52 PHE HD1 H 7.160 . 1 527 . 52 PHE CD2 C 131.400 . 1 528 . 52 PHE HD2 H 7.160 . 1 529 . 53 THR N N 113.555 . 1 530 . 53 THR H H 7.749 . 1 531 . 53 THR CA C 60.400 . 1 532 . 53 THR HA H 4.610 . 1 533 . 53 THR CB C 70.300 . 1 534 . 53 THR HB H 4.140 . 4 535 . 53 THR CG2 C 20.000 . 1 536 . 53 THR HG2 H 1.170 . 1 537 . 54 ARG N N 122.513 . 1 538 . 54 ARG H H 8.141 . 1 539 . 54 ARG CA C 54.300 . 1 540 . 54 ARG HA H 4.530 . 1 541 . 54 ARG CB C 29.400 . 1 542 . 54 ARG HB2 H 1.850 . 2 543 . 54 ARG HB3 H 1.720 . 2 544 . 55 PRO CA C 63.300 . 1 545 . 55 PRO HA H 4.450 . 1 546 . 55 PRO CB C 32.700 . 1 547 . 55 PRO HB2 H 2.060 . 2 548 . 55 PRO HB3 H 1.620 . 2 549 . 55 PRO HG2 H 1.940 . 1 550 . 55 PRO HG3 H 1.940 . 1 551 . 55 PRO CD C 50.500 . 1 552 . 55 PRO HD2 H 3.770 . 2 553 . 55 PRO HD3 H 3.560 . 2 554 . 56 LYS N N 122.116 . 1 555 . 56 LYS H H 8.217 . 1 556 . 56 LYS CA C 55.800 . 1 557 . 56 LYS HA H 4.430 . 1 558 . 56 LYS CB C 33.900 . 1 559 . 56 LYS HB2 H 1.640 . 2 560 . 56 LYS HB3 H 1.600 . 2 561 . 56 LYS CG C 25.300 . 1 562 . 56 LYS HG2 H 1.390 . 2 563 . 56 LYS HG3 H 1.340 . 2 564 . 57 VAL N N 123.984 . 1 565 . 57 VAL H H 8.503 . 1 566 . 57 VAL CA C 61.100 . 1 567 . 57 VAL HA H 4.950 . 1 568 . 57 VAL CB C 34.300 . 1 569 . 57 VAL HB H 1.890 . 1 570 . 57 VAL CG2 C 21.900 . 1 571 . 57 VAL HG2 H 0.850 . 2 572 . 57 VAL CG1 C 21.900 . 1 573 . 57 VAL HG1 H 0.780 . 2 574 . 58 ALA N N 129.361 . 1 575 . 58 ALA H H 8.816 . 1 576 . 58 ALA CA C 50.700 . 1 577 . 58 ALA HA H 4.570 . 1 578 . 58 ALA CB C 22.800 . 1 579 . 58 ALA HB H 1.310 . 1 580 . 59 PHE N N 115.283 . 1 581 . 59 PHE H H 7.843 . 1 582 . 59 PHE CA C 55.500 . 1 583 . 59 PHE HA H 5.710 . 1 584 . 59 PHE CB C 43.100 . 1 585 . 59 PHE HB2 H 2.790 . 2 586 . 59 PHE HB3 H 2.730 . 2 587 . 59 PHE CD1 C 131.100 . 1 588 . 59 PHE HD1 H 6.750 . 1 589 . 59 PHE CE1 C 130.700 . 1 590 . 59 PHE HE1 H 7.130 . 1 591 . 59 PHE CE2 C 130.700 . 1 592 . 59 PHE HE2 H 7.130 . 1 593 . 59 PHE CD2 C 131.100 . 1 594 . 59 PHE HD2 H 6.750 . 1 595 . 60 TYR N N 119.703 . 1 596 . 60 TYR H H 8.792 . 1 597 . 60 TYR CA C 56.600 . 1 598 . 60 TYR HA H 4.560 . 1 599 . 60 TYR CB C 41.500 . 1 600 . 60 TYR HB2 H 2.750 . 2 601 . 60 TYR HB3 H 2.620 . 2 602 . 60 TYR CD1 C 133.200 . 3 603 . 60 TYR HD1 H 6.840 . 1 604 . 60 TYR CE1 C 117.100 . 1 605 . 60 TYR HE1 H 6.640 . 1 606 . 60 TYR CE2 C 117.100 . 1 607 . 60 TYR HE2 H 6.640 . 1 608 . 60 TYR CD2 C 133.700 . 3 609 . 60 TYR HD2 H 6.840 . 1 610 . 61 THR N N 118.311 . 1 611 . 61 THR H H 8.610 . 1 612 . 61 THR CA C 60.100 . 1 613 . 61 THR HA H 3.940 . 1 614 . 61 THR CB C 68.700 . 1 615 . 61 THR HB H 3.760 . 1 616 . 61 THR CG2 C 18.900 . 1 617 . 61 THR HG2 H 0.970 . 1 618 . 62 ASN N N 122.323 . 1 619 . 62 ASN H H 6.888 . 1 620 . 62 ASN CA C 52.300 . 1 621 . 62 ASN HA H 4.930 . 1 622 . 62 ASN CB C 38.000 . 1 623 . 62 ASN HB2 H 3.430 . 2 624 . 62 ASN HB3 H 2.820 . 2 625 . 63 TYR N N 119.233 . 1 626 . 63 TYR H H 8.636 . 1 627 . 63 TYR CA C 54.100 . 1 628 . 63 TYR HA H 4.200 . 1 629 . 63 TYR CB C 37.300 . 1 630 . 63 TYR HB2 H 2.850 . 2 631 . 63 TYR HB3 H 2.510 . 2 632 . 63 TYR CD1 C 130.900 . 1 633 . 63 TYR HD1 H 6.480 . 1 634 . 63 TYR CE1 C 117.800 . 1 635 . 63 TYR HE1 H 6.710 . 1 636 . 63 TYR CE2 C 117.800 . 1 637 . 63 TYR HE2 H 6.710 . 1 638 . 63 TYR CD2 C 130.900 . 1 639 . 63 TYR HD2 H 6.480 . 1 640 . 64 PRO CA C 62.800 . 1 641 . 64 PRO HA H 4.470 . 1 642 . 64 PRO CB C 32.400 . 1 643 . 64 PRO HB2 H 2.590 . 2 644 . 64 PRO HB3 H 1.940 . 2 645 . 64 PRO CG C 28.600 . 1 646 . 64 PRO HG2 H 2.170 . 2 647 . 64 PRO HG3 H 2.110 . 2 648 . 64 PRO CD C 49.800 . 1 649 . 64 PRO HD2 H 3.220 . 2 650 . 64 PRO HD3 H 2.920 . 2 651 . 65 GLU N N 126.616 . 1 652 . 65 GLU H H 9.107 . 1 653 . 65 GLU CA C 59.400 . 1 654 . 65 GLU HA H 3.940 . 1 655 . 65 GLU CB C 27.800 . 1 656 . 65 GLU HB2 H 2.200 . 2 657 . 65 GLU HB3 H 2.040 . 2 658 . 65 GLU CG C 33.600 . 1 659 . 65 GLU HG2 H 2.510 . 1 660 . 65 GLU HG3 H 2.510 . 1 661 . 66 ALA N N 118.657 . 1 662 . 66 ALA H H 9.034 . 1 663 . 66 ALA CA C 55.100 . 1 664 . 66 ALA HA H 4.150 . 1 665 . 66 ALA CB C 18.900 . 1 666 . 66 ALA HB H 1.560 . 1 667 . 67 TRP N N 115.634 . 1 668 . 67 TRP H H 7.534 . 1 669 . 67 TRP CA C 57.400 . 1 670 . 67 TRP HA H 4.530 . 1 671 . 67 TRP CB C 30.900 . 1 672 . 67 TRP HB2 H 3.040 . 2 673 . 67 TRP HB3 H 2.810 . 2 674 . 67 TRP CD1 C 125.600 . 3 675 . 67 TRP HD1 H 5.830 . 1 676 . 67 TRP NE1 N 126.450 . 1 677 . 67 TRP HE1 H 8.850 . 2 678 . 67 TRP CZ2 C 115.000 . 3 679 . 67 TRP HZ2 H 7.530 . 3 680 . 67 TRP CH2 C 122.100 . 1 681 . 67 TRP HH2 H 7.190 . 1 682 . 67 TRP CE3 C 119.800 . 3 683 . 67 TRP HE3 H 6.480 . 3 684 . 68 VAL N N 118.311 . 1 685 . 68 VAL H H 7.570 . 1 686 . 68 VAL CA C 66.800 . 1 687 . 68 VAL HA H 2.880 . 1 688 . 68 VAL CB C 31.900 . 1 689 . 68 VAL HB H 1.980 . 1 690 . 68 VAL CG2 C 23.500 . 1 691 . 68 VAL HG2 H 0.860 . 2 692 . 68 VAL CG1 C 21.000 . 2 693 . 68 VAL HG1 H 0.800 . 2 694 . 69 SER N N 110.932 . 1 695 . 69 SER H H 8.364 . 1 696 . 69 SER CA C 61.300 . 1 697 . 69 SER HA H 4.030 . 1 698 . 69 SER CB C 62.700 . 1 699 . 69 SER HB2 H 3.810 . 1 700 . 69 SER HB3 H 3.810 . 1 701 . 70 TYR N N 125.293 . 1 702 . 70 TYR H H 7.240 . 1 703 . 70 TYR CA C 61.700 . 1 704 . 70 TYR HA H 3.780 . 1 705 . 70 TYR CB C 39.000 . 1 706 . 70 TYR HB2 H 3.090 . 2 707 . 70 TYR HB3 H 2.720 . 2 708 . 70 TYR CD1 C 132.500 . 1 709 . 70 TYR HD1 H 6.900 . 3 710 . 70 TYR CE1 C 117.800 . 1 711 . 70 TYR HE1 H 6.830 . 1 712 . 70 TYR CE2 C 117.800 . 1 713 . 70 TYR HE2 H 6.830 . 1 714 . 70 TYR CD2 C 132.500 . 1 715 . 70 TYR HD2 H 6.880 . 3 716 . 71 TYR N N 119.205 . 1 717 . 71 TYR H H 8.377 . 1 718 . 71 TYR CA C 60.100 . 1 719 . 71 TYR HA H 3.250 . 1 720 . 71 TYR CB C 38.100 . 1 721 . 71 TYR HB2 H 2.390 . 2 722 . 71 TYR HB3 H 1.140 . 2 723 . 71 TYR CD1 C 132.500 . 1 724 . 71 TYR HD1 H 6.430 . 1 725 . 71 TYR CE1 C 117.800 . 1 726 . 71 TYR HE1 H 6.260 . 1 727 . 71 TYR CE2 C 117.800 . 1 728 . 71 TYR HE2 H 6.260 . 1 729 . 71 TYR CD2 C 132.500 . 1 730 . 71 TYR HD2 H 6.430 . 1 731 . 72 GLN N N 115.283 . 1 732 . 72 GLN H H 7.824 . 1 733 . 72 GLN CA C 59.200 . 1 734 . 72 GLN HA H 4.040 . 1 735 . 72 GLN CB C 29.700 . 1 736 . 72 GLN HB2 H 2.050 . 2 737 . 72 GLN HB3 H 1.970 . 2 738 . 72 GLN CG C 35.000 . 1 739 . 72 GLN HG2 H 2.500 . 2 740 . 72 GLN HG3 H 2.130 . 2 741 . 73 ALA N N 123.464 . 1 742 . 73 ALA H H 7.943 . 1 743 . 73 ALA CA C 54.800 . 1 744 . 73 ALA HA H 3.840 . 1 745 . 73 ALA CB C 18.000 . 1 746 . 73 ALA HB H 1.180 . 1 747 . 74 LYS N N 113.222 . 1 748 . 74 LYS H H 7.124 . 1 749 . 74 LYS CA C 53.400 . 1 750 . 74 LYS HA H 3.650 . 1 751 . 74 LYS CB C 29.400 . 1 752 . 74 LYS HB2 H 0.600 . 2 753 . 74 LYS HB3 H -0.300 . 2 754 . 74 LYS CG C 24.200 . 1 755 . 74 LYS HG2 H 0.340 . 1 756 . 74 LYS HG3 H 0.340 . 1 757 . 74 LYS CD C 27.200 . 1 758 . 74 LYS HD2 H 0.930 . 1 759 . 74 LYS HD3 H 0.930 . 1 760 . 74 LYS CE C 41.900 . 1 761 . 74 LYS HE2 H 2.520 . 2 762 . 74 LYS HE3 H 2.270 . 2 763 . 75 ASN N N 115.015 . 1 764 . 75 ASN H H 7.415 . 1 765 . 75 ASN CA C 53.700 . 1 766 . 75 ASN HA H 4.490 . 1 767 . 75 ASN CB C 36.900 . 1 768 . 75 ASN HB2 H 3.030 . 2 769 . 75 ASN HB3 H 2.390 . 2 770 . 76 PHE N N 114.741 . 1 771 . 76 PHE H H 6.993 . 1 772 . 76 PHE CA C 55.800 . 1 773 . 76 PHE HA H 4.360 . 1 774 . 76 PHE CB C 35.400 . 1 775 . 76 PHE HB2 H 2.310 . 1 776 . 76 PHE HB3 H 2.310 . 1 777 . 76 PHE CD1 C 130.000 . 1 778 . 76 PHE HD1 H 6.760 . 1 779 . 76 PHE CE1 C 130.600 . 1 780 . 76 PHE HE1 H 7.250 . 1 781 . 76 PHE CE2 C 130.600 . 1 782 . 76 PHE HE2 H 7.250 . 1 783 . 76 PHE CD2 C 130.000 . 1 784 . 76 PHE HD2 H 6.760 . 1 785 . 77 LEU N N 122.575 . 1 786 . 77 LEU H H 8.401 . 1 787 . 77 LEU CA C 57.800 . 1 788 . 77 LEU HA H 4.340 . 1 789 . 77 LEU CB C 43.100 . 1 790 . 77 LEU HB2 H 1.730 . 2 791 . 77 LEU HB3 H 1.500 . 2 792 . 77 LEU CG C 27.200 . 1 793 . 77 LEU HG H 1.740 . 1 794 . 77 LEU CD1 C 25.600 . 1 795 . 77 LEU HD1 H 0.920 . 2 796 . 77 LEU CD2 C 25.600 . 1 797 . 77 LEU HD2 H 0.880 . 2 798 . 78 ALA N N 114.174 . 1 799 . 78 ALA H H 6.932 . 1 800 . 78 ALA CA C 53.900 . 1 801 . 78 ALA HA H 3.980 . 1 802 . 78 ALA CB C 19.800 . 1 803 . 78 ALA HB H 1.390 . 1 804 . 79 ILE N N 106.531 . 1 805 . 79 ILE H H 7.168 . 1 806 . 79 ILE CA C 59.400 . 1 807 . 79 ILE HA H 4.480 . 1 808 . 79 ILE CB C 40.800 . 1 809 . 79 ILE HB H 2.150 . 1 810 . 79 ILE CG1 C 26.700 . 1 811 . 79 ILE HG12 H 1.190 . 1 812 . 79 ILE HG13 H 1.190 . 1 813 . 79 ILE CD1 C 15.000 . 1 814 . 79 ILE HD1 H 0.870 . 1 815 . 79 ILE CG2 C 18.700 . 1 816 . 79 ILE HG2 H 0.840 . 1 817 . 80 ASP N N 123.196 . 1 818 . 80 ASP H H 7.087 . 1 819 . 80 ASP CA C 52.500 . 1 820 . 80 ASP HA H 4.030 . 1 821 . 80 ASP CB C 41.200 . 1 822 . 80 ASP HB2 H 2.650 . 2 823 . 80 ASP HB3 H 2.540 . 2 824 . 81 PRO CA C 63.800 . 1 825 . 81 PRO HA H 4.110 . 1 826 . 81 PRO CB C 32.500 . 1 827 . 81 PRO HB2 H 1.950 . 2 828 . 81 PRO HB3 H 1.200 . 2 829 . 81 PRO CD C 50.700 . 1 830 . 81 PRO HD2 H 3.840 . 1 831 . 81 PRO HD3 H 3.840 . 1 832 . 82 VAL N N 113.392 . 1 833 . 82 VAL H H 7.878 . 1 834 . 82 VAL CA C 61.800 . 1 835 . 82 VAL HA H 3.960 . 1 836 . 82 VAL CB C 29.500 . 1 837 . 82 VAL HB H 2.520 . 1 838 . 82 VAL CG2 C 18.700 . 1 839 . 82 VAL HG2 H 0.660 . 2 840 . 82 VAL CG1 C 21.000 . 2 841 . 82 VAL HG1 H 0.240 . 2 842 . 83 LEU N N 112.255 . 1 843 . 83 LEU H H 6.407 . 1 844 . 83 LEU CA C 51.800 . 1 845 . 83 LEU HA H 3.170 . 1 846 . 83 LEU CB C 41.500 . 1 847 . 83 LEU HB2 H 1.350 . 2 848 . 83 LEU HB3 H 0.900 . 2 849 . 83 LEU CG C 27.000 . 1 850 . 83 LEU HG H 0.880 . 1 851 . 83 LEU CD1 C 23.300 . 1 852 . 83 LEU HD1 H 0.180 . 1 853 . 83 LEU CD2 C 23.300 . 1 854 . 83 LEU HD2 H 0.180 . 1 855 . 84 ASN N N 116.589 . 1 856 . 84 ASN H H 6.800 . 1 857 . 84 ASN CA C 48.800 . 1 858 . 84 ASN HA H 5.130 . 1 859 . 84 ASN CB C 39.600 . 1 860 . 84 ASN HB2 H 3.110 . 2 861 . 84 ASN HB3 H 2.480 . 2 862 . 85 PRO CA C 64.800 . 1 863 . 85 PRO HA H 3.540 . 1 864 . 85 PRO CB C 32.900 . 1 865 . 85 PRO HB2 H 1.760 . 1 866 . 85 PRO HB3 H 1.760 . 1 867 . 85 PRO CD C 51.600 . 1 868 . 85 PRO HD2 H 3.960 . 2 869 . 85 PRO HD3 H 3.860 . 2 870 . 86 GLU N N 114.781 . 1 871 . 86 GLU H H 7.750 . 1 872 . 86 GLU CA C 57.600 . 1 873 . 86 GLU HA H 4.070 . 1 874 . 86 GLU CB C 28.500 . 1 875 . 86 GLU HB2 H 1.970 . 2 876 . 86 GLU HB3 H 1.780 . 2 877 . 86 GLU CG C 34.300 . 1 878 . 86 GLU HG2 H 2.380 . 2 879 . 86 GLU HG3 H 2.320 . 2 880 . 87 ASN N N 113.003 . 1 881 . 87 ASN H H 7.805 . 1 882 . 87 ASN CA C 53.500 . 1 883 . 87 ASN HA H 4.610 . 1 884 . 87 ASN CB C 38.900 . 1 885 . 87 ASN HB2 H 2.420 . 2 886 . 87 ASN HB3 H 2.330 . 2 887 . 88 PHE N N 118.305 . 1 888 . 88 PHE H H 7.384 . 1 889 . 88 PHE CA C 58.500 . 1 890 . 88 PHE HA H 4.140 . 1 891 . 88 PHE CB C 41.200 . 1 892 . 88 PHE HB2 H 3.080 . 2 893 . 88 PHE HB3 H 2.650 . 2 894 . 88 PHE CD1 C 131.600 . 1 895 . 88 PHE HD1 H 6.950 . 1 896 . 88 PHE CD2 C 131.600 . 1 897 . 88 PHE HD2 H 6.950 . 1 898 . 89 SER N N 115.254 . 1 899 . 89 SER H H 8.410 . 1 900 . 89 SER CA C 57.800 . 1 901 . 89 SER HA H 4.660 . 1 902 . 89 SER CB C 63.600 . 1 903 . 89 SER HB2 H 3.790 . 2 904 . 89 SER HB3 H 3.730 . 2 905 . 90 GLN N N 123.811 . 1 906 . 90 GLN H H 9.321 . 1 907 . 90 GLN CA C 56.500 . 1 908 . 90 GLN HA H 4.000 . 1 909 . 90 GLN CB C 27.200 . 1 910 . 90 GLN HB2 H 2.280 . 2 911 . 90 GLN HB3 H 2.080 . 2 912 . 90 GLN CG C 34.100 . 1 913 . 90 GLN HG2 H 2.340 . 1 914 . 90 GLN HG3 H 2.340 . 1 915 . 91 GLY N N 103.323 . 1 916 . 91 GLY H H 8.721 . 1 917 . 91 GLY CA C 46.300 . 1 918 . 91 GLY HA3 H 4.290 . 2 919 . 91 GLY HA2 H 3.590 . 2 920 . 92 HIS N N 117.097 . 1 921 . 92 HIS H H 7.965 . 1 922 . 92 HIS CA C 54.400 . 1 923 . 92 HIS HA H 5.960 . 1 924 . 92 HIS CB C 32.700 . 1 925 . 92 HIS HB2 H 3.490 . 2 926 . 92 HIS HB3 H 3.280 . 2 927 . 92 HIS CD2 C 121.200 . 1 928 . 92 HIS HD2 H 7.300 . 3 929 . 92 HIS CE1 C 134.600 . 1 930 . 92 HIS HE1 H 8.400 . 1 931 . 93 LEU N N 121.704 . 1 932 . 93 LEU H H 8.789 . 1 933 . 93 LEU CA C 54.800 . 1 934 . 93 LEU HA H 4.500 . 1 935 . 93 LEU CB C 45.600 . 1 936 . 93 LEU HB2 H 1.360 . 2 937 . 93 LEU HB3 H 0.750 . 2 938 . 93 LEU CG C 26.700 . 1 939 . 93 LEU HG H 0.980 . 1 940 . 93 LEU CD1 C 24.000 . 1 941 . 93 LEU HD1 H 0.520 . 2 942 . 93 LEU CD2 C 26.700 . 2 943 . 93 LEU HD2 H -0.160 . 2 944 . 94 MET N N 123.886 . 1 945 . 94 MET H H 8.705 . 1 946 . 94 MET CA C 54.100 . 1 947 . 94 MET HA H 4.870 . 1 948 . 94 MET CB C 33.900 . 1 949 . 94 MET HB2 H 2.120 . 2 950 . 94 MET HB3 H 2.030 . 2 951 . 94 MET CG C 32.000 . 1 952 . 94 MET HG2 H 2.640 . 1 953 . 94 MET HG3 H 2.640 . 1 954 . 94 MET CE C 17.300 . 1 955 . 94 MET HE H 2.110 . 1 956 . 95 TRP N N 123.972 . 1 957 . 95 TRP H H 8.554 . 1 958 . 95 TRP CA C 56.500 . 1 959 . 95 TRP HA H 4.410 . 1 960 . 95 TRP CB C 28.900 . 1 961 . 95 TRP HB2 H 3.350 . 2 962 . 95 TRP HB3 H 2.950 . 2 963 . 95 TRP CD1 C 122.800 . 3 964 . 95 TRP HD1 H 6.560 . 1 965 . 95 TRP NE1 N 130.290 . 1 966 . 95 TRP HE1 H 10.610 . 2 967 . 95 TRP CZ2 C 113.400 . 3 968 . 95 TRP HZ2 H 7.300 . 3 969 . 95 TRP CH2 C 124.060 . 1 970 . 95 TRP HH2 H 7.560 . 1 971 . 95 TRP CZ3 C 120.500 . 1 972 . 95 TRP HZ3 H 6.920 . 3 973 . 95 TRP CE3 C 120.100 . 3 974 . 95 TRP HE3 H 7.450 . 3 975 . 96 ASN N N 116.785 . 1 976 . 96 ASN H H 6.857 . 1 977 . 96 ASN CA C 52.100 . 1 978 . 96 ASN HA H 4.830 . 1 979 . 96 ASN CB C 40.200 . 1 980 . 96 ASN HB2 H 3.070 . 1 981 . 96 ASN HB3 H 3.070 . 1 982 . 97 ASP N N 118.198 . 1 983 . 97 ASP H H 8.743 . 1 984 . 97 ASP CA C 58.000 . 1 985 . 97 ASP HA H 4.220 . 1 986 . 97 ASP CB C 40.100 . 1 987 . 97 ASP HB2 H 2.780 . 2 988 . 97 ASP HB3 H 2.650 . 2 989 . 98 ASP N N 119.289 . 1 990 . 98 ASP H H 8.306 . 1 991 . 98 ASP CA C 56.900 . 1 992 . 98 ASP HA H 4.250 . 1 993 . 98 ASP CB C 39.000 . 1 994 . 98 ASP HB2 H 2.640 . 1 995 . 98 ASP HB3 H 2.640 . 1 996 . 99 LEU N N 121.583 . 1 997 . 99 LEU H H 7.624 . 1 998 . 99 LEU CA C 56.700 . 1 999 . 99 LEU HA H 3.810 . 1 1000 . 99 LEU CB C 41.700 . 1 1001 . 99 LEU HB2 H 1.360 . 2 1002 . 99 LEU HB3 H 1.310 . 2 1003 . 99 LEU HG H 0.330 . 1 1004 . 99 LEU CD1 C 23.500 . 1 1005 . 99 LEU HD1 H 0.510 . 2 1006 . 99 LEU CD2 C 27.700 . 2 1007 . 99 LEU HD2 H 0.270 . 2 1008 . 100 PHE N N 112.144 . 1 1009 . 100 PHE H H 6.801 . 1 1010 . 100 PHE CA C 57.600 . 1 1011 . 100 PHE HA H 4.170 . 1 1012 . 100 PHE CB C 38.500 . 1 1013 . 100 PHE HB2 H 3.290 . 2 1014 . 100 PHE HB3 H 2.050 . 2 1015 . 100 PHE CD1 C 131.400 . 1 1016 . 100 PHE HD1 H 6.440 . 1 1017 . 100 PHE CE1 C 129.100 . 1 1018 . 100 PHE HE1 H 6.130 . 1 1019 . 100 PHE CE2 C 129.100 . 1 1020 . 100 PHE HE2 H 6.130 . 1 1021 . 100 PHE CD2 C 131.400 . 1 1022 . 100 PHE HD2 H 6.440 . 1 1023 . 101 SER N N 116.874 . 1 1024 . 101 SER H H 7.531 . 1 1025 . 101 SER CA C 62.400 . 1 1026 . 101 SER HA H 4.130 . 1 1027 . 101 SER CB C 62.900 . 1 1028 . 101 SER HB2 H 4.010 . 2 1029 . 101 SER HB3 H 3.950 . 2 1030 . 102 GLU N N 118.607 . 1 1031 . 102 GLU H H 8.408 . 1 1032 . 102 GLU CA C 55.000 . 1 1033 . 102 GLU HA H 4.680 . 1 1034 . 102 GLU CB C 27.900 . 1 1035 . 102 GLU HB2 H 2.350 . 2 1036 . 102 GLU HB3 H 1.780 . 2 1037 . 103 ALA N N 126.409 . 1 1038 . 103 ALA H H 8.061 . 1 1039 . 103 ALA CA C 50.200 . 1 1040 . 103 ALA HA H 4.740 . 1 1041 . 103 ALA CB C 20.000 . 1 1042 . 103 ALA HB H 1.260 . 1 1043 . 104 GLN N N 121.739 . 1 1044 . 104 GLN H H 8.909 . 1 1045 . 104 GLN CA C 61.300 . 1 1046 . 104 GLN HA H 4.250 . 1 1047 . 104 GLN CB C 26.300 . 1 1048 . 104 GLN HB2 H 2.160 . 1 1049 . 104 GLN HB3 H 2.160 . 1 1050 . 104 GLN CG C 34.300 . 1 1051 . 104 GLN HG2 H 2.600 . 2 1052 . 104 GLN HG3 H 2.480 . 2 1053 . 105 PRO CA C 66.300 . 1 1054 . 105 PRO HA H 4.320 . 1 1055 . 105 PRO CB C 31.600 . 1 1056 . 105 PRO HB2 H 2.500 . 2 1057 . 105 PRO HB3 H 1.830 . 2 1058 . 105 PRO CG C 28.800 . 1 1059 . 105 PRO HG2 H 2.090 . 2 1060 . 105 PRO HG3 H 1.990 . 2 1061 . 105 PRO CD C 50.900 . 1 1062 . 105 PRO HD2 H 3.780 . 2 1063 . 105 PRO HD3 H 3.570 . 2 1064 . 106 LEU N N 117.525 . 1 1065 . 106 LEU H H 6.559 . 1 1066 . 106 LEU CA C 57.600 . 1 1067 . 106 LEU HA H 3.290 . 1 1068 . 106 LEU CB C 41.500 . 1 1069 . 106 LEU HB2 H 1.690 . 2 1070 . 106 LEU HB3 H 0.310 . 2 1071 . 106 LEU CG C 28.300 . 1 1072 . 106 LEU HG H 1.030 . 1 1073 . 106 LEU CD1 C 25.800 . 1 1074 . 106 LEU HD1 H 0.790 . 2 1075 . 106 LEU CD2 C 25.800 . 1 1076 . 106 LEU HD2 H 0.720 . 2 1077 . 107 TRP N N 121.303 . 1 1078 . 107 TRP H H 7.507 . 1 1079 . 107 TRP CA C 57.600 . 1 1080 . 107 TRP HA H 4.300 . 1 1081 . 107 TRP CB C 32.000 . 1 1082 . 107 TRP HB2 H 3.100 . 2 1083 . 107 TRP HB3 H 2.540 . 2 1084 . 107 TRP CD1 C 126.500 . 3 1085 . 107 TRP HD1 H 7.150 . 1 1086 . 107 TRP NE1 N 129.024 . 1 1087 . 107 TRP HE1 H 10.641 . 2 1088 . 108 GLU N N 118.470 . 1 1089 . 108 GLU H H 8.767 . 1 1090 . 108 GLU CA C 59.200 . 1 1091 . 108 GLU HA H 3.670 . 1 1092 . 108 GLU CB C 28.800 . 1 1093 . 108 GLU HB2 H 1.990 . 2 1094 . 108 GLU HB3 H 1.950 . 2 1095 . 108 GLU CG C 34.300 . 1 1096 . 108 GLU HG2 H 2.380 . 2 1097 . 108 GLU HG3 H 2.280 . 2 1098 . 109 ALA N N 120.823 . 1 1099 . 109 ALA H H 7.725 . 1 1100 . 109 ALA CA C 54.600 . 1 1101 . 109 ALA HA H 4.280 . 1 1102 . 109 ALA CB C 19.100 . 1 1103 . 109 ALA HB H 1.850 . 1 1104 . 110 ALA N N 127.674 . 1 1105 . 110 ALA H H 9.081 . 1 1106 . 110 ALA CA C 55.300 . 1 1107 . 110 ALA HA H 1.980 . 1 1108 . 110 ALA CB C 17.300 . 1 1109 . 110 ALA HB H 1.070 . 1 1110 . 111 ARG N N 118.642 . 1 1111 . 111 ARG H H 7.413 . 1 1112 . 111 ARG CA C 59.200 . 1 1113 . 111 ARG HA H 3.570 . 1 1114 . 111 ARG CB C 29.700 . 1 1115 . 111 ARG HB2 H 1.300 . 1 1116 . 111 ARG HB3 H 1.300 . 1 1117 . 112 ALA N N 121.363 . 1 1118 . 112 ALA H H 7.521 . 1 1119 . 112 ALA CA C 54.100 . 1 1120 . 112 ALA HA H 3.950 . 1 1121 . 112 ALA CB C 17.700 . 1 1122 . 112 ALA HB H 1.270 . 1 1123 . 113 HIS N N 112.996 . 1 1124 . 113 HIS H H 7.253 . 1 1125 . 113 HIS CA C 56.500 . 1 1126 . 113 HIS HA H 4.280 . 1 1127 . 113 HIS CB C 27.900 . 1 1128 . 113 HIS HB2 H 3.310 . 2 1129 . 113 HIS HB3 H 2.140 . 2 1130 . 113 HIS CD2 C 119.100 . 1 1131 . 113 HIS HD2 H 7.270 . 3 1132 . 113 HIS CE1 C 134.800 . 1 1133 . 113 HIS HE1 H 7.950 . 1 1134 . 114 GLY N N 106.238 . 1 1135 . 114 GLY H H 7.415 . 1 1136 . 114 GLY CA C 45.600 . 1 1137 . 114 GLY HA3 H 4.270 . 2 1138 . 114 GLY HA2 H 3.460 . 2 1139 . 115 LEU N N 121.068 . 1 1140 . 115 LEU H H 7.447 . 1 1141 . 115 LEU CA C 54.800 . 1 1142 . 115 LEU HA H 4.260 . 1 1143 . 115 LEU CB C 40.800 . 1 1144 . 115 LEU HB2 H 1.270 . 2 1145 . 115 LEU HB3 H 1.140 . 2 1146 . 115 LEU CG C 28.100 . 1 1147 . 115 LEU HG H 1.070 . 1 1148 . 115 LEU CD1 C 25.300 . 1 1149 . 115 LEU HD1 H 0.240 . 2 1150 . 115 LEU CD2 C 23.700 . 2 1151 . 115 LEU HD2 H -0.160 . 2 1152 . 116 ARG N N 115.896 . 1 1153 . 116 ARG H H 7.718 . 1 1154 . 116 ARG CA C 56.900 . 1 1155 . 116 ARG HA H 4.310 . 1 1156 . 116 ARG CB C 32.500 . 1 1157 . 116 ARG HB2 H 1.640 . 1 1158 . 116 ARG HB3 H 1.640 . 1 1159 . 116 ARG CG C 28.800 . 1 1160 . 116 ARG HG2 H 1.500 . 2 1161 . 116 ARG HG3 H 1.310 . 2 1162 . 116 ARG CD C 42.600 . 1 1163 . 116 ARG HD2 H 3.090 . 2 1164 . 116 ARG HD3 H 3.060 . 2 1165 . 117 ARG N N 115.720 . 1 1166 . 117 ARG H H 7.931 . 1 1167 . 117 ARG CA C 53.400 . 1 1168 . 117 ARG HA H 5.010 . 1 1169 . 117 ARG CB C 35.000 . 1 1170 . 117 ARG HB2 H 2.000 . 2 1171 . 117 ARG HB3 H 1.720 . 2 1172 . 117 ARG CG C 27.400 . 1 1173 . 117 ARG HG2 H 1.760 . 2 1174 . 117 ARG HG3 H 1.620 . 2 1175 . 117 ARG CD C 43.300 . 1 1176 . 117 ARG HD2 H 3.540 . 2 1177 . 117 ARG HD3 H 3.250 . 2 1178 . 118 GLY N N 108.054 . 1 1179 . 118 GLY H H 8.636 . 1 1180 . 118 GLY CA C 46.500 . 1 1181 . 118 GLY HA3 H 3.980 . 2 1182 . 118 GLY HA2 H 2.150 . 2 1183 . 119 VAL N N 115.368 . 1 1184 . 119 VAL H H 7.979 . 1 1185 . 119 VAL CA C 59.500 . 1 1186 . 119 VAL HA H 4.740 . 1 1187 . 119 VAL CB C 35.500 . 1 1188 . 119 VAL HB H 2.080 . 1 1189 . 119 VAL CG2 C 21.400 . 1 1190 . 119 VAL HG2 H 0.850 . 2 1191 . 119 VAL CG1 C 21.400 . 1 1192 . 119 VAL HG1 H 0.820 . 2 1193 . 120 THR N N 119.688 . 1 1194 . 120 THR H H 8.789 . 1 1195 . 120 THR CA C 62.400 . 1 1196 . 120 THR HA H 5.660 . 1 1197 . 120 THR CB C 73.300 . 1 1198 . 120 THR HB H 3.840 . 1 1199 . 120 THR CG2 C 22.600 . 1 1200 . 120 THR HG2 H 1.740 . 1 1201 . 121 GLN N N 128.422 . 1 1202 . 121 GLN H H 9.612 . 1 1203 . 121 GLN CA C 53.500 . 1 1204 . 121 GLN HA H 5.580 . 1 1205 . 121 GLN HB2 H 1.720 . 2 1206 . 121 GLN HB3 H 1.160 . 2 1207 . 121 GLN HG2 H 2.250 . 2 1208 . 121 GLN HG3 H 1.920 . 2 1209 . 122 TYR N N 129.333 . 1 1210 . 122 TYR H H 9.129 . 1 1211 . 122 TYR CA C 54.100 . 1 1212 . 122 TYR HA H 5.490 . 1 1213 . 122 TYR CB C 42.600 . 1 1214 . 122 TYR HB2 H 1.890 . 2 1215 . 122 TYR HB3 H 1.440 . 2 1216 . 122 TYR CD1 C 132.700 . 1 1217 . 122 TYR HD1 H 5.890 . 1 1218 . 122 TYR CE1 C 116.600 . 1 1219 . 122 TYR HE1 H 6.330 . 1 1220 . 122 TYR CE2 C 116.600 . 1 1221 . 122 TYR HE2 H 6.330 . 1 1222 . 122 TYR CD2 C 132.700 . 1 1223 . 122 TYR HD2 H 5.890 . 1 1224 . 123 LEU N N 128.186 . 1 1225 . 123 LEU H H 8.023 . 1 1226 . 123 LEU CA C 54.400 . 1 1227 . 123 LEU HA H 3.570 . 1 1228 . 123 LEU CB C 47.400 . 1 1229 . 123 LEU HB2 H 1.170 . 1 1230 . 123 LEU HB3 H 1.170 . 1 1231 . 123 LEU CG C 27.200 . 1 1232 . 123 LEU HG H 1.090 . 1 1233 . 123 LEU CD1 C 23.000 . 1 1234 . 123 LEU HD1 H 0.750 . 1 1235 . 123 LEU CD2 C 23.000 . 1 1236 . 123 LEU HD2 H 0.750 . 1 1237 . 124 MET N N 124.070 . 1 1238 . 124 MET H H 8.009 . 1 1239 . 124 MET CA C 54.100 . 1 1240 . 124 MET HA H 4.880 . 1 1241 . 124 MET CB C 34.800 . 1 1242 . 124 MET HB2 H 1.840 . 1 1243 . 124 MET HB3 H 1.840 . 1 1244 . 124 MET CG C 31.300 . 1 1245 . 124 MET HG2 H 2.170 . 1 1246 . 124 MET HG3 H 2.170 . 1 1247 . 124 MET CE C 17.000 . 1 1248 . 124 MET HE H 2.010 . 1 1249 . 125 LEU N N 127.780 . 1 1250 . 125 LEU H H 8.782 . 1 1251 . 125 LEU CA C 54.400 . 1 1252 . 125 LEU HA H 4.440 . 1 1253 . 125 LEU CB C 41.200 . 1 1254 . 125 LEU HB2 H 1.900 . 2 1255 . 125 LEU HB3 H 1.470 . 2 1256 . 125 LEU CG C 27.400 . 1 1257 . 125 LEU HG H 1.480 . 1 1258 . 125 LEU CD1 C 26.300 . 1 1259 . 125 LEU HD1 H 0.800 . 2 1260 . 125 LEU CD2 C 26.300 . 1 1261 . 125 LEU HD2 H 0.760 . 2 1262 . 126 PRO CA C 63.800 . 1 1263 . 126 PRO HA H 4.190 . 1 1264 . 126 PRO CB C 32.300 . 1 1265 . 126 PRO HB2 H 2.220 . 2 1266 . 126 PRO HB3 H 1.770 . 2 1267 . 126 PRO CG C 25.100 . 1 1268 . 126 PRO HG2 H 1.840 . 2 1269 . 126 PRO HG3 H 1.740 . 2 1270 . 126 PRO CD C 50.200 . 1 1271 . 126 PRO HD2 H 3.530 . 2 1272 . 126 PRO HD3 H 3.470 . 2 1273 . 129 ALA CA C 52.500 . 1 1274 . 129 ALA HA H 4.590 . 1 1275 . 129 ALA CB C 19.600 . 1 1276 . 129 ALA HB H 1.190 . 1 1277 . 130 LEU N N 119.606 . 1 1278 . 130 LEU H H 8.623 . 1 1279 . 130 LEU CA C 53.900 . 1 1280 . 130 LEU HA H 4.970 . 1 1281 . 130 LEU CB C 46.100 . 1 1282 . 130 LEU HB2 H 1.770 . 2 1283 . 130 LEU HB3 H 1.400 . 2 1284 . 130 LEU CG C 27.900 . 1 1285 . 130 LEU HG H 1.760 . 1 1286 . 130 LEU CD1 C 26.300 . 1 1287 . 130 LEU HD1 H 0.980 . 2 1288 . 130 LEU CD2 C 25.800 . 2 1289 . 130 LEU HD2 H 0.930 . 2 1290 . 131 GLY N N 106.682 . 1 1291 . 131 GLY H H 8.562 . 1 1292 . 131 GLY CA C 44.500 . 1 1293 . 131 GLY HA3 H 5.300 . 2 1294 . 131 GLY HA2 H 3.070 . 2 1295 . 132 PHE N N 117.753 . 1 1296 . 132 PHE H H 8.962 . 1 1297 . 132 PHE CA C 56.500 . 1 1298 . 132 PHE HA H 5.200 . 1 1299 . 132 PHE CB C 41.900 . 1 1300 . 132 PHE HB2 H 2.840 . 2 1301 . 132 PHE HB3 H 2.690 . 2 1302 . 132 PHE CD1 C 133.000 . 1 1303 . 132 PHE HD1 H 7.100 . 1 1304 . 132 PHE CD2 C 133.000 . 1 1305 . 132 PHE HD2 H 7.100 . 1 1306 . 133 LEU N N 129.958 . 1 1307 . 133 LEU H H 9.793 . 1 1308 . 133 LEU CA C 53.400 . 1 1309 . 133 LEU HA H 5.560 . 1 1310 . 133 LEU CB C 45.600 . 1 1311 . 133 LEU HB2 H 1.780 . 2 1312 . 133 LEU HB3 H 1.150 . 2 1313 . 133 LEU CG C 27.600 . 1 1314 . 133 LEU HG H 0.970 . 1 1315 . 133 LEU CD1 C 27.600 . 1 1316 . 133 LEU HD1 H 0.640 . 1 1317 . 133 LEU CD2 C 27.600 . 1 1318 . 133 LEU HD2 H 0.640 . 1 1319 . 134 SER N N 122.836 . 1 1320 . 134 SER H H 9.885 . 1 1321 . 134 SER CA C 57.600 . 1 1322 . 134 SER HA H 6.040 . 1 1323 . 134 SER CB C 64.800 . 1 1324 . 134 SER HB2 H 4.340 . 2 1325 . 134 SER HB3 H 3.990 . 2 1326 . 135 PHE N N 124.179 . 1 1327 . 135 PHE H H 8.858 . 1 1328 . 135 PHE CA C 52.100 . 1 1329 . 135 PHE HA H 5.940 . 1 1330 . 135 PHE CB C 40.500 . 1 1331 . 135 PHE HB2 H 2.400 . 2 1332 . 135 PHE HB3 H 1.900 . 2 1333 . 135 PHE CD1 C 129.700 . 1 1334 . 135 PHE HD1 H 7.120 . 1 1335 . 135 PHE CD2 C 129.700 . 1 1336 . 135 PHE HD2 H 7.120 . 1 1337 . 136 SER N N 110.666 . 1 1338 . 136 SER H H 8.935 . 1 1339 . 136 SER CA C 57.800 . 1 1340 . 136 SER HA H 5.300 . 1 1341 . 136 SER CB C 67.400 . 1 1342 . 136 SER HB2 H 3.840 . 1 1343 . 136 SER HB3 H 3.840 . 1 1344 . 137 ARG N N 118.489 . 1 1345 . 137 ARG H H 9.148 . 1 1346 . 137 ARG CA C 54.400 . 1 1347 . 137 ARG HA H 5.400 . 1 1348 . 137 ARG CB C 35.400 . 1 1349 . 137 ARG HB2 H 2.050 . 2 1350 . 137 ARG HB3 H 1.900 . 2 1351 . 138 CYS N N 119.398 . 1 1352 . 138 CYS H H 8.926 . 1 1353 . 138 CYS CA C 58.500 . 1 1354 . 138 CYS HA H 5.090 . 1 1355 . 138 CYS CB C 28.800 . 1 1356 . 138 CYS HB2 H 3.100 . 2 1357 . 138 CYS HB3 H 2.900 . 2 1358 . 139 SER N N 113.764 . 1 1359 . 139 SER H H 7.839 . 1 1360 . 139 SER CA C 57.500 . 1 1361 . 139 SER HA H 4.360 . 1 1362 . 139 SER CB C 64.100 . 1 1363 . 139 SER HB2 H 3.910 . 2 1364 . 139 SER HB3 H 3.670 . 2 1365 . 140 ALA N N 124.999 . 1 1366 . 140 ALA H H 8.560 . 1 1367 . 140 ALA CA C 52.300 . 1 1368 . 140 ALA HA H 4.160 . 1 1369 . 140 ALA CB C 19.100 . 1 1370 . 140 ALA HB H 1.320 . 1 1371 . 141 ARG N N 119.506 . 1 1372 . 141 ARG H H 7.778 . 1 1373 . 141 ARG CA C 56.500 . 1 1374 . 141 ARG HA H 4.100 . 1 1375 . 141 ARG CB C 30.900 . 1 1376 . 141 ARG HB2 H 1.630 . 1 1377 . 141 ARG HB3 H 1.630 . 1 1378 . 141 ARG CG C 27.200 . 1 1379 . 141 ARG HG2 H 1.500 . 1 1380 . 141 ARG HG3 H 1.500 . 1 1381 . 141 ARG CD C 43.300 . 1 1382 . 141 ARG HD2 H 3.080 . 1 1383 . 141 ARG HD3 H 3.080 . 1 1384 . 142 GLU N N 123.373 . 1 1385 . 142 GLU H H 8.559 . 1 1386 . 142 GLU CA C 56.000 . 1 1387 . 142 GLU HA H 4.150 . 1 1388 . 142 GLU CB C 29.500 . 1 1389 . 142 GLU HB2 H 1.920 . 2 1390 . 142 GLU HB3 H 1.830 . 2 1391 . 142 GLU CG C 34.700 . 1 1392 . 142 GLU HG2 H 2.280 . 2 1393 . 142 GLU HG3 H 2.230 . 2 1394 . 143 ILE N N 124.722 . 1 1395 . 143 ILE H H 8.243 . 1 1396 . 143 ILE CA C 58.800 . 1 1397 . 143 ILE HA H 4.320 . 1 1398 . 143 ILE CB C 39.200 . 1 1399 . 143 ILE HB H 1.720 . 1 1400 . 143 ILE CG1 C 27.100 . 1 1401 . 143 ILE HG12 H 1.390 . 1 1402 . 143 ILE HG13 H 1.000 . 1 1403 . 143 ILE CD1 C 13.100 . 1 1404 . 143 ILE HD1 H 0.720 . 1 1405 . 143 ILE CG2 C 17.200 . 1 1406 . 143 ILE HG2 H 0.810 . 1 1407 . 144 PRO CA C 63.600 . 1 1408 . 144 PRO HA H 4.370 . 1 1409 . 144 PRO CB C 31.800 . 1 1410 . 144 PRO HB2 H 2.180 . 2 1411 . 144 PRO HB3 H 1.870 . 2 1412 . 144 PRO CG C 27.700 . 1 1413 . 144 PRO HG2 H 1.980 . 2 1414 . 144 PRO HG3 H 1.910 . 2 1415 . 144 PRO CD C 51.100 . 1 1416 . 144 PRO HD2 H 3.770 . 2 1417 . 144 PRO HD3 H 3.650 . 2 1418 . 145 ILE N N 121.237 . 1 1419 . 145 ILE H H 7.972 . 1 1420 . 145 ILE CA C 60.600 . 1 1421 . 145 ILE HA H 4.120 . 1 1422 . 145 ILE CB C 39.300 . 1 1423 . 145 ILE HB H 1.780 . 1 1424 . 145 ILE CG1 C 27.700 . 1 1425 . 145 ILE HG12 H 1.460 . 1 1426 . 145 ILE HG13 H 1.160 . 1 1427 . 145 ILE CD1 C 13.400 . 1 1428 . 145 ILE HD1 H 0.820 . 1 1429 . 145 ILE CG2 C 17.500 . 1 1430 . 145 ILE HG2 H 0.870 . 1 1431 . 146 LEU N N 126.500 . 1 1432 . 146 LEU H H 8.446 . 1 1433 . 146 LEU CA C 54.800 . 1 1434 . 146 LEU HA H 4.370 . 1 1435 . 146 LEU CB C 41.700 . 1 1436 . 146 LEU HB2 H 1.630 . 2 1437 . 146 LEU HB3 H 1.580 . 2 1438 . 146 LEU CG C 27.400 . 1 1439 . 146 LEU HG H 1.580 . 1 1440 . 146 LEU CD1 C 25.100 . 1 1441 . 146 LEU HD1 H 0.860 . 2 1442 . 146 LEU CD2 C 23.500 . 2 1443 . 146 LEU HD2 H 0.780 . 2 1444 . 147 SER N N 117.462 . 1 1445 . 147 SER H H 8.237 . 1 1446 . 147 SER CA C 59.000 . 1 1447 . 147 SER HA H 4.280 . 1 1448 . 147 SER CB C 63.800 . 1 1449 . 147 SER HB2 H 3.990 . 2 1450 . 147 SER HB3 H 3.850 . 2 1451 . 148 ASP N N 120.846 . 1 1452 . 148 ASP H H 8.646 . 1 1453 . 148 ASP CA C 55.800 . 1 1454 . 148 ASP HA H 4.330 . 1 1455 . 148 ASP CB C 39.100 . 1 1456 . 148 ASP HB2 H 2.620 . 1 1457 . 148 ASP HB3 H 2.620 . 1 1458 . 150 LEU N N 119.072 . 1 1459 . 150 LEU H H 7.844 . 1 1460 . 150 LEU CA C 58.500 . 1 1461 . 150 LEU HA H 3.800 . 1 1462 . 150 LEU CB C 41.900 . 1 1463 . 150 LEU HB2 H 1.830 . 2 1464 . 150 LEU HB3 H 1.610 . 2 1465 . 150 LEU CG C 27.700 . 1 1466 . 150 LEU HG H 1.450 . 1 1467 . 150 LEU CD1 C 24.600 . 1 1468 . 150 LEU HD1 H 1.130 . 2 1469 . 150 LEU CD2 C 26.500 . 2 1470 . 150 LEU HD2 H 1.100 . 2 1471 . 151 GLN N N 116.792 . 1 1472 . 151 GLN H H 7.913 . 1 1473 . 151 GLN CA C 59.500 . 1 1474 . 151 GLN HA H 3.830 . 1 1475 . 151 GLN CB C 28.100 . 1 1476 . 151 GLN HB2 H 1.850 . 1 1477 . 151 GLN HB3 H 1.850 . 1 1478 . 151 GLN CG C 34.100 . 1 1479 . 151 GLN HG2 H 2.110 . 2 1480 . 151 GLN HG3 H 1.910 . 2 1481 . 152 LEU CA C 58.100 . 1 1482 . 152 LEU HA H 3.800 . 1 1483 . 152 LEU CB C 41.900 . 1 1484 . 152 LEU HB2 H 1.280 . 1 1485 . 152 LEU HB3 H 1.280 . 1 1486 . 152 LEU CG C 26.700 . 1 1487 . 152 LEU HG H 1.450 . 1 1488 . 152 LEU CD1 C 22.600 . 1 1489 . 152 LEU HD1 H 0.540 . 2 1490 . 152 LEU CD2 C 25.100 . 2 1491 . 152 LEU HD2 H 0.290 . 2 1492 . 153 LYS N N 117.923 . 1 1493 . 153 LYS H H 8.199 . 1 1494 . 153 LYS CA C 60.400 . 1 1495 . 153 LYS HA H 4.220 . 1 1496 . 154 MET N N 117.018 . 1 1497 . 154 MET H H 8.813 . 1 1498 . 154 MET CA C 61.500 . 1 1499 . 154 MET HA H 3.650 . 1 1500 . 154 MET CG C 34.300 . 1 1501 . 154 MET HG2 H 2.900 . 2 1502 . 154 MET HG3 H 1.570 . 2 1503 . 154 MET CE C 17.300 . 1 1504 . 154 MET HE H 1.220 . 1 1505 . 155 GLN N N 119.045 . 1 1506 . 155 GLN H H 8.664 . 1 1507 . 155 GLN CA C 59.700 . 1 1508 . 155 GLN HA H 3.740 . 1 1509 . 155 GLN CB C 29.300 . 1 1510 . 155 GLN HB2 H 2.240 . 2 1511 . 155 GLN HB3 H 2.150 . 2 1512 . 155 GLN CG C 34.600 . 1 1513 . 155 GLN HG2 H 2.460 . 2 1514 . 155 GLN HG3 H 2.190 . 2 1515 . 156 LEU N N 119.662 . 1 1516 . 156 LEU H H 7.437 . 1 1517 . 156 LEU CA C 59.000 . 1 1518 . 156 LEU HA H 4.150 . 1 1519 . 156 LEU CB C 41.500 . 1 1520 . 156 LEU HB2 H 2.160 . 1 1521 . 156 LEU HB3 H 2.160 . 1 1522 . 156 LEU CG C 28.300 . 1 1523 . 156 LEU HG H 1.790 . 1 1524 . 156 LEU CD1 C 27.000 . 1 1525 . 156 LEU HD1 H 1.000 . 2 1526 . 156 LEU CD2 C 25.100 . 2 1527 . 156 LEU HD2 H 0.710 . 2 1528 . 157 LEU N N 117.261 . 1 1529 . 157 LEU H H 8.680 . 1 1530 . 157 LEU CA C 58.300 . 1 1531 . 157 LEU HA H 3.660 . 1 1532 . 157 LEU CB C 42.900 . 1 1533 . 157 LEU HB2 H 1.890 . 2 1534 . 157 LEU HB3 H 1.150 . 2 1535 . 157 LEU CG C 27.400 . 1 1536 . 157 LEU HG H 2.350 . 1 1537 . 157 LEU CD1 C 26.500 . 1 1538 . 157 LEU HD1 H 1.120 . 2 1539 . 157 LEU CD2 C 23.500 . 2 1540 . 157 LEU HD2 H 1.020 . 2 1541 . 158 VAL N N 120.530 . 1 1542 . 158 VAL H H 8.745 . 1 1543 . 158 VAL CA C 66.100 . 1 1544 . 158 VAL HA H 3.680 . 1 1545 . 158 VAL CB C 31.300 . 1 1546 . 158 VAL HB H 1.870 . 1 1547 . 158 VAL CG2 C 21.600 . 1 1548 . 158 VAL HG2 H 0.970 . 2 1549 . 158 VAL CG1 C 23.300 . 2 1550 . 158 VAL HG1 H 0.750 . 2 1551 . 159 ARG N N 121.106 . 1 1552 . 159 ARG H H 6.935 . 1 1553 . 159 ARG CA C 60.400 . 1 1554 . 159 ARG HA H 3.660 . 1 1555 . 159 ARG CB C 30.600 . 1 1556 . 159 ARG HB2 H 1.810 . 1 1557 . 159 ARG HB3 H 1.810 . 1 1558 . 159 ARG CG C 27.700 . 1 1559 . 159 ARG HG2 H 1.350 . 2 1560 . 159 ARG HG3 H 1.230 . 2 1561 . 159 ARG CD C 43.100 . 1 1562 . 159 ARG HD2 H 3.110 . 1 1563 . 159 ARG HD3 H 3.110 . 1 1564 . 160 GLU N N 113.408 . 1 1565 . 160 GLU H H 8.701 . 1 1566 . 160 GLU CA C 58.100 . 1 1567 . 160 GLU HA H 3.630 . 1 1568 . 160 GLU HB2 H 1.200 . 2 1569 . 160 GLU HB3 H 0.650 . 2 1570 . 160 GLU CG C 36.200 . 1 1571 . 160 GLU HG2 H 2.270 . 2 1572 . 160 GLU HG3 H 1.720 . 2 1573 . 161 SER N N 115.425 . 1 1574 . 161 SER H H 7.807 . 1 1575 . 161 SER CA C 62.700 . 1 1576 . 161 SER HA H 3.940 . 1 1577 . 161 SER CB C 62.700 . 1 1578 . 161 SER HB2 H 3.630 . 2 1579 . 161 SER HB3 H 3.550 . 2 1580 . 162 LEU N N 122.456 . 1 1581 . 162 LEU H H 7.519 . 1 1582 . 162 LEU CA C 58.500 . 1 1583 . 162 LEU HA H 3.950 . 1 1584 . 162 LEU CD1 C 24.400 . 1 1585 . 162 LEU HD1 H 0.700 . 1 1586 . 162 LEU CD2 C 24.400 . 1 1587 . 162 LEU HD2 H 0.700 . 1 1588 . 163 MET N N 115.746 . 1 1589 . 163 MET H H 8.275 . 1 1590 . 163 MET HA H 4.100 . 1 1591 . 163 MET CB C 31.600 . 1 1592 . 163 MET HB2 H 1.990 . 1 1593 . 163 MET HB3 H 1.990 . 1 1594 . 163 MET CG C 32.500 . 1 1595 . 163 MET HG2 H 2.660 . 2 1596 . 163 MET HG3 H 2.500 . 2 1597 . 163 MET CE C 16.800 . 1 1598 . 163 MET HE H 1.970 . 1 1599 . 164 ALA N N 122.251 . 1 1600 . 164 ALA H H 8.005 . 1 1601 . 164 ALA CA C 55.500 . 1 1602 . 164 ALA HA H 4.130 . 1 1603 . 164 ALA CB C 18.700 . 1 1604 . 164 ALA HB H 1.520 . 1 1605 . 165 LEU N N 116.193 . 1 1606 . 165 LEU H H 8.228 . 1 1607 . 165 LEU CA C 58.300 . 1 1608 . 165 LEU HA H 3.900 . 1 1609 . 165 LEU CB C 41.200 . 1 1610 . 165 LEU HB2 H 1.860 . 2 1611 . 165 LEU HB3 H 1.360 . 2 1612 . 165 LEU CD1 C 21.900 . 1 1613 . 165 LEU HD1 H 0.720 . 1 1614 . 165 LEU CD2 C 21.900 . 1 1615 . 165 LEU HD2 H 0.720 . 1 1616 . 166 MET N N 117.338 . 1 1617 . 166 MET H H 8.101 . 1 1618 . 166 MET CA C 58.500 . 1 1619 . 166 MET HA H 4.190 . 1 1620 . 166 MET CB C 32.700 . 1 1621 . 166 MET HB2 H 2.060 . 1 1622 . 166 MET HB3 H 2.060 . 1 1623 . 166 MET CG C 32.500 . 1 1624 . 166 MET HG2 H 2.630 . 2 1625 . 166 MET HG3 H 2.460 . 2 1626 . 166 MET CE C 17.500 . 1 1627 . 166 MET HE H 1.900 . 1 1628 . 167 ARG N N 120.246 . 1 1629 . 167 ARG H H 7.752 . 1 1630 . 167 ARG CA C 59.000 . 1 1631 . 167 ARG HA H 4.150 . 1 1632 . 167 ARG CB C 30.000 . 1 1633 . 167 ARG HB2 H 2.060 . 2 1634 . 167 ARG HB3 H 1.880 . 2 1635 . 167 ARG CG C 27.200 . 1 1636 . 167 ARG HG2 H 1.600 . 1 1637 . 167 ARG HG3 H 1.600 . 1 1638 . 167 ARG CD C 43.500 . 1 1639 . 167 ARG HD2 H 3.330 . 2 1640 . 167 ARG HD3 H 3.140 . 2 1641 . 168 LEU N N 118.215 . 1 1642 . 168 LEU H H 7.843 . 1 1643 . 168 LEU CA C 55.500 . 1 1644 . 168 LEU HA H 4.140 . 1 1645 . 168 LEU CB C 41.800 . 1 1646 . 168 LEU HB2 H 1.630 . 2 1647 . 168 LEU HB3 H 1.430 . 2 1648 . 168 LEU CG C 26.300 . 1 1649 . 168 LEU HG H 1.750 . 1 1650 . 168 LEU CD1 C 22.600 . 1 1651 . 168 LEU HD1 H 0.640 . 2 1652 . 168 LEU CD2 C 24.900 . 2 1653 . 168 LEU HD2 H 0.360 . 2 1654 . 169 ASN N N 115.672 . 1 1655 . 169 ASN H H 7.900 . 1 1656 . 169 ASN CA C 53.900 . 1 1657 . 169 ASN HA H 4.600 . 1 1658 . 169 ASN CB C 38.400 . 1 1659 . 169 ASN HB2 H 2.980 . 2 1660 . 169 ASN HB3 H 2.770 . 2 1661 . 170 ASP N N 117.923 . 1 1662 . 170 ASP H H 8.199 . 1 1663 . 170 ASP CA C 53.700 . 1 1664 . 170 ASP HA H 4.770 . 1 1665 . 170 ASP CB C 39.400 . 1 1666 . 170 ASP HB2 H 2.990 . 2 1667 . 170 ASP HB3 H 2.640 . 2 1668 . 171 GLU N N 123.490 . 1 1669 . 171 GLU H H 7.802 . 1 1670 . 171 GLU CA C 56.700 . 1 1671 . 171 GLU HA H 4.180 . 1 1672 . 171 GLU CB C 30.400 . 1 1673 . 171 GLU HB2 H 2.020 . 2 1674 . 171 GLU HB3 H 1.790 . 2 1675 . 171 GLU CG C 34.100 . 1 1676 . 171 GLU HG2 H 2.270 . 1 1677 . 171 GLU HG3 H 2.270 . 1 stop_ save_