data_5692 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural and functional insights into PINCH LIM4 domain-mediated integrin signaling ; _BMRB_accession_number 5692 _BMRB_flat_file_name bmr5692.str _Entry_type original _Submission_date 2003-02-12 _Accession_date 2003-02-13 _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 Velyvis Algirdas . . 2 Vaynberg Julie . . 3 Vinogradova Olga . . 4 Zhang Yongjun . . 5 Wu Chuanyue . . 6 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 390 "13C chemical shifts" 227 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-08 original author . stop_ _Original_release_date 2003-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Insights into PINCH LIM4 Domain-mediated Integrin Signaling ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22708834 _PubMed_ID 12794636 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Velyvis Algirdas . . 2 Vaynberg Julie . . 3 Yang Yanwu . . 4 Vinogradova Olga . . 5 Zhang Yongjun . . 6 Wu Chuanyue . . 7 Qin Jun . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 10 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 558 _Page_last 564 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_LIM4 _Saveframe_category molecular_system _Mol_system_name '4th LIM domain of PINCH protein' _Abbreviation_common LIM4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LIM4 $LIM4 'Zinc ion (II)' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'protein recognition domain from an adaptor protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LIM4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '4th LIM domain of PINCH protein' _Abbreviation_common LIM4 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; GSMGVPICGACRRPIEGRVV NAMGKQWHVEHFVCAKCEKP FLGHRHYERKGLAYCETHYN QLFGDV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 GLY 5 VAL 6 PRO 7 ILE 8 CYS 9 GLY 10 ALA 11 CYS 12 ARG 13 ARG 14 PRO 15 ILE 16 GLU 17 GLY 18 ARG 19 VAL 20 VAL 21 ASN 22 ALA 23 MET 24 GLY 25 LYS 26 GLN 27 TRP 28 HIS 29 VAL 30 GLU 31 HIS 32 PHE 33 VAL 34 CYS 35 ALA 36 LYS 37 CYS 38 GLU 39 LYS 40 PRO 41 PHE 42 LEU 43 GLY 44 HIS 45 ARG 46 HIS 47 TYR 48 GLU 49 ARG 50 LYS 51 GLY 52 LEU 53 ALA 54 TYR 55 CYS 56 GLU 57 THR 58 HIS 59 TYR 60 ASN 61 GLN 62 LEU 63 PHE 64 GLY 65 ASP 66 VAL 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 PDB 1NYP "4th Lim Domain Of Pinch Protein" 100.00 66 100.00 100.00 4.05e-41 PDB 1U5S "Nmr Structure Of The Complex Between Nck-2 Sh3 Domain And Pinch-1 Lim4 Domain" 100.00 66 100.00 100.00 4.05e-41 GB AGW21640 "NLS-YFP-Lim4-CFP [Yeast integrative vector pYFP-Lim4-CFP]" 100.00 575 96.97 96.97 7.76e-41 GB EFB20618 "hypothetical protein PANDA_020828 [Ailuropoda melanoleuca]" 98.48 276 98.46 98.46 1.12e-37 GB ELW62207 "LIM and senescent cell antigen-like-containing domain protein 2 [Tupaia chinensis]" 54.55 263 97.22 100.00 5.98e-16 GB KFP50847 "LIM and senescent cell antigen-like-containing domain protein 1, partial [Cathartes aura]" 98.48 274 98.46 98.46 1.05e-37 GB KFP56517 "LIM and senescent cell antigen-like-containing domain protein 1, partial [Cariama cristata]" 98.48 274 98.46 98.46 1.05e-37 REF XP_002832613 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1 isoform X1 [Pongo abelii]" 100.00 272 96.97 96.97 8.20e-38 REF XP_002930391 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like, partial [Ailuropoda melanoleuca]" 100.00 302 96.97 96.97 1.15e-37 REF XP_004005972 "PREDICTED: LOW QUALITY PROTEIN: LIM and senescent cell antigen-like-containing domain protein 1 [Ovis aries]" 98.48 388 98.46 98.46 6.72e-37 REF XP_004938580 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like [Gallus gallus]" 92.42 101 98.36 98.36 3.26e-36 REF XP_005953270 "PREDICTED: LIM and senescent cell antigen-like-containing domain protein 1-like, partial [Haplochromis burtoni]" 100.00 257 96.97 96.97 7.08e-38 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LIM4 Human 9606 Eukaryota Metazoa Homo sapiens 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 $LIM4 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_the_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LIM4 1.7 mM '[U-95% 13C; U-95% 15N]' NaCl 50 mM . Na2HPO4 25 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $the_sample save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $the_sample save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $the_sample save_ save_N,C-edited-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name N,C-edited-NOESY _Sample_label $the_sample save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $the_sample save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $the_sample save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name N,C-edited-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_the_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 0.03 mM pH 6.5 0.2 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . 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 $the_sample stop_ _Sample_conditions_label $the_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name LIM4 _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 58.19 0.2 1 2 . 2 SER CB C 63.70 0.2 1 3 . 3 MET H H 8.58 0.02 1 4 . 3 MET HA H 4.53 0.02 1 5 . 3 MET HB2 H 2.11 0.02 2 6 . 3 MET HB3 H 2.02 0.02 2 7 . 3 MET HG2 H 2.61 0.02 2 8 . 3 MET HG3 H 2.55 0.02 2 9 . 3 MET CA C 55.44 0.2 1 10 . 3 MET CB C 32.77 0.2 1 11 . 3 MET CG C 31.82 0.2 1 12 . 3 MET N N 124.88 0.2 1 13 . 4 GLY H H 8.39 0.02 1 14 . 4 GLY HA2 H 3.92 0.02 1 15 . 4 GLY HA3 H 3.92 0.02 1 16 . 4 GLY CA C 44.99 0.2 1 17 . 4 GLY N N 112.79 0.2 1 18 . 5 VAL H H 7.82 0.02 1 19 . 5 VAL HA H 4.40 0.02 1 20 . 5 VAL HB H 2.07 0.02 1 21 . 5 VAL HG2 H 0.89 0.02 1 22 . 5 VAL HG1 H 0.94 0.02 1 23 . 5 VAL CA C 59.53 0.2 1 24 . 5 VAL CB C 32.55 0.2 1 25 . 5 VAL CG2 C 20.32 0.2 1 26 . 5 VAL CG1 C 21.15 0.2 1 27 . 5 VAL N N 123.21 0.2 1 28 . 6 PRO HA H 4.35 0.02 1 29 . 6 PRO HB2 H 2.08 0.02 2 30 . 6 PRO HB3 H 1.57 0.02 2 31 . 6 PRO HG2 H 2.09 0.02 2 32 . 6 PRO HG3 H 1.94 0.02 2 33 . 6 PRO HD2 H 3.83 0.02 2 34 . 6 PRO HD3 H 3.73 0.02 2 35 . 6 PRO CA C 62.40 0.2 1 36 . 6 PRO CB C 32.28 0.2 1 37 . 6 PRO CG C 27.52 0.2 1 38 . 6 PRO CD C 50.80 0.2 1 39 . 7 ILE H H 8.03 0.02 1 40 . 7 ILE HA H 4.10 0.02 1 41 . 7 ILE HB H 1.57 0.02 1 42 . 7 ILE HG12 H 1.28 0.02 2 43 . 7 ILE HG13 H 1.19 0.02 2 44 . 7 ILE HG2 H 0.53 0.02 1 45 . 7 ILE HD1 H 0.58 0.02 1 46 . 7 ILE CA C 57.73 0.2 1 47 . 7 ILE CB C 38.92 0.2 1 48 . 7 ILE CG1 C 26.26 0.2 1 49 . 7 ILE CG2 C 17.06 0.2 1 50 . 7 ILE CD1 C 11.02 0.2 1 51 . 7 ILE N N 123.75 0.2 1 52 . 8 CYS H H 7.91 0.02 1 53 . 8 CYS HA H 4.35 0.02 1 54 . 8 CYS HB2 H 2.55 0.02 2 55 . 8 CYS HB3 H 3.70 0.02 2 56 . 8 CYS CA C 58.35 0.2 1 57 . 8 CYS CB C 32.13 0.2 1 58 . 8 CYS N N 128.66 0.2 1 59 . 9 GLY H H 9.03 0.02 1 60 . 9 GLY HA2 H 2.35 0.02 2 61 . 9 GLY HA3 H 3.66 0.02 2 62 . 9 GLY CA C 46.40 0.2 1 63 . 9 GLY N N 118.40 0.2 1 64 . 10 ALA H H 8.97 0.02 1 65 . 10 ALA HA H 4.90 0.02 1 66 . 10 ALA HB H 1.95 0.02 1 67 . 10 ALA CA C 53.46 0.2 1 68 . 10 ALA CB C 21.58 0.2 1 69 . 10 ALA N N 126.92 0.2 1 70 . 11 CYS H H 7.84 0.02 1 71 . 11 CYS HA H 4.75 0.02 1 72 . 11 CYS HB2 H 3.31 0.02 2 73 . 11 CYS HB3 H 2.65 0.02 2 74 . 11 CYS CA C 58.59 0.2 1 75 . 11 CYS CB C 30.35 0.2 1 76 . 11 CYS N N 117.38 0.2 1 77 . 12 ARG H H 7.93 0.02 1 78 . 12 ARG HA H 3.97 0.02 1 79 . 12 ARG HB2 H 2.12 0.02 2 80 . 12 ARG HB3 H 2.06 0.02 2 81 . 12 ARG HG2 H 1.50 0.02 1 82 . 12 ARG HG3 H 1.50 0.02 1 83 . 12 ARG HD2 H 3.16 0.02 1 84 . 12 ARG HD3 H 3.16 0.02 1 85 . 12 ARG HE H 7.10 0.02 1 86 . 12 ARG CA C 57.20 0.2 1 87 . 12 ARG CB C 26.49 0.2 1 88 . 12 ARG CG C 27.23 0.2 1 89 . 12 ARG CD C 42.80 0.2 1 90 . 12 ARG N N 118.10 0.2 1 91 . 12 ARG NE N 86.49 0.2 1 92 . 13 ARG H H 8.16 0.02 1 93 . 13 ARG HA H 5.00 0.02 1 94 . 13 ARG HB2 H 2.21 0.02 2 95 . 13 ARG HB3 H 2.09 0.02 2 96 . 13 ARG HG2 H 1.92 0.02 2 97 . 13 ARG HG3 H 1.76 0.02 2 98 . 13 ARG HD2 H 3.34 0.02 1 99 . 13 ARG HD3 H 3.34 0.02 1 100 . 13 ARG HE H 7.30 0.02 1 101 . 13 ARG CA C 53.30 0.2 1 102 . 13 ARG CB C 30.71 0.2 1 103 . 13 ARG CG C 27.17 0.2 1 104 . 13 ARG CD C 43.09 0.2 1 105 . 13 ARG N N 121.52 0.2 1 106 . 13 ARG NE N 87.12 0.2 1 107 . 14 PRO HA H 4.71 0.02 1 108 . 14 PRO HB2 H 2.15 0.02 2 109 . 14 PRO HB3 H 1.78 0.02 2 110 . 14 PRO HG2 H 2.11 0.02 2 111 . 14 PRO HG3 H 1.84 0.02 2 112 . 14 PRO HD2 H 3.87 0.02 2 113 . 14 PRO HD3 H 3.67 0.02 2 114 . 14 PRO CA C 62.45 0.2 1 115 . 14 PRO CB C 32.70 0.2 1 116 . 14 PRO CG C 27.82 0.2 1 117 . 14 PRO CD C 50.89 0.2 1 118 . 15 ILE H H 8.18 0.02 1 119 . 15 ILE HA H 3.85 0.02 1 120 . 15 ILE HB H 1.27 0.02 1 121 . 15 ILE HG12 H 1.18 0.02 1 122 . 15 ILE HG13 H -0.65 0.02 1 123 . 15 ILE HG2 H 0.57 0.02 1 124 . 15 ILE HD1 H 0.28 0.02 1 125 . 15 ILE CA C 60.53 0.2 1 126 . 15 ILE CB C 38.75 0.2 1 127 . 15 ILE CG1 C 26.25 0.2 1 128 . 15 ILE CG2 C 19.30 0.2 1 129 . 15 ILE CD1 C 15.76 0.2 1 130 . 15 ILE N N 125.69 0.2 1 131 . 16 GLU H H 8.96 0.02 1 132 . 16 GLU HA H 4.39 0.02 1 133 . 16 GLU HB2 H 2.13 0.02 2 134 . 16 GLU HB3 H 1.95 0.02 2 135 . 16 GLU HG2 H 2.23 0.02 1 136 . 16 GLU HG3 H 2.23 0.02 1 137 . 16 GLU CA C 56.06 0.2 1 138 . 16 GLU CB C 30.28 0.2 1 139 . 16 GLU CG C 36.02 0.2 1 140 . 16 GLU N N 129.97 0.2 1 141 . 17 GLY H H 7.94 0.02 1 142 . 17 GLY HA2 H 3.93 0.02 2 143 . 17 GLY HA3 H 4.12 0.02 2 144 . 17 GLY CA C 44.44 0.2 1 145 . 17 GLY N N 113.17 0.2 1 146 . 18 ARG H H 8.44 0.02 1 147 . 18 ARG HA H 4.10 0.02 1 148 . 18 ARG HB2 H 1.78 0.02 1 149 . 18 ARG HB3 H 1.78 0.02 1 150 . 18 ARG HG2 H 1.68 0.02 2 151 . 18 ARG HG3 H 1.53 0.02 2 152 . 18 ARG HD2 H 3.22 0.02 1 153 . 18 ARG HD3 H 3.22 0.02 1 154 . 18 ARG HE H 7.26 0.02 1 155 . 18 ARG CA C 57.17 0.2 1 156 . 18 ARG CB C 30.34 0.2 1 157 . 18 ARG CG C 27.29 0.2 1 158 . 18 ARG CD C 43.50 0.2 1 159 . 18 ARG N N 127.32 0.2 1 160 . 18 ARG NE N 86.58 0.2 1 161 . 19 VAL H H 8.28 0.02 1 162 . 19 VAL HA H 4.19 0.02 1 163 . 19 VAL HB H 1.93 0.02 1 164 . 19 VAL HG1 H 0.78 0.02 1 165 . 19 VAL HG2 H 0.88 0.02 1 166 . 19 VAL CA C 61.05 0.2 1 167 . 19 VAL CB C 34.49 0.2 1 168 . 19 VAL CG1 C 21.62 0.2 1 169 . 19 VAL CG2 C 22.09 0.2 1 170 . 19 VAL N N 126.38 0.2 1 171 . 20 VAL H H 8.57 0.02 1 172 . 20 VAL HA H 4.23 0.02 1 173 . 20 VAL HB H 1.99 0.02 1 174 . 20 VAL HG1 H 0.66 0.02 1 175 . 20 VAL HG2 H 1.04 0.02 1 176 . 20 VAL CA C 61.50 0.2 1 177 . 20 VAL CB C 33.48 0.2 1 178 . 20 VAL CG1 C 20.96 0.2 1 179 . 20 VAL CG2 C 22.39 0.2 1 180 . 20 VAL N N 128.94 0.2 1 181 . 21 ASN H H 8.84 0.02 1 182 . 21 ASN HA H 5.42 0.02 1 183 . 21 ASN HB2 H 2.63 0.02 2 184 . 21 ASN HB3 H 2.71 0.02 2 185 . 21 ASN HD22 H 6.84 0.02 1 186 . 21 ASN HD21 H 7.46 0.02 1 187 . 21 ASN CA C 52.27 0.2 1 188 . 21 ASN CB C 39.98 0.2 1 189 . 21 ASN N N 130.04 0.2 1 190 . 21 ASN ND2 N 116.09 0.2 1 191 . 22 ALA H H 8.56 0.02 1 192 . 22 ALA HA H 4.46 0.02 1 193 . 22 ALA HB H 0.47 0.02 1 194 . 22 ALA CA C 52.91 0.2 1 195 . 22 ALA CB C 22.16 0.2 1 196 . 22 ALA N N 126.05 0.2 1 197 . 23 MET H H 9.77 0.02 1 198 . 23 MET HA H 4.22 0.02 1 199 . 23 MET HB2 H 2.47 0.02 1 200 . 23 MET HB3 H 2.47 0.02 1 201 . 23 MET HG2 H 2.47 0.02 2 202 . 23 MET HG3 H 2.43 0.02 2 203 . 23 MET HE H 2.00 0.02 1 204 . 23 MET CA C 56.28 0.2 1 205 . 23 MET CB C 29.87 0.2 1 206 . 23 MET CG C 32.42 0.2 1 207 . 23 MET CE C 16.53 0.2 1 208 . 23 MET N N 122.37 0.2 1 209 . 24 GLY H H 8.79 0.02 1 210 . 24 GLY HA2 H 4.13 0.02 2 211 . 24 GLY HA3 H 3.66 0.02 2 212 . 24 GLY CA C 45.58 0.2 1 213 . 24 GLY N N 108.17 0.2 1 214 . 25 LYS H H 7.86 0.02 1 215 . 25 LYS HA H 4.46 0.02 1 216 . 25 LYS HB2 H 1.35 0.02 2 217 . 25 LYS HB3 H 1.25 0.02 2 218 . 25 LYS HG2 H 1.32 0.02 2 219 . 25 LYS HG3 H 1.26 0.02 2 220 . 25 LYS HD2 H 1.59 0.02 2 221 . 25 LYS HD3 H 1.41 0.02 2 222 . 25 LYS HE2 H 3.02 0.02 1 223 . 25 LYS HE3 H 3.02 0.02 1 224 . 25 LYS CA C 54.29 0.2 1 225 . 25 LYS CB C 36.84 0.2 1 226 . 25 LYS CG C 25.45 0.2 1 227 . 25 LYS CD C 29.53 0.2 1 228 . 25 LYS CE C 42.34 0.2 1 229 . 25 LYS N N 122.80 0.2 1 230 . 26 GLN H H 7.92 0.02 1 231 . 26 GLN HA H 5.28 0.02 1 232 . 26 GLN HB2 H 1.78 0.02 2 233 . 26 GLN HB3 H 1.41 0.02 2 234 . 26 GLN HG2 H 2.18 0.02 1 235 . 26 GLN HG3 H 2.18 0.02 1 236 . 26 GLN HE22 H 6.71 0.02 1 237 . 26 GLN HE21 H 7.49 0.02 1 238 . 26 GLN CA C 54.83 0.2 1 239 . 26 GLN CB C 31.40 0.2 1 240 . 26 GLN CG C 35.24 0.2 1 241 . 26 GLN N N 122.32 0.2 1 242 . 26 GLN NE2 N 115.37 0.2 1 243 . 27 TRP H H 8.74 0.02 1 244 . 27 TRP HA H 5.55 0.02 1 245 . 27 TRP HB2 H 2.59 0.02 1 246 . 27 TRP HB3 H 3.55 0.02 1 247 . 27 TRP HD1 H 6.74 0.02 1 248 . 27 TRP HE1 H 9.71 0.02 1 249 . 27 TRP HZ2 H 7.27 0.02 1 250 . 27 TRP HH2 H 7.35 0.02 1 251 . 27 TRP HE3 H 7.69 0.02 1 252 . 27 TRP HZ3 H 7.13 0.02 1 253 . 27 TRP CA C 55.59 0.2 1 254 . 27 TRP CB C 32.95 0.2 1 255 . 27 TRP CD1 C 128.24 0.2 1 256 . 27 TRP CZ2 C 113.94 0.2 1 257 . 27 TRP CH2 C 123.77 0.2 1 258 . 27 TRP CE3 C 121.21 0.2 1 259 . 27 TRP CZ3 C 121.09 0.2 1 260 . 27 TRP N N 119.40 0.2 1 261 . 27 TRP NE1 N 132.42 0.2 1 262 . 28 HIS H H 8.89 0.02 1 263 . 28 HIS HA H 4.79 0.02 1 264 . 28 HIS HB2 H 2.52 0.02 2 265 . 28 HIS HB3 H 3.46 0.02 2 266 . 28 HIS HD2 H 7.75 0.02 1 267 . 28 HIS CA C 59.48 0.2 1 268 . 28 HIS CB C 30.57 0.2 1 269 . 28 HIS CD2 C 120.40 0.2 1 270 . 28 HIS N N 123.19 0.2 1 271 . 29 VAL H H 9.38 0.02 1 272 . 29 VAL HA H 3.75 0.02 1 273 . 29 VAL HB H 2.08 0.02 1 274 . 29 VAL HG1 H 0.98 0.02 1 275 . 29 VAL HG2 H 1.08 0.02 1 276 . 29 VAL CA C 66.61 0.2 1 277 . 29 VAL CB C 31.72 0.2 1 278 . 29 VAL CG1 C 21.13 0.2 1 279 . 29 VAL CG2 C 22.41 0.2 1 280 . 29 VAL N N 128.33 0.2 1 281 . 30 GLU H H 9.60 0.02 1 282 . 30 GLU HA H 4.00 0.02 1 283 . 30 GLU HB2 H 1.96 0.02 2 284 . 30 GLU HB3 H 1.79 0.02 2 285 . 30 GLU HG2 H 2.10 0.02 2 286 . 30 GLU HG3 H 1.88 0.02 2 287 . 30 GLU CA C 58.15 0.2 1 288 . 30 GLU CB C 28.31 0.2 1 289 . 30 GLU CG C 35.88 0.2 1 290 . 30 GLU N N 118.40 0.2 1 291 . 31 HIS H H 7.92 0.02 1 292 . 31 HIS HA H 5.11 0.02 1 293 . 31 HIS HB2 H 3.88 0.02 2 294 . 31 HIS HB3 H 3.40 0.02 2 295 . 31 HIS HD2 H 6.99 0.02 1 296 . 31 HIS CA C 53.05 0.2 1 297 . 31 HIS CB C 33.92 0.2 1 298 . 31 HIS CD2 C 116.60 0.2 1 299 . 31 HIS N N 116.53 0.2 1 300 . 32 PHE H H 7.02 0.02 1 301 . 32 PHE HA H 4.62 0.02 1 302 . 32 PHE HB2 H 2.47 0.02 2 303 . 32 PHE HB3 H 2.89 0.02 2 304 . 32 PHE HD1 H 6.16 0.02 1 305 . 32 PHE HD2 H 6.16 0.02 1 306 . 32 PHE HE1 H 6.28 0.02 1 307 . 32 PHE HE2 H 6.28 0.02 1 308 . 32 PHE HZ H 5.45 0.02 1 309 . 32 PHE CA C 55.81 0.2 1 310 . 32 PHE CB C 37.20 0.2 1 311 . 32 PHE CD1 C 130.22 0.2 1 312 . 32 PHE CD2 C 130.22 0.2 1 313 . 32 PHE CE1 C 130.19 0.2 1 314 . 32 PHE CE2 C 130.19 0.2 1 315 . 32 PHE CZ C 127.66 0.2 1 316 . 32 PHE N N 125.75 0.2 1 317 . 33 VAL H H 7.73 0.02 1 318 . 33 VAL HA H 3.96 0.02 1 319 . 33 VAL HB H 1.14 0.02 1 320 . 33 VAL HG2 H 0.45 0.02 1 321 . 33 VAL HG1 H 0.33 0.02 1 322 . 33 VAL CA C 57.61 0.2 1 323 . 33 VAL CB C 36.00 0.2 1 324 . 33 VAL CG2 C 17.79 0.2 1 325 . 33 VAL CG1 C 20.36 0.2 1 326 . 33 VAL N N 121.33 0.2 1 327 . 34 CYS H H 6.46 0.02 1 328 . 34 CYS HA H 4.15 0.02 1 329 . 34 CYS HB2 H 2.78 0.02 2 330 . 34 CYS HB3 H 3.41 0.02 2 331 . 34 CYS CA C 58.06 0.2 1 332 . 34 CYS CB C 31.78 0.2 1 333 . 34 CYS N N 122.95 0.2 1 334 . 35 ALA H H 9.28 0.02 1 335 . 35 ALA HA H 4.04 0.02 1 336 . 35 ALA HB H 1.23 0.02 1 337 . 35 ALA CA C 54.20 0.2 1 338 . 35 ALA CB C 19.28 0.2 1 339 . 35 ALA N N 134.69 0.2 1 340 . 36 LYS H H 9.02 0.02 1 341 . 36 LYS HA H 4.55 0.02 1 342 . 36 LYS HB2 H 1.69 0.02 1 343 . 36 LYS HB3 H 1.69 0.02 1 344 . 36 LYS HG2 H 1.06 0.02 2 345 . 36 LYS HG3 H 0.97 0.02 2 346 . 36 LYS HD2 H 1.58 0.02 2 347 . 36 LYS HD3 H 1.50 0.02 2 348 . 36 LYS HE2 H 2.84 0.02 2 349 . 36 LYS HE3 H 2.78 0.02 2 350 . 36 LYS CA C 56.68 0.2 1 351 . 36 LYS CB C 33.32 0.2 1 352 . 36 LYS CG C 24.08 0.2 1 353 . 36 LYS CD C 27.90 0.2 1 354 . 36 LYS CE C 41.99 0.2 1 355 . 36 LYS N N 121.10 0.2 1 356 . 37 CYS H H 8.00 0.02 1 357 . 37 CYS HA H 4.70 0.02 1 358 . 37 CYS HB2 H 3.35 0.02 2 359 . 37 CYS HB3 H 2.77 0.02 2 360 . 37 CYS CA C 58.35 0.2 1 361 . 37 CYS CB C 32.41 0.2 1 362 . 37 CYS N N 118.91 0.2 1 363 . 38 GLU H H 8.31 0.02 1 364 . 38 GLU HA H 3.83 0.02 1 365 . 38 GLU HB2 H 2.20 0.02 1 366 . 38 GLU HB3 H 2.20 0.02 1 367 . 38 GLU HG2 H 2.06 0.02 1 368 . 38 GLU HG3 H 2.06 0.02 1 369 . 38 GLU CA C 57.15 0.2 1 370 . 38 GLU CB C 26.27 0.2 1 371 . 38 GLU CG C 35.75 0.2 1 372 . 38 GLU N N 119.27 0.2 1 373 . 39 LYS H H 7.44 0.02 1 374 . 39 LYS HA H 4.70 0.02 1 375 . 39 LYS HB2 H 1.88 0.02 2 376 . 39 LYS HB3 H 1.69 0.02 2 377 . 39 LYS HG2 H 1.56 0.02 2 378 . 39 LYS HG3 H 1.43 0.02 2 379 . 39 LYS HD2 H 1.74 0.02 1 380 . 39 LYS HD3 H 1.74 0.02 1 381 . 39 LYS HE2 H 3.05 0.02 1 382 . 39 LYS HE3 H 3.05 0.02 1 383 . 39 LYS CA C 53.53 0.2 1 384 . 39 LYS CB C 32.53 0.2 1 385 . 39 LYS CG C 24.89 0.2 1 386 . 39 LYS CD C 28.86 0.2 1 387 . 39 LYS CE C 42.26 0.2 1 388 . 39 LYS N N 121.05 0.2 1 389 . 40 PRO HA H 4.51 0.02 1 390 . 40 PRO HB2 H 2.14 0.02 2 391 . 40 PRO HB3 H 1.91 0.02 2 392 . 40 PRO HG2 H 2.12 0.02 2 393 . 40 PRO HG3 H 2.05 0.02 2 394 . 40 PRO HD2 H 3.85 0.02 2 395 . 40 PRO HD3 H 3.75 0.02 2 396 . 40 PRO CA C 61.74 0.2 1 397 . 40 PRO CB C 31.48 0.2 1 398 . 40 PRO CG C 26.91 0.2 1 399 . 40 PRO CD C 50.80 0.2 1 400 . 41 PHE H H 6.94 0.02 1 401 . 41 PHE HA H 4.20 0.02 1 402 . 41 PHE HB2 H 3.45 0.02 2 403 . 41 PHE HB3 H 2.60 0.02 2 404 . 41 PHE HD1 H 6.59 0.02 1 405 . 41 PHE HD2 H 6.59 0.02 1 406 . 41 PHE HE1 H 6.39 0.02 1 407 . 41 PHE HE2 H 6.39 0.02 1 408 . 41 PHE CA C 60.71 0.2 1 409 . 41 PHE CB C 38.90 0.2 1 410 . 41 PHE CD1 C 131.82 0.2 1 411 . 41 PHE CD2 C 131.82 0.2 1 412 . 41 PHE CE1 C 128.24 0.2 1 413 . 41 PHE CE2 C 128.24 0.2 1 414 . 41 PHE N N 121.92 0.2 1 415 . 42 LEU H H 8.77 0.02 1 416 . 42 LEU HA H 3.77 0.02 1 417 . 42 LEU HB2 H 2.02 0.02 2 418 . 42 LEU HB3 H 1.51 0.02 2 419 . 42 LEU HG H 1.40 0.02 1 420 . 42 LEU HD1 H 0.81 0.02 1 421 . 42 LEU HD2 H 0.95 0.02 1 422 . 42 LEU CA C 55.45 0.2 1 423 . 42 LEU CB C 38.73 0.2 1 424 . 42 LEU CG C 26.19 0.2 1 425 . 42 LEU CD1 C 22.64 0.2 1 426 . 42 LEU CD2 C 25.70 0.2 1 427 . 42 LEU N N 117.30 0.2 1 428 . 43 GLY H H 8.72 0.02 1 429 . 43 GLY HA2 H 4.12 0.02 2 430 . 43 GLY HA3 H 3.84 0.02 2 431 . 43 GLY CA C 45.20 0.2 1 432 . 43 GLY N N 109.26 0.2 1 433 . 44 HIS H H 8.07 0.02 1 434 . 44 HIS HA H 4.67 0.02 1 435 . 44 HIS HB2 H 3.54 0.02 1 436 . 44 HIS HB3 H 3.54 0.02 1 437 . 44 HIS HE1 H 7.33 0.02 1 438 . 44 HIS HD2 H 7.52 0.02 1 439 . 44 HIS CA C 55.65 0.2 1 440 . 44 HIS CB C 29.67 0.2 1 441 . 44 HIS CE1 C 136.69 0.2 1 442 . 44 HIS CD2 C 120.08 0.2 1 443 . 44 HIS N N 121.33 0.2 1 444 . 45 ARG H H 8.61 0.02 1 445 . 45 ARG HA H 4.00 0.02 1 446 . 45 ARG HB2 H 1.77 0.02 2 447 . 45 ARG HB3 H 1.60 0.02 2 448 . 45 ARG HG2 H 1.42 0.02 2 449 . 45 ARG HG3 H 1.28 0.02 2 450 . 45 ARG HD2 H 3.02 0.02 1 451 . 45 ARG HD3 H 3.02 0.02 1 452 . 45 ARG HE H 6.78 0.02 1 453 . 45 ARG CA C 57.05 0.2 1 454 . 45 ARG CB C 30.95 0.2 1 455 . 45 ARG CG C 26.62 0.2 1 456 . 45 ARG CD C 43.36 0.2 1 457 . 45 ARG N N 123.75 0.2 1 458 . 45 ARG NE N 86.45 0.2 1 459 . 46 HIS H H 7.72 0.02 1 460 . 46 HIS HA H 4.92 0.02 1 461 . 46 HIS HB2 H 1.95 0.02 1 462 . 46 HIS HB3 H 0.94 0.02 1 463 . 46 HIS HD2 H 6.67 0.02 1 464 . 46 HIS CA C 53.48 0.2 1 465 . 46 HIS CB C 31.06 0.2 1 466 . 46 HIS CD2 C 119.08 0.2 1 467 . 46 HIS N N 119.89 0.2 1 468 . 47 TYR H H 8.92 0.02 1 469 . 47 TYR HA H 4.30 0.02 1 470 . 47 TYR HB2 H 2.27 0.02 2 471 . 47 TYR HB3 H 1.99 0.02 2 472 . 47 TYR HD1 H 6.62 0.02 1 473 . 47 TYR HD2 H 6.62 0.02 1 474 . 47 TYR HE1 H 6.53 0.02 1 475 . 47 TYR HE2 H 6.53 0.02 1 476 . 47 TYR CA C 56.73 0.2 1 477 . 47 TYR CB C 41.40 0.2 1 478 . 47 TYR CD1 C 132.26 0.2 1 479 . 47 TYR CD2 C 132.26 0.2 1 480 . 47 TYR CE1 C 116.87 0.2 1 481 . 47 TYR CE2 C 116.87 0.2 1 482 . 47 TYR N N 123.16 0.2 1 483 . 48 GLU H H 8.83 0.02 1 484 . 48 GLU HA H 5.52 0.02 1 485 . 48 GLU HB2 H 2.07 0.02 2 486 . 48 GLU HB3 H 2.00 0.02 2 487 . 48 GLU HG2 H 2.42 0.02 1 488 . 48 GLU HG3 H 2.42 0.02 1 489 . 48 GLU CA C 55.14 0.2 1 490 . 48 GLU CB C 31.78 0.2 1 491 . 48 GLU CG C 36.86 0.2 1 492 . 48 GLU N N 124.47 0.2 1 493 . 49 ARG H H 9.34 0.02 1 494 . 49 ARG HA H 4.52 0.02 1 495 . 49 ARG HB2 H 1.71 0.02 1 496 . 49 ARG HB3 H 1.71 0.02 1 497 . 49 ARG HG2 H 1.32 0.02 2 498 . 49 ARG HG3 H 1.03 0.02 2 499 . 49 ARG HD2 H 2.71 0.02 2 500 . 49 ARG HD3 H 2.38 0.02 2 501 . 49 ARG HE H 7.18 0.02 1 502 . 49 ARG CA C 56.61 0.2 1 503 . 49 ARG CB C 33.20 0.2 1 504 . 49 ARG CG C 27.08 0.2 1 505 . 49 ARG CD C 42.51 0.2 1 506 . 49 ARG N N 125.51 0.2 1 507 . 49 ARG NE N 86.51 0.2 1 508 . 50 LYS H H 9.73 0.02 1 509 . 50 LYS HA H 3.96 0.02 1 510 . 50 LYS HB2 H 2.17 0.02 2 511 . 50 LYS HB3 H 1.80 0.02 2 512 . 50 LYS HG2 H 1.47 0.02 1 513 . 50 LYS HG3 H 1.47 0.02 1 514 . 50 LYS HD2 H 1.76 0.02 1 515 . 50 LYS HD3 H 1.76 0.02 1 516 . 50 LYS HE2 H 3.04 0.02 1 517 . 50 LYS HE3 H 3.04 0.02 1 518 . 50 LYS CA C 57.13 0.2 1 519 . 50 LYS CB C 30.74 0.2 1 520 . 50 LYS CG C 25.72 0.2 1 521 . 50 LYS CD C 29.20 0.2 1 522 . 50 LYS CE C 42.09 0.2 1 523 . 50 LYS N N 130.98 0.2 1 524 . 51 GLY H H 8.91 0.02 1 525 . 51 GLY HA2 H 4.20 0.02 2 526 . 51 GLY HA3 H 3.71 0.02 2 527 . 51 GLY CA C 45.68 0.2 1 528 . 51 GLY N N 106.74 0.2 1 529 . 52 LEU H H 7.87 0.02 1 530 . 52 LEU HA H 4.70 0.02 1 531 . 52 LEU HB2 H 1.93 0.02 2 532 . 52 LEU HB3 H 1.13 0.02 2 533 . 52 LEU HG H 1.66 0.02 1 534 . 52 LEU HD2 H 1.01 0.02 1 535 . 52 LEU HD1 H 1.02 0.02 1 536 . 52 LEU CA C 53.25 0.2 1 537 . 52 LEU CB C 45.13 0.2 1 538 . 52 LEU CG C 27.25 0.2 1 539 . 52 LEU CD2 C 23.42 0.2 1 540 . 52 LEU CD1 C 25.65 0.2 1 541 . 52 LEU N N 124.05 0.2 1 542 . 53 ALA H H 8.19 0.02 1 543 . 53 ALA HA H 5.49 0.02 1 544 . 53 ALA HB H 1.17 0.02 1 545 . 53 ALA CA C 49.75 0.2 1 546 . 53 ALA CB C 22.47 0.2 1 547 . 53 ALA N N 124.63 0.2 1 548 . 54 TYR H H 9.20 0.02 1 549 . 54 TYR HA H 6.06 0.02 1 550 . 54 TYR HB2 H 2.86 0.02 2 551 . 54 TYR HB3 H 3.58 0.02 2 552 . 54 TYR HD1 H 7.18 0.02 1 553 . 54 TYR HD2 H 7.18 0.02 1 554 . 54 TYR HE1 H 6.85 0.02 1 555 . 54 TYR HE2 H 6.85 0.02 1 556 . 54 TYR CA C 56.96 0.2 1 557 . 54 TYR CB C 45.00 0.2 1 558 . 54 TYR CD1 C 132.40 0.2 1 559 . 54 TYR CD2 C 132.40 0.2 1 560 . 54 TYR CE1 C 118.50 0.2 1 561 . 54 TYR CE2 C 118.50 0.2 1 562 . 54 TYR N N 118.37 0.2 1 563 . 55 CYS H H 9.76 0.02 1 564 . 55 CYS HA H 5.32 0.02 1 565 . 55 CYS HB2 H 3.65 0.02 2 566 . 55 CYS HB3 H 3.37 0.02 2 567 . 55 CYS CA C 57.32 0.2 1 568 . 55 CYS CB C 30.51 0.2 1 569 . 55 CYS N N 123.97 0.2 1 570 . 56 GLU H H 9.14 0.02 1 571 . 56 GLU HA H 3.64 0.02 1 572 . 56 GLU HB2 H 2.23 0.02 1 573 . 56 GLU HB3 H 2.23 0.02 1 574 . 56 GLU HG2 H 2.21 0.02 1 575 . 56 GLU HG3 H 2.21 0.02 1 576 . 56 GLU CA C 60.75 0.2 1 577 . 56 GLU CB C 30.41 0.2 1 578 . 56 GLU CG C 35.87 0.2 1 579 . 56 GLU N N 123.78 0.2 1 580 . 57 THR H H 8.13 0.02 1 581 . 57 THR HA H 3.83 0.02 1 582 . 57 THR HB H 3.70 0.02 1 583 . 57 THR HG2 H 0.80 0.02 1 584 . 57 THR CA C 66.41 0.2 1 585 . 57 THR CB C 68.92 0.2 1 586 . 57 THR CG2 C 20.82 0.2 1 587 . 57 THR N N 116.42 0.2 1 588 . 58 HIS H H 8.35 0.02 1 589 . 58 HIS HA H 4.40 0.02 1 590 . 58 HIS HB2 H 3.50 0.02 2 591 . 58 HIS HB3 H 3.21 0.02 2 592 . 58 HIS HE1 H 7.94 0.02 1 593 . 58 HIS HD2 H 7.37 0.02 1 594 . 58 HIS CA C 62.29 0.2 1 595 . 58 HIS CB C 30.18 0.2 1 596 . 58 HIS CE1 C 139.11 0.2 1 597 . 58 HIS CD2 C 118.08 0.2 1 598 . 58 HIS N N 123.58 0.2 1 599 . 59 TYR H H 9.43 0.02 1 600 . 59 TYR HA H 3.84 0.02 1 601 . 59 TYR HB2 H 2.92 0.02 2 602 . 59 TYR HB3 H 2.58 0.02 2 603 . 59 TYR HD1 H 6.58 0.02 1 604 . 59 TYR HD2 H 6.58 0.02 1 605 . 59 TYR HE1 H 6.57 0.02 1 606 . 59 TYR HE2 H 6.57 0.02 1 607 . 59 TYR CA C 61.62 0.2 1 608 . 59 TYR CB C 38.96 0.2 1 609 . 59 TYR CD1 C 132.77 0.2 1 610 . 59 TYR CD2 C 132.77 0.2 1 611 . 59 TYR CE1 C 117.70 0.2 1 612 . 59 TYR CE2 C 117.70 0.2 1 613 . 59 TYR N N 125.10 0.2 1 614 . 60 ASN H H 7.95 0.02 1 615 . 60 ASN HA H 4.21 0.02 1 616 . 60 ASN HB2 H 2.79 0.02 2 617 . 60 ASN HB3 H 2.72 0.02 2 618 . 60 ASN HD22 H 6.99 0.02 1 619 . 60 ASN HD21 H 7.53 0.02 1 620 . 60 ASN CA C 55.62 0.2 1 621 . 60 ASN CB C 38.02 0.2 1 622 . 60 ASN N N 118.29 0.2 1 623 . 60 ASN ND2 N 114.04 0.2 1 624 . 61 GLN H H 7.56 0.02 1 625 . 61 GLN HA H 3.99 0.02 1 626 . 61 GLN HB2 H 2.06 0.02 1 627 . 61 GLN HB3 H 2.06 0.02 1 628 . 61 GLN HG2 H 2.57 0.02 2 629 . 61 GLN HG3 H 2.25 0.02 2 630 . 61 GLN HE22 H 6.74 0.02 1 631 . 61 GLN HE21 H 7.45 0.02 1 632 . 61 GLN CA C 57.94 0.2 1 633 . 61 GLN CB C 29.35 0.2 1 634 . 61 GLN CG C 33.71 0.2 1 635 . 61 GLN N N 120.03 0.2 1 636 . 61 GLN NE2 N 112.74 0.2 1 637 . 62 LEU H H 7.53 0.02 1 638 . 62 LEU HA H 3.85 0.02 1 639 . 62 LEU HB2 H 0.81 0.02 2 640 . 62 LEU HB3 H 0.14 0.02 2 641 . 62 LEU HG H 1.48 0.02 1 642 . 62 LEU HD1 H 0.58 0.02 1 643 . 62 LEU HD2 H 0.49 0.02 1 644 . 62 LEU CA C 56.36 0.2 1 645 . 62 LEU CB C 41.51 0.2 1 646 . 62 LEU CG C 27.02 0.2 1 647 . 62 LEU CD1 C 22.69 0.2 1 648 . 62 LEU CD2 C 25.43 0.2 1 649 . 62 LEU N N 119.78 0.2 1 650 . 63 PHE H H 7.65 0.02 1 651 . 63 PHE HA H 4.67 0.02 1 652 . 63 PHE HB2 H 2.00 0.02 2 653 . 63 PHE HB3 H 3.00 0.02 2 654 . 63 PHE HD1 H 6.81 0.02 1 655 . 63 PHE HD2 H 6.81 0.02 1 656 . 63 PHE HE1 H 6.60 0.02 1 657 . 63 PHE HE2 H 6.60 0.02 1 658 . 63 PHE HZ H 7.02 0.02 1 659 . 63 PHE CA C 56.62 0.2 1 660 . 63 PHE CB C 39.36 0.2 1 661 . 63 PHE CD1 C 131.83 0.2 1 662 . 63 PHE CD2 C 131.83 0.2 1 663 . 63 PHE CE1 C 130.43 0.2 1 664 . 63 PHE CE2 C 130.43 0.2 1 665 . 63 PHE CZ C 129.06 0.2 1 666 . 63 PHE N N 118.19 0.2 1 667 . 64 GLY H H 7.67 0.02 1 668 . 64 GLY HA2 H 3.94 0.02 1 669 . 64 GLY HA3 H 3.94 0.02 1 670 . 64 GLY CA C 45.66 0.2 1 671 . 64 GLY N N 111.30 0.2 1 672 . 65 ASP H H 8.27 0.02 1 673 . 65 ASP HA H 4.68 0.02 1 674 . 65 ASP HB2 H 2.73 0.02 2 675 . 65 ASP HB3 H 2.61 0.02 2 676 . 65 ASP CA C 53.96 0.2 1 677 . 65 ASP CB C 40.71 0.2 1 678 . 65 ASP N N 122.71 0.2 1 679 . 66 VAL H H 7.60 0.02 1 680 . 66 VAL HA H 4.04 0.02 1 681 . 66 VAL HB H 2.09 0.02 1 682 . 66 VAL HG1 H 0.86 0.02 2 683 . 66 VAL HG2 H 0.87 0.02 2 684 . 66 VAL CA C 63.39 0.2 1 685 . 66 VAL CB C 33.18 0.2 1 686 . 66 VAL CG1 C 20.08 0.2 2 687 . 66 VAL CG2 C 21.37 0.2 2 688 . 66 VAL N N 125.39 0.2 1 stop_ save_