data_17497 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SNX-17-PX-DOMAIN ; _BMRB_accession_number 17497 _BMRB_flat_file_name bmr17497.str _Entry_type original _Submission_date 2011-02-28 _Accession_date 2011-02-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Resonance assignment of SNX-17-PX domain.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mobli Mehdi . . 2 Ghai Rajesh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 456 "13C chemical shifts" 370 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-19 original author . stop_ _Original_release_date 2011-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Phox homology band 4.1/ezrin/radixin/moesin-like proteins function as molecular scaffolds that interact with cargo receptors and Ras GTPases.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21512128 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ghai Rajesh . . 2 Mobli Mehdi . . 3 Norwood Suzanne J. . 4 Bugarcic Andrea . . 5 Teasdale Rohan D. . 6 King Glenn F. . 7 Collins Brett M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7763 _Page_last 7768 _Year 2011 _Details . loop_ _Keyword 'Alzheimer s disease' 'Amyloid Precursor Protein' FERM px 'sorting nexin' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SNX17-PX _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SNX17-PX $SNX17-PX stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SNX17-PX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SNX17-PX _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; NAMHFSIPETESRSGDSGGS AYVAYNIHVNGVLHCRVRYS QLLGLHEQLRKEYGANVLPA FPPKKLFSLTPAEVEQRREQ LEKYMQAVRQDPLLGSSETF NSFLRRAQQETQ ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 ALA 3 MET 4 HIS 5 PHE 6 SER 7 ILE 8 PRO 9 GLU 10 THR 11 GLU 12 SER 13 ARG 14 SER 15 GLY 16 ASP 17 SER 18 GLY 19 GLY 20 SER 21 ALA 22 TYR 23 VAL 24 ALA 25 TYR 26 ASN 27 ILE 28 HIS 29 VAL 30 ASN 31 GLY 32 VAL 33 LEU 34 HIS 35 CYS 36 ARG 37 VAL 38 ARG 39 TYR 40 SER 41 GLN 42 LEU 43 LEU 44 GLY 45 LEU 46 HIS 47 GLU 48 GLN 49 LEU 50 ARG 51 LYS 52 GLU 53 TYR 54 GLY 55 ALA 56 ASN 57 VAL 58 LEU 59 PRO 60 ALA 61 PHE 62 PRO 63 PRO 64 LYS 65 LYS 66 LEU 67 PHE 68 SER 69 LEU 70 THR 71 PRO 72 ALA 73 GLU 74 VAL 75 GLU 76 GLN 77 ARG 78 ARG 79 GLU 80 GLN 81 LEU 82 GLU 83 LYS 84 TYR 85 MET 86 GLN 87 ALA 88 VAL 89 ARG 90 GLN 91 ASP 92 PRO 93 LEU 94 LEU 95 GLY 96 SER 97 SER 98 GLU 99 THR 100 PHE 101 ASN 102 SER 103 PHE 104 LEU 105 ARG 106 ARG 107 ALA 108 GLN 109 GLN 110 GLU 111 THR 112 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 3FOG "Crystal Structure Of The Px Domain Of Sorting Nexin-17 (Snx17)" 98.21 115 98.18 98.18 7.73e-73 PDB 3LUI "Crystal Structure Of The Snx17 Px Domain With Bound Sulphate" 100.00 115 100.00 100.00 3.88e-76 DBJ BAA06542 "KIAA0064 [Homo sapiens]" 98.21 495 100.00 100.00 7.49e-71 DBJ BAC36927 "unnamed protein product [Mus musculus]" 98.21 470 99.09 100.00 5.84e-71 DBJ BAC37004 "unnamed protein product [Mus musculus]" 98.21 470 99.09 100.00 6.23e-71 DBJ BAD96263 "sorting nexin 17 variant [Homo sapiens]" 98.21 470 100.00 100.00 2.41e-71 DBJ BAE33663 "unnamed protein product [Mus musculus]" 98.21 470 99.09 100.00 5.84e-71 EMBL CAC12897 "KIAA0064 protein [Homo sapiens]" 98.21 470 100.00 100.00 2.46e-71 EMBL CAG33362 "SNX17 [Homo sapiens]" 98.21 470 100.00 100.00 2.46e-71 EMBL CAH93411 "hypothetical protein [Pongo abelii]" 98.21 470 99.09 99.09 3.83e-70 GB AAH02524 "Sorting nexin 17 [Homo sapiens]" 98.21 470 100.00 100.00 2.46e-71 GB AAH02610 "Sorting nexin 17 [Homo sapiens]" 98.21 470 100.00 100.00 2.46e-71 GB AAH14620 "Sorting nexin 17 [Homo sapiens]" 98.21 470 100.00 100.00 2.46e-71 GB AAH23732 "Sorting nexin 17 [Mus musculus]" 98.21 470 99.09 100.00 5.84e-71 GB AAH26571 "Sorting nexin 17 [Mus musculus]" 98.21 470 99.09 100.00 5.84e-71 REF NP_001011981 "sorting nexin-17 [Rattus norvegicus]" 98.21 470 99.09 99.09 1.21e-70 REF NP_001015638 "sorting nexin-17 [Bos taurus]" 98.21 470 100.00 100.00 3.28e-71 REF NP_001127002 "sorting nexin-17 [Pongo abelii]" 98.21 470 99.09 99.09 3.83e-70 REF NP_001252904 "sorting nexin-17 [Macaca mulatta]" 98.21 470 100.00 100.00 2.28e-71 REF NP_001253990 "sorting nexin-17 isoform 4 [Homo sapiens]" 80.36 450 98.89 100.00 7.86e-55 SP Q15036 "RecName: Full=Sorting nexin-17" 98.21 470 100.00 100.00 2.46e-71 SP Q5EA77 "RecName: Full=Sorting nexin-17" 98.21 470 100.00 100.00 3.28e-71 SP Q5R4A5 "RecName: Full=Sorting nexin-17" 98.21 470 99.09 99.09 3.83e-70 SP Q6AYS6 "RecName: Full=Sorting nexin-17" 98.21 470 99.09 99.09 1.21e-70 SP Q8BVL3 "RecName: Full=Sorting nexin-17" 98.21 470 99.09 100.00 5.84e-71 TPG DAA24411 "TPA: sorting nexin-17 [Bos taurus]" 98.21 470 100.00 100.00 3.28e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SNX17-PX 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 $SNX17-PX 'recombinant technology' . Escherichia coli . pGEX4T-2 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 $SNX17-PX 0.8 mM '[U-100% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' HEPES 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'Lithium Sulphate' 10 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 95 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Rowland_NMR_Toolkit _Saveframe_category software _Name 'Rowland NMR Toolkit' _Version . loop_ _Vendor _Address _Electronic_address 'J. C. Hoch & A. S. Stern' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.777 internal direct . . . 1.000000000 water N 15 protons ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SNX17-PX _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASN HA H 4.760 0.020 1 2 1 1 ASN HB2 H 2.833 0.020 2 3 1 1 ASN HB3 H 2.757 0.020 2 4 1 1 ASN C C 174.145 0.400 1 5 1 1 ASN CA C 53.266 0.400 1 6 1 1 ASN CB C 39.039 0.400 1 7 2 2 ALA H H 8.366 0.020 1 8 2 2 ALA HA H 4.265 0.020 1 9 2 2 ALA HB H 1.312 0.020 1 10 2 2 ALA C C 176.760 0.400 1 11 2 2 ALA CA C 52.631 0.400 1 12 2 2 ALA CB C 19.195 0.400 1 13 2 2 ALA N N 124.797 0.400 1 14 3 3 MET H H 8.352 0.020 1 15 3 3 MET HA H 4.340 0.020 1 16 3 3 MET HB2 H 1.922 0.020 2 17 3 3 MET HB3 H 1.717 0.020 2 18 3 3 MET HG2 H 2.452 0.020 2 19 3 3 MET HG3 H 2.248 0.020 2 20 3 3 MET C C 173.773 0.400 1 21 3 3 MET CA C 55.424 0.400 1 22 3 3 MET CB C 34.482 0.400 1 23 3 3 MET CG C 32.084 0.400 1 24 3 3 MET N N 120.351 0.400 1 25 4 4 HIS H H 8.469 0.020 1 26 4 4 HIS HA H 4.976 0.020 1 27 4 4 HIS HB2 H 3.261 0.020 2 28 4 4 HIS HB3 H 3.156 0.020 2 29 4 4 HIS C C 174.887 0.400 1 30 4 4 HIS CA C 55.452 0.400 1 31 4 4 HIS CB C 30.120 0.400 1 32 4 4 HIS N N 121.916 0.400 1 33 5 5 PHE H H 9.162 0.020 1 34 5 5 PHE HA H 5.294 0.020 1 35 5 5 PHE HB2 H 3.014 0.020 2 36 5 5 PHE HB3 H 2.808 0.020 2 37 5 5 PHE C C 174.301 0.400 1 38 5 5 PHE CA C 58.248 0.400 1 39 5 5 PHE CB C 41.823 0.400 1 40 5 5 PHE N N 128.875 0.400 1 41 6 6 SER H H 9.157 0.020 1 42 6 6 SER HA H 4.685 0.020 1 43 6 6 SER HB2 H 3.893 0.020 2 44 6 6 SER HB3 H 3.835 0.020 2 45 6 6 SER C C 172.250 0.400 1 46 6 6 SER CA C 57.010 0.400 1 47 6 6 SER CB C 66.515 0.400 1 48 6 6 SER N N 114.849 0.400 1 49 7 7 ILE H H 10.330 0.020 1 50 7 7 ILE N N 119.048 0.400 1 51 8 8 PRO HA H 4.515 0.020 1 52 8 8 PRO HB2 H 2.135 0.020 2 53 8 8 PRO HG2 H 1.874 0.020 2 54 8 8 PRO HD2 H 4.435 0.020 2 55 8 8 PRO C C 176.236 0.400 1 56 8 8 PRO CA C 64.191 0.400 1 57 8 8 PRO CB C 32.601 0.400 1 58 8 8 PRO CG C 25.743 0.400 1 59 9 9 GLU H H 7.010 0.020 1 60 9 9 GLU HA H 4.881 0.020 1 61 9 9 GLU HB2 H 2.000 0.020 2 62 9 9 GLU HG2 H 2.150 0.020 2 63 9 9 GLU HG3 H 2.217 0.020 2 64 9 9 GLU C C 173.249 0.400 1 65 9 9 GLU CA C 54.501 0.400 1 66 9 9 GLU CB C 34.556 0.400 1 67 9 9 GLU CG C 35.435 0.400 1 68 9 9 GLU N N 113.129 0.400 1 69 10 10 THR H H 8.125 0.020 1 70 10 10 THR HA H 4.939 0.020 1 71 10 10 THR HB H 3.813 0.020 1 72 10 10 THR C C 172.923 0.400 1 73 10 10 THR CA C 59.182 0.400 1 74 10 10 THR CB C 71.539 0.400 1 75 10 10 THR CG2 C 22.781 0.400 1 76 10 10 THR N N 110.523 0.400 1 77 11 11 GLU H H 8.800 0.020 1 78 11 11 GLU HA H 4.600 0.020 1 79 11 11 GLU HB2 H 2.120 0.020 2 80 11 11 GLU HB3 H 1.960 0.020 2 81 11 11 GLU HG2 H 1.750 0.020 2 82 11 11 GLU C C 174.299 0.400 1 83 11 11 GLU CA C 55.059 0.400 1 84 11 11 GLU CB C 33.899 0.400 1 85 11 11 GLU CG C 36.068 0.400 1 86 11 11 GLU N N 118.000 0.400 1 87 12 12 SER H H 8.645 0.020 1 88 12 12 SER HB2 H 3.734 0.020 2 89 12 12 SER HB3 H 3.661 0.020 2 90 12 12 SER C C 173.768 0.400 1 91 12 12 SER CA C 57.613 0.400 1 92 12 12 SER CB C 63.086 0.400 1 93 12 12 SER N N 119.250 0.400 1 94 13 13 ARG H H 8.631 0.020 1 95 13 13 ARG HA H 4.502 0.020 1 96 13 13 ARG HB2 H 0.718 0.020 2 97 13 13 ARG HG2 H 1.532 0.020 2 98 13 13 ARG HG3 H 1.327 0.020 2 99 13 13 ARG HD2 H 3.048 0.020 2 100 13 13 ARG C C 174.594 0.400 1 101 13 13 ARG CA C 53.887 0.400 1 102 13 13 ARG CB C 32.003 0.400 1 103 13 13 ARG CG C 26.892 0.400 1 104 13 13 ARG CD C 42.776 0.400 1 105 13 13 ARG N N 126.241 0.400 1 106 14 14 SER H H 8.359 0.020 1 107 14 14 SER HB2 H 3.851 0.020 2 108 14 14 SER C C 174.476 0.400 1 109 14 14 SER CA C 58.243 0.400 1 110 14 14 SER CB C 64.200 0.400 1 111 14 14 SER N N 115.426 0.400 1 112 15 15 GLY H H 8.396 0.020 1 113 15 15 GLY HA2 H 3.985 0.020 2 114 15 15 GLY HA3 H 3.921 0.020 2 115 15 15 GLY C C 173.593 0.400 1 116 15 15 GLY CA C 45.456 0.400 1 117 15 15 GLY N N 109.928 0.400 1 118 16 16 ASP H H 8.219 0.020 1 119 16 16 ASP HB2 H 2.735 0.020 2 120 16 16 ASP HB3 H 2.669 0.020 2 121 16 16 ASP C C 176.233 0.400 1 122 16 16 ASP CA C 54.358 0.400 1 123 16 16 ASP CB C 41.529 0.400 1 124 16 16 ASP CG C 40.690 0.400 1 125 16 16 ASP N N 120.549 0.400 1 126 17 17 SER H H 8.388 0.020 1 127 17 17 SER HB2 H 3.953 0.020 2 128 17 17 SER HB3 H 3.888 0.020 2 129 17 17 SER C C 174.832 0.400 1 130 17 17 SER CA C 62.691 0.400 1 131 17 17 SER CB C 63.552 0.400 1 132 17 17 SER N N 116.499 0.400 1 133 18 18 GLY H H 8.484 0.020 1 134 18 18 GLY HA2 H 4.116 0.020 2 135 18 18 GLY HA3 H 3.904 0.020 2 136 18 18 GLY C C 174.534 0.400 1 137 18 18 GLY CA C 45.464 0.400 1 138 18 18 GLY N N 110.678 0.400 1 139 19 19 GLY H H 8.102 0.020 1 140 19 19 GLY HA2 H 4.157 0.020 2 141 19 19 GLY HA3 H 4.014 0.020 2 142 19 19 GLY C C 173.339 0.400 1 143 19 19 GLY CA C 44.982 0.400 1 144 19 19 GLY N N 108.826 0.400 1 145 20 20 SER H H 8.241 0.020 1 146 20 20 SER HA H 3.981 0.020 1 147 20 20 SER HB2 H 3.929 0.020 2 148 20 20 SER HB3 H 3.843 0.020 2 149 20 20 SER C C 173.594 0.400 1 150 20 20 SER CA C 58.066 0.400 1 151 20 20 SER CB C 64.381 0.400 1 152 20 20 SER N N 115.350 0.400 1 153 21 21 ALA H H 8.381 0.020 1 154 21 21 ALA HA H 4.648 0.020 1 155 21 21 ALA HB H 1.344 0.020 1 156 21 21 ALA C C 176.762 0.400 1 157 21 21 ALA CA C 52.468 0.400 1 158 21 21 ALA CB C 19.960 0.400 1 159 21 21 ALA N N 125.816 0.400 1 160 22 22 TYR H H 8.454 0.020 1 161 22 22 TYR HA H 5.055 0.020 1 162 22 22 TYR HB2 H 3.069 0.020 2 163 22 22 TYR C C 172.484 0.400 1 164 22 22 TYR CB C 45.281 0.400 1 165 22 22 TYR N N 117.842 0.400 1 166 23 23 VAL H H 8.564 0.020 1 167 23 23 VAL HA H 4.358 0.020 1 168 23 23 VAL HB H 1.985 0.020 1 169 23 23 VAL HG1 H 0.936 0.020 2 170 23 23 VAL HG2 H 0.484 0.020 2 171 23 23 VAL C C 174.243 0.400 1 172 23 23 VAL CA C 62.132 0.400 1 173 23 23 VAL CB C 33.262 0.400 1 174 23 23 VAL CG1 C 21.842 0.400 1 175 23 23 VAL CG2 C 20.910 0.400 1 176 23 23 VAL N N 120.775 0.400 1 177 24 24 ALA H H 9.055 0.020 1 178 24 24 ALA HA H 5.000 0.020 1 179 24 24 ALA HB H 1.279 0.020 1 180 24 24 ALA C C 174.184 0.400 1 181 24 24 ALA CA C 49.492 0.400 1 182 24 24 ALA CB C 21.839 0.400 1 183 24 24 ALA N N 129.583 0.400 1 184 25 25 TYR H H 9.495 0.020 1 185 25 25 TYR HA H 4.203 0.020 1 186 25 25 TYR HB2 H 2.968 0.020 2 187 25 25 TYR HB3 H 2.827 0.020 2 188 25 25 TYR C C 174.116 0.400 1 189 25 25 TYR CA C 58.299 0.400 1 190 25 25 TYR CB C 38.715 0.400 1 191 25 25 TYR N N 119.742 0.400 1 192 26 26 ASN H H 7.803 0.020 1 193 26 26 ASN HB2 H 3.046 0.020 2 194 26 26 ASN HB3 H 2.530 0.020 2 195 26 26 ASN CB C 37.767 0.400 1 196 26 26 ASN N N 123.976 0.400 1 197 27 27 ILE H H 9.077 0.020 1 198 27 27 ILE HB H 2.696 0.020 1 199 27 27 ILE HG2 H 0.984 0.020 1 200 27 27 ILE C C 176.233 0.400 1 201 27 27 ILE CA C 61.987 0.400 1 202 27 27 ILE CB C 36.903 0.400 1 203 27 27 ILE CG1 C 17.573 0.400 1 204 27 27 ILE N N 124.853 0.400 1 205 28 28 HIS H H 10.118 0.020 1 206 28 28 HIS HA H 5.306 0.020 1 207 28 28 HIS HB2 H 2.406 0.020 2 208 28 28 HIS C C 174.006 0.400 1 209 28 28 HIS CA C 55.023 0.400 1 210 28 28 HIS CB C 36.062 0.400 1 211 28 28 HIS CD2 C 34.022 0.400 1 212 28 28 HIS N N 130.801 0.400 1 213 29 29 VAL H H 8.675 0.020 1 214 29 29 VAL HA H 4.366 0.020 1 215 29 29 VAL HB H 1.625 0.020 1 216 29 29 VAL HG1 H 0.064 0.020 2 217 29 29 VAL HG2 H 0.564 0.020 2 218 29 29 VAL C C 176.118 0.400 1 219 29 29 VAL CA C 61.043 0.400 1 220 29 29 VAL CB C 33.869 0.400 1 221 29 29 VAL CG1 C 21.361 0.400 1 222 29 29 VAL N N 119.473 0.400 1 223 30 30 ASN H H 9.503 0.020 1 224 30 30 ASN HA H 4.534 0.020 1 225 30 30 ASN HB2 H 3.130 0.020 2 226 30 30 ASN HB3 H 2.985 0.020 2 227 30 30 ASN C C 175.121 0.400 1 228 30 30 ASN CA C 54.330 0.400 1 229 30 30 ASN CB C 36.695 0.400 1 230 30 30 ASN N N 126.638 0.400 1 231 31 31 GLY H H 8.740 0.020 1 232 31 31 GLY HA2 H 4.212 0.020 2 233 31 31 GLY HA3 H 3.796 0.020 2 234 31 31 GLY C C 173.243 0.400 1 235 31 31 GLY CA C 45.746 0.400 1 236 31 31 GLY N N 130.829 0.400 1 237 32 32 VAL H H 7.538 0.020 1 238 32 32 VAL C C 174.299 0.400 1 239 32 32 VAL N N 119.593 0.400 1 240 33 33 LEU H H 7.223 0.020 1 241 33 33 LEU HA H 4.123 0.020 1 242 33 33 LEU HB2 H 3.993 0.020 2 243 33 33 LEU HB3 H 3.890 0.020 2 244 33 33 LEU C C 174.475 0.400 1 245 33 33 LEU CB C 45.583 0.400 1 246 33 33 LEU N N 112.757 0.400 1 247 34 34 HIS H H 8.263 0.020 1 248 34 34 HIS HA H 4.640 0.020 1 249 34 34 HIS HB2 H 3.110 0.020 2 250 34 34 HIS HB3 H 2.925 0.020 2 251 34 34 HIS C C 174.501 0.400 1 252 34 34 HIS CA C 58.373 0.400 1 253 34 34 HIS CB C 34.860 0.400 1 254 34 34 HIS N N 108.739 0.400 1 255 35 35 CYS H H 8.168 0.020 1 256 35 35 CYS HA H 4.891 0.020 1 257 35 35 CYS HB2 H 2.828 0.020 2 258 35 35 CYS HB3 H 2.460 0.020 2 259 35 35 CYS C C 169.961 0.400 1 260 35 35 CYS CA C 55.200 0.400 1 261 35 35 CYS CB C 30.199 0.400 1 262 35 35 CYS N N 108.297 0.400 1 263 36 36 ARG H H 8.256 0.020 1 264 36 36 ARG HA H 5.547 0.020 1 265 36 36 ARG HB2 H 1.697 0.020 2 266 36 36 ARG HB3 H 1.547 0.020 2 267 36 36 ARG HD2 H 3.061 0.020 2 268 36 36 ARG C C 175.649 0.400 1 269 36 36 ARG CA C 54.995 0.400 1 270 36 36 ARG CB C 32.496 0.400 1 271 36 36 ARG CG C 28.083 0.400 1 272 36 36 ARG CD C 43.419 0.400 1 273 36 36 ARG N N 121.767 0.400 1 274 37 37 VAL H H 8.908 0.020 1 275 37 37 VAL HA H 5.352 0.020 1 276 37 37 VAL HB H 2.391 0.020 1 277 37 37 VAL HG1 H 1.046 0.020 2 278 37 37 VAL HG2 H 1.133 0.020 2 279 37 37 VAL C C 174.361 0.400 1 280 37 37 VAL CA C 58.503 0.400 1 281 37 37 VAL CB C 37.027 0.400 1 282 37 37 VAL CG1 C 23.127 0.400 1 283 37 37 VAL CG2 C 19.489 0.400 1 284 37 37 VAL N N 115.166 0.400 1 285 38 38 ARG H H 8.975 0.020 1 286 38 38 ARG HA H 5.444 0.020 1 287 38 38 ARG HB2 H 2.578 0.020 2 288 38 38 ARG HG2 H 2.139 0.020 2 289 38 38 ARG C C 177.463 0.400 1 290 38 38 ARG CA C 44.245 0.400 1 291 38 38 ARG CG C 26.072 0.400 1 292 38 38 ARG N N 119.791 0.400 1 293 39 39 TYR H H 10.301 0.020 1 294 39 39 TYR HA H 4.009 0.020 1 295 39 39 TYR HB2 H 3.640 0.020 2 296 39 39 TYR HB3 H 3.149 0.020 2 297 39 39 TYR C C 176.996 0.400 1 298 39 39 TYR CA C 63.557 0.400 1 299 39 39 TYR CB C 38.701 0.400 1 300 39 39 TYR N N 125.114 0.400 1 301 40 40 SER H H 9.466 0.020 1 302 40 40 SER HA H 4.783 0.020 1 303 40 40 SER HB2 H 3.903 0.020 2 304 40 40 SER C C 177.228 0.400 1 305 40 40 SER CB C 62.138 0.400 1 306 40 40 SER N N 113.198 0.400 1 307 41 41 GLN H H 7.281 0.020 1 308 41 41 GLN HA H 4.374 0.020 1 309 41 41 GLN HB2 H 2.718 0.020 2 310 41 41 GLN HB3 H 2.407 0.020 2 311 41 41 GLN C C 178.633 0.400 1 312 41 41 GLN CA C 58.562 0.400 1 313 41 41 GLN CB C 30.270 0.400 1 314 41 41 GLN CG C 35.881 0.400 1 315 41 41 GLN N N 121.545 0.400 1 316 42 42 LEU H H 7.472 0.020 1 317 42 42 LEU HA H 3.944 0.020 1 318 42 42 LEU HB2 H 2.000 0.020 2 319 42 42 LEU HG H 1.425 0.020 1 320 42 42 LEU HD1 H 0.999 0.020 2 321 42 42 LEU HD2 H 0.921 0.020 2 322 42 42 LEU C C 176.263 0.400 1 323 42 42 LEU CA C 57.455 0.400 1 324 42 42 LEU CB C 41.202 0.400 1 325 42 42 LEU CG C 27.320 0.400 1 326 42 42 LEU N N 121.710 0.400 1 327 43 43 LEU H H 8.557 0.020 1 328 43 43 LEU HA H 3.079 0.020 1 329 43 43 LEU HB2 H 1.547 0.020 2 330 43 43 LEU HB3 H 1.360 0.020 2 331 43 43 LEU HG H 0.939 0.020 1 332 43 43 LEU HD1 H 0.844 0.020 2 333 43 43 LEU HD2 H 0.783 0.020 2 334 43 43 LEU C C 177.640 0.400 1 335 43 43 LEU CA C 57.179 0.400 1 336 43 43 LEU CB C 40.636 0.400 1 337 43 43 LEU CG C 26.189 0.400 1 338 43 43 LEU N N 121.944 0.400 1 339 44 44 GLY H H 7.397 0.020 1 340 44 44 GLY HA2 H 3.827 0.020 2 341 44 44 GLY HA3 H 3.750 0.020 2 342 44 44 GLY C C 176.062 0.400 1 343 44 44 GLY CA C 46.998 0.400 1 344 44 44 GLY N N 104.837 0.400 1 345 45 45 LEU H H 7.097 0.020 1 346 45 45 LEU HA H 4.046 0.020 1 347 45 45 LEU HB2 H 1.875 0.020 2 348 45 45 LEU HG H 1.451 0.020 1 349 45 45 LEU HD1 H 0.783 0.020 2 350 45 45 LEU HD2 H 0.572 0.020 2 351 45 45 LEU C C 176.468 0.400 1 352 45 45 LEU CA C 57.988 0.400 1 353 45 45 LEU CB C 39.818 0.400 1 354 45 45 LEU N N 123.976 0.400 1 355 46 46 HIS H H 8.029 0.020 1 356 46 46 HIS HA H 4.087 0.020 1 357 46 46 HIS HB2 H 2.343 0.020 2 358 46 46 HIS HB3 H 2.093 0.020 2 359 46 46 HIS C C 177.112 0.400 1 360 46 46 HIS CA C 60.424 0.400 1 361 46 46 HIS CB C 30.433 0.400 1 362 46 46 HIS CD2 C 29.486 0.400 1 363 46 46 HIS N N 120.662 0.400 1 364 47 47 GLU H H 8.418 0.020 1 365 47 47 GLU HA H 3.730 0.020 1 366 47 47 GLU HB2 H 2.011 0.020 2 367 47 47 GLU HB3 H 1.900 0.020 2 368 47 47 GLU HG2 H 2.407 0.020 2 369 47 47 GLU HG3 H 2.139 0.020 2 370 47 47 GLU C C 179.280 0.400 1 371 47 47 GLU CA C 59.021 0.400 1 372 47 47 GLU CB C 29.265 0.400 1 373 47 47 GLU CG C 36.664 0.400 1 374 47 47 GLU N N 115.010 0.400 1 375 48 48 GLN H H 7.933 0.020 1 376 48 48 GLN HA H 4.032 0.020 1 377 48 48 GLN HB2 H 2.273 0.020 2 378 48 48 GLN HB3 H 2.066 0.020 2 379 48 48 GLN HG2 H 2.529 0.020 2 380 48 48 GLN HG3 H 2.438 0.020 2 381 48 48 GLN C C 178.634 0.400 1 382 48 48 GLN CA C 59.195 0.400 1 383 48 48 GLN CB C 28.167 0.400 1 384 48 48 GLN CG C 34.021 0.400 1 385 48 48 GLN N N 121.305 0.400 1 386 49 49 LEU H H 8.747 0.020 1 387 49 49 LEU HA H 4.203 0.020 1 388 49 49 LEU HB2 H 2.141 0.020 2 389 49 49 LEU HB3 H 2.063 0.020 2 390 49 49 LEU HG H 1.323 0.020 1 391 49 49 LEU HD1 H 0.964 0.020 2 392 49 49 LEU HD2 H 0.882 0.020 2 393 49 49 LEU C C 178.604 0.400 1 394 49 49 LEU CA C 58.101 0.400 1 395 49 49 LEU CB C 42.000 0.400 1 396 49 49 LEU CG C 25.904 0.400 1 397 49 49 LEU N N 120.209 0.400 1 398 50 50 ARG H H 8.660 0.020 1 399 50 50 ARG C C 178.639 0.400 1 400 50 50 ARG N N 120.351 0.400 1 401 51 51 LYS H H 7.485 0.020 1 402 51 51 LYS HA H 3.921 0.020 1 403 51 51 LYS HB2 H 2.061 0.020 2 404 51 51 LYS HB3 H 1.921 0.020 2 405 51 51 LYS HG2 H 1.375 0.020 2 406 51 51 LYS HD2 H 1.668 0.020 2 407 51 51 LYS HD3 H 1.530 0.020 2 408 51 51 LYS C C 177.455 0.400 1 409 51 51 LYS CA C 59.203 0.400 1 410 51 51 LYS CB C 32.616 0.400 1 411 51 51 LYS CG C 25.147 0.400 1 412 51 51 LYS CD C 29.530 0.400 1 413 51 51 LYS N N 114.418 0.400 1 414 52 52 GLU H H 7.670 0.020 1 415 52 52 GLU HA H 3.875 0.020 1 416 52 52 GLU HB2 H 1.703 0.020 2 417 52 52 GLU HB3 H 1.357 0.020 2 418 52 52 GLU HG2 H 2.030 0.020 2 419 52 52 GLU HG3 H 1.781 0.020 2 420 52 52 GLU C C 177.522 0.400 1 421 52 52 GLU CA C 58.562 0.400 1 422 52 52 GLU CB C 31.290 0.400 1 423 52 52 GLU CG C 35.656 0.400 1 424 52 52 GLU N N 117.547 0.400 1 425 53 53 TYR H H 8.566 0.020 1 426 53 53 TYR HA H 4.639 0.020 1 427 53 53 TYR HB2 H 3.142 0.020 2 428 53 53 TYR HB3 H 2.564 0.020 2 429 53 53 TYR C C 175.766 0.400 1 430 53 53 TYR CA C 59.032 0.400 1 431 53 53 TYR CB C 40.024 0.400 1 432 53 53 TYR N N 114.840 0.400 1 433 54 54 GLY H H 7.735 0.020 1 434 54 54 GLY HA2 H 4.453 0.020 2 435 54 54 GLY HA3 H 3.845 0.020 2 436 54 54 GLY C C 172.541 0.400 1 437 54 54 GLY CA C 44.651 0.400 1 438 54 54 GLY N N 109.288 0.400 1 439 55 55 ALA H H 8.377 0.020 1 440 55 55 ALA HA H 4.015 0.020 1 441 55 55 ALA HB H 1.422 0.020 1 442 55 55 ALA C C 179.262 0.400 1 443 55 55 ALA CA C 54.182 0.400 1 444 55 55 ALA CB C 19.275 0.400 1 445 55 55 ALA N N 119.897 0.400 1 446 56 56 ASN H H 8.500 0.020 1 447 56 56 ASN HA H 4.577 0.020 1 448 56 56 ASN HB2 H 2.864 0.020 2 449 56 56 ASN C C 175.471 0.400 1 450 56 56 ASN CA C 55.290 0.400 1 451 56 56 ASN CB C 38.015 0.400 1 452 56 56 ASN N N 113.377 0.400 1 453 57 57 VAL H H 7.267 0.020 1 454 57 57 VAL HA H 4.323 0.020 1 455 57 57 VAL HB H 2.295 0.020 1 456 57 57 VAL HG1 H 0.889 0.020 2 457 57 57 VAL HG2 H 0.889 0.020 2 458 57 57 VAL C C 174.769 0.400 1 459 57 57 VAL CA C 61.374 0.400 1 460 57 57 VAL CB C 32.000 0.400 1 461 57 57 VAL CG1 C 19.825 0.400 1 462 57 57 VAL CG2 C 21.232 0.400 1 463 57 57 VAL N N 112.401 0.400 1 464 58 58 LEU H H 7.201 0.020 1 465 58 58 LEU N N 121.908 0.400 1 466 59 59 PRO HA H 4.032 0.020 1 467 59 59 PRO HG2 H 1.839 0.020 2 468 59 59 PRO HG3 H 1.514 0.020 2 469 59 59 PRO HD2 H 3.210 0.020 2 470 59 59 PRO C C 177.995 0.400 1 471 59 59 PRO CA C 59.150 0.400 1 472 59 59 PRO CB C 29.637 0.400 1 473 59 59 PRO CG C 27.470 0.400 1 474 60 60 ALA H H 8.175 0.020 1 475 60 60 ALA HA H 4.203 0.020 1 476 60 60 ALA HB H 1.311 0.020 1 477 60 60 ALA C C 175.940 0.400 1 478 60 60 ALA CA C 52.839 0.400 1 479 60 60 ALA CB C 18.680 0.400 1 480 60 60 ALA N N 121.177 0.400 1 481 61 61 PHE H H 8.447 0.020 1 482 61 61 PHE N N 127.657 0.400 1 483 63 63 PRO HA H 4.531 0.020 1 484 63 63 PRO HB2 H 1.994 0.020 2 485 63 63 PRO HG2 H 1.812 0.020 2 486 63 63 PRO HD2 H 2.323 0.020 2 487 63 63 PRO C C 176.235 0.400 1 488 63 63 PRO CA C 62.635 0.400 1 489 63 63 PRO CB C 33.123 0.400 1 490 63 63 PRO CG C 27.306 0.400 1 491 64 64 LYS H H 8.359 0.020 1 492 64 64 LYS HA H 3.875 0.020 1 493 64 64 LYS HB2 H 1.828 0.020 2 494 64 64 LYS HB3 H 1.733 0.020 2 495 64 64 LYS HG2 H 1.616 0.020 2 496 64 64 LYS HG3 H 1.530 0.020 2 497 64 64 LYS HE2 H 3.799 0.020 2 498 64 64 LYS C C 175.414 0.400 1 499 64 64 LYS CA C 57.152 0.400 1 500 64 64 LYS CB C 33.567 0.400 1 501 64 64 LYS CG C 25.415 0.400 1 502 64 64 LYS N N 121.398 0.400 1 503 65 65 LYS H H 8.051 0.020 1 504 65 65 LYS HA H 4.500 0.020 1 505 65 65 LYS HB2 H 1.735 0.020 2 506 65 65 LYS HG2 H 1.268 0.020 2 507 65 65 LYS HD2 H 1.494 0.020 2 508 65 65 LYS C C 175.592 0.400 1 509 65 65 LYS CA C 54.759 0.400 1 510 65 65 LYS CB C 35.062 0.400 1 511 65 65 LYS CG C 25.106 0.400 1 512 65 65 LYS N N 122.475 0.400 1 513 66 66 LEU H H 8.557 0.020 1 514 66 66 LEU HA H 4.158 0.020 1 515 66 66 LEU HB2 H 1.443 0.020 2 516 66 66 LEU HB3 H 1.343 0.020 2 517 66 66 LEU HG H 1.218 0.020 1 518 66 66 LEU HD1 H 0.844 0.020 2 519 66 66 LEU HD2 H 0.742 0.020 2 520 66 66 LEU C C 175.874 0.400 1 521 66 66 LEU CA C 55.734 0.400 1 522 66 66 LEU CB C 42.017 0.400 1 523 66 66 LEU CG C 23.093 0.400 1 524 66 66 LEU CD1 C 26.987 0.400 1 525 66 66 LEU CD2 C 24.659 0.400 1 526 66 66 LEU N N 123.169 0.400 1 527 67 67 PHE H H 7.434 0.020 1 528 67 67 PHE HA H 3.376 0.020 1 529 67 67 PHE HB2 H 2.953 0.020 2 530 67 67 PHE C C 174.710 0.400 1 531 67 67 PHE CA C 55.742 0.400 1 532 67 67 PHE CB C 40.909 0.400 1 533 67 67 PHE N N 116.536 0.400 1 534 68 68 SER H H 8.396 0.020 1 535 68 68 SER HB2 H 3.921 0.020 2 536 68 68 SER HB3 H 3.835 0.020 2 537 68 68 SER C C 174.476 0.400 1 538 68 68 SER CA C 59.211 0.400 1 539 68 68 SER CB C 63.206 0.400 1 540 68 68 SER N N 115.556 0.400 1 541 69 69 LEU H H 8.412 0.020 1 542 69 69 LEU HA H 4.560 0.020 1 543 69 69 LEU HB2 H 1.827 0.020 2 544 69 69 LEU HB3 H 1.700 0.020 2 545 69 69 LEU HG H 1.476 0.020 1 546 69 69 LEU HD1 H 0.860 0.020 2 547 69 69 LEU HD2 H 0.631 0.020 2 548 69 69 LEU C C 178.170 0.400 1 549 69 69 LEU CA C 56.033 0.400 1 550 69 69 LEU CB C 42.947 0.400 1 551 69 69 LEU CD2 C 24.506 0.400 1 552 69 69 LEU N N 126.128 0.400 1 553 70 70 THR H H 9.056 0.020 1 554 70 70 THR N N 115.423 0.400 1 555 71 71 PRO HA H 4.202 0.020 1 556 71 71 PRO HB2 H 1.965 0.020 2 557 71 71 PRO HG2 H 1.365 0.020 2 558 71 71 PRO HD2 H 2.401 0.020 2 559 71 71 PRO C C 179.280 0.400 1 560 71 71 PRO CA C 66.478 0.400 1 561 71 71 PRO CB C 31.550 0.400 1 562 71 71 PRO CG C 28.245 0.400 1 563 72 72 ALA H H 8.315 0.020 1 564 72 72 ALA HA H 4.211 0.020 1 565 72 72 ALA HB H 1.422 0.020 1 566 72 72 ALA C C 180.596 0.400 1 567 72 72 ALA CA C 55.126 0.400 1 568 72 72 ALA CB C 18.256 0.400 1 569 72 72 ALA N N 119.771 0.400 1 570 73 73 GLU H H 7.758 0.020 1 571 73 73 GLU HA H 4.040 0.020 1 572 73 73 GLU HB2 H 2.170 0.020 2 573 73 73 GLU HB3 H 1.908 0.020 2 574 73 73 GLU HG2 H 2.508 0.020 2 575 73 73 GLU HG3 H 2.404 0.020 2 576 73 73 GLU C C 179.921 0.400 1 577 73 73 GLU CA C 58.935 0.400 1 578 73 73 GLU CB C 30.370 0.400 1 579 73 73 GLU CG C 37.946 0.400 1 580 73 73 GLU N N 119.572 0.400 1 581 74 74 VAL H H 8.699 0.020 1 582 74 74 VAL HA H 4.561 0.020 1 583 74 74 VAL HB H 2.312 0.020 1 584 74 74 VAL HG1 H 1.956 0.020 2 585 74 74 VAL HG2 H 1.734 0.020 2 586 74 74 VAL C C 174.884 0.400 1 587 74 74 VAL CA C 61.806 0.400 1 588 74 74 VAL CB C 31.542 0.400 1 589 74 74 VAL CG1 C 27.307 0.400 1 590 74 74 VAL CG2 C 62.781 0.400 1 591 74 74 VAL N N 124.089 0.400 1 592 75 75 GLU H H 8.153 0.020 1 593 75 75 GLU HA H 4.433 0.020 1 594 75 75 GLU HB2 H 2.156 0.020 2 595 75 75 GLU HB3 H 2.014 0.020 2 596 75 75 GLU HG2 H 2.483 0.020 2 597 75 75 GLU HG3 H 2.295 0.020 2 598 75 75 GLU C C 177.700 0.400 1 599 75 75 GLU CA C 58.237 0.400 1 600 75 75 GLU CB C 28.251 0.400 1 601 75 75 GLU CG C 34.978 0.400 1 602 75 75 GLU N N 121.555 0.400 1 603 76 76 GLN H H 7.677 0.020 1 604 76 76 GLN HA H 4.186 0.020 1 605 76 76 GLN HB2 H 2.296 0.020 2 606 76 76 GLN HB3 H 2.092 0.020 2 607 76 76 GLN HG2 H 2.514 0.020 2 608 76 76 GLN C C 177.584 0.400 1 609 76 76 GLN CA C 58.845 0.400 1 610 76 76 GLN CB C 28.553 0.400 1 611 76 76 GLN CG C 34.034 0.400 1 612 76 76 GLN N N 118.086 0.400 1 613 77 77 ARG H H 8.249 0.020 1 614 77 77 ARG HA H 3.937 0.020 1 615 77 77 ARG HB2 H 2.108 0.020 2 616 77 77 ARG HB3 H 1.890 0.020 2 617 77 77 ARG C C 176.938 0.400 1 618 77 77 ARG CA C 60.114 0.400 1 619 77 77 ARG CB C 30.916 0.400 1 620 77 77 ARG CG C 26.672 0.400 1 621 77 77 ARG N N 120.634 0.400 1 622 78 78 ARG H H 9.345 0.020 1 623 78 78 ARG HA H 3.750 0.020 1 624 78 78 ARG HD2 H 2.411 0.020 2 625 78 78 ARG C C 177.231 0.400 1 626 78 78 ARG CA C 60.753 0.400 1 627 78 78 ARG CB C 29.174 0.400 1 628 78 78 ARG N N 121.427 0.400 1 629 79 79 GLU H H 8.021 0.020 1 630 79 79 GLU HA H 3.874 0.020 1 631 79 79 GLU HG2 H 2.515 0.020 2 632 79 79 GLU HG3 H 2.234 0.020 2 633 79 79 GLU C C 178.930 0.400 1 634 79 79 GLU CA C 59.983 0.400 1 635 79 79 GLU CB C 29.681 0.400 1 636 79 79 GLU CG C 36.271 0.400 1 637 79 79 GLU N N 118.085 0.400 1 638 80 80 GLN H H 8.249 0.020 1 639 80 80 GLN HA H 3.999 0.020 1 640 80 80 GLN HB2 H 2.140 0.020 2 641 80 80 GLN HB3 H 1.843 0.020 2 642 80 80 GLN HG2 H 2.688 0.020 2 643 80 80 GLN HG3 H 2.391 0.020 2 644 80 80 GLN C C 179.868 0.400 1 645 80 80 GLN CA C 59.021 0.400 1 646 80 80 GLN CB C 28.674 0.400 1 647 80 80 GLN CG C 34.322 0.400 1 648 80 80 GLN N N 117.941 0.400 1 649 81 81 LEU H H 9.288 0.020 1 650 81 81 LEU HA H 3.875 0.020 1 651 81 81 LEU HB2 H 1.830 0.020 2 652 81 81 LEU HD1 H 0.841 0.020 2 653 81 81 LEU HD2 H 0.841 0.020 2 654 81 81 LEU C C 177.757 0.400 1 655 81 81 LEU CA C 57.423 0.400 1 656 81 81 LEU CB C 41.554 0.400 1 657 81 81 LEU CD1 C 24.190 0.400 1 658 81 81 LEU N N 122.446 0.400 1 659 82 82 GLU H H 8.605 0.020 1 660 82 82 GLU HA H 3.695 0.020 1 661 82 82 GLU HB2 H 2.146 0.020 2 662 82 82 GLU HG2 H 2.508 0.020 2 663 82 82 GLU C C 176.937 0.400 1 664 82 82 GLU CA C 61.056 0.400 1 665 82 82 GLU CB C 30.659 0.400 1 666 82 82 GLU CG C 38.377 0.400 1 667 82 82 GLU N N 122.519 0.400 1 668 83 83 LYS H H 7.911 0.020 1 669 83 83 LYS HA H 4.066 0.020 1 670 83 83 LYS HB2 H 2.151 0.020 2 671 83 83 LYS HB3 H 1.950 0.020 2 672 83 83 LYS HG2 H 1.188 0.020 2 673 83 83 LYS HD2 H 1.751 0.020 2 674 83 83 LYS HD3 H 1.594 0.020 2 675 83 83 LYS C C 173.891 0.400 1 676 83 83 LYS CA C 59.371 0.400 1 677 83 83 LYS CB C 32.377 0.400 1 678 83 83 LYS CG C 21.119 0.400 1 679 83 83 LYS CD C 25.741 0.400 1 680 83 83 LYS CE C 69.929 0.400 1 681 83 83 LYS N N 117.887 0.400 1 682 84 84 TYR H H 8.110 0.020 1 683 84 84 TYR HA H 4.062 0.020 1 684 84 84 TYR HB2 H 3.178 0.020 2 685 84 84 TYR HB3 H 3.077 0.020 2 686 84 84 TYR C C 175.649 0.400 1 687 84 84 TYR CA C 62.622 0.400 1 688 84 84 TYR CB C 38.414 0.400 1 689 84 84 TYR N N 121.566 0.400 1 690 85 85 MET H H 8.403 0.020 1 691 85 85 MET HA H 4.047 0.020 1 692 85 85 MET HB2 H 2.529 0.020 2 693 85 85 MET HB3 H 2.170 0.020 2 694 85 85 MET HG2 H 2.966 0.020 2 695 85 85 MET HE H 1.701 0.020 1 696 85 85 MET C C 177.992 0.400 1 697 85 85 MET CA C 57.157 0.400 1 698 85 85 MET CB C 33.573 0.400 1 699 85 85 MET CG C 30.921 0.400 1 700 85 85 MET N N 116.088 0.400 1 701 86 86 GLN H H 8.095 0.020 1 702 86 86 GLN HA H 4.054 0.020 1 703 86 86 GLN HB2 H 2.275 0.020 2 704 86 86 GLN HB3 H 1.985 0.020 2 705 86 86 GLN HG2 H 2.692 0.020 2 706 86 86 GLN HG3 H 2.692 0.020 2 707 86 86 GLN C C 177.933 0.400 1 708 86 86 GLN CA C 58.749 0.400 1 709 86 86 GLN CB C 27.876 0.400 1 710 86 86 GLN CG C 34.034 0.400 1 711 86 86 GLN N N 115.933 0.400 1 712 87 87 ALA H H 8.021 0.020 1 713 87 87 ALA HA H 4.030 0.020 1 714 87 87 ALA HB H 1.422 0.020 1 715 87 87 ALA C C 180.217 0.400 1 716 87 87 ALA CA C 54.905 0.400 1 717 87 87 ALA CB C 18.344 0.400 1 718 87 87 ALA N N 122.021 0.400 1 719 88 88 VAL H H 8.168 0.020 1 720 88 88 VAL HA H 3.015 0.020 1 721 88 88 VAL HB H 1.374 0.020 1 722 88 88 VAL HG1 H 0.173 0.020 2 723 88 88 VAL HG2 H -0.261 0.020 2 724 88 88 VAL C C 176.407 0.400 1 725 88 88 VAL CA C 67.077 0.400 1 726 88 88 VAL CB C 30.771 0.400 1 727 88 88 VAL CG1 C 21.044 0.400 1 728 88 88 VAL CG2 C 22.745 0.400 1 729 88 88 VAL N N 119.501 0.400 1 730 89 89 ARG H H 7.604 0.020 1 731 89 89 ARG HA H 3.656 0.020 1 732 89 89 ARG HB2 H 2.032 0.020 2 733 89 89 ARG HB3 H 1.733 0.020 2 734 89 89 ARG C C 176.936 0.400 1 735 89 89 ARG CA C 57.631 0.400 1 736 89 89 ARG CB C 29.492 0.400 1 737 89 89 ARG CG C 26.331 0.400 1 738 89 89 ARG N N 115.147 0.400 1 739 90 90 GLN H H 7.604 0.020 1 740 90 90 GLN HA H 4.062 0.020 1 741 90 90 GLN HB2 H 2.111 0.020 2 742 90 90 GLN HG2 H 2.519 0.020 2 743 90 90 GLN C C 175.237 0.400 1 744 90 90 GLN CA C 56.299 0.400 1 745 90 90 GLN CB C 29.044 0.400 1 746 90 90 GLN CG C 34.332 0.400 1 747 90 90 GLN N N 114.148 0.400 1 748 91 91 ASP H H 7.314 0.020 1 749 91 91 ASP N N 123.942 0.400 1 750 92 92 PRO HA H 4.257 0.020 1 751 92 92 PRO HB2 H 2.349 0.020 2 752 92 92 PRO HG2 H 2.059 0.020 2 753 92 92 PRO HG3 H 1.936 0.020 2 754 92 92 PRO C C 177.046 0.400 1 755 92 92 PRO CA C 64.959 0.400 1 756 92 92 PRO CB C 32.203 0.400 1 757 92 92 PRO CG C 27.333 0.400 1 758 93 93 LEU H H 8.036 0.020 1 759 93 93 LEU HA H 4.281 0.020 1 760 93 93 LEU HB2 H 1.674 0.020 2 761 93 93 LEU HB3 H 1.471 0.020 2 762 93 93 LEU HG H 1.055 0.020 1 763 93 93 LEU HD1 H 0.923 0.020 2 764 93 93 LEU HD2 H 0.812 0.020 2 765 93 93 LEU C C 177.933 0.400 1 766 93 93 LEU CA C 56.441 0.400 1 767 93 93 LEU CB C 43.090 0.400 1 768 93 93 LEU CG C 23.553 0.400 1 769 93 93 LEU CD1 C 26.932 0.400 1 770 93 93 LEU CD2 C 25.094 0.400 1 771 93 93 LEU N N 119.073 0.400 1 772 94 94 LEU H H 8.519 0.020 1 773 94 94 LEU HA H 3.496 0.020 1 774 94 94 LEU HB2 H 1.835 0.020 2 775 94 94 LEU HG H 1.535 0.020 1 776 94 94 LEU HD1 H 1.036 0.020 2 777 94 94 LEU HD2 H 0.766 0.020 2 778 94 94 LEU C C 180.334 0.400 1 779 94 94 LEU CA C 57.376 0.400 1 780 94 94 LEU CB C 42.564 0.400 1 781 94 94 LEU CG C 22.164 0.400 1 782 94 94 LEU CD1 C 26.634 0.400 1 783 94 94 LEU N N 116.580 0.400 1 784 95 95 GLY H H 8.578 0.020 1 785 95 95 GLY HA2 H 4.014 0.020 2 786 95 95 GLY HA3 H 3.375 0.020 2 787 95 95 GLY C C 174.006 0.400 1 788 95 95 GLY CA C 47.806 0.400 1 789 95 95 GLY N N 107.698 0.400 1 790 96 96 SER H H 6.812 0.020 1 791 96 96 SER HA H 4.046 0.020 1 792 96 96 SER HB2 H 3.968 0.020 2 793 96 96 SER C C 174.093 0.400 1 794 96 96 SER CA C 56.999 0.400 1 795 96 96 SER CB C 64.224 0.400 1 796 96 96 SER N N 110.831 0.400 1 797 97 97 SER H H 7.494 0.020 1 798 97 97 SER C C 175.237 0.400 1 799 97 97 SER CA C 58.720 0.400 1 800 97 97 SER CB C 65.499 0.400 1 801 97 97 SER N N 118.788 0.400 1 802 98 98 GLU H H 9.371 0.020 1 803 98 98 GLU HA H 4.406 0.020 1 804 98 98 GLU HB2 H 2.234 0.020 2 805 98 98 GLU HB3 H 2.155 0.020 2 806 98 98 GLU HG2 H 2.437 0.020 2 807 98 98 GLU C C 179.573 0.400 1 808 98 98 GLU CA C 59.251 0.400 1 809 98 98 GLU CB C 28.787 0.400 1 810 98 98 GLU CG C 35.920 0.400 1 811 98 98 GLU N N 126.609 0.400 1 812 99 99 THR H H 8.864 0.020 1 813 99 99 THR HA H 4.118 0.020 1 814 99 99 THR HB H 3.905 0.020 1 815 99 99 THR HG2 H 1.140 0.020 1 816 99 99 THR C C 175.705 0.400 1 817 99 99 THR CA C 67.200 0.400 1 818 99 99 THR CB C 68.628 0.400 1 819 99 99 THR CG2 C 22.907 0.400 1 820 99 99 THR N N 117.908 0.400 1 821 100 100 PHE H H 8.037 0.020 1 822 100 100 PHE HA H 4.379 0.020 1 823 100 100 PHE HB2 H 3.118 0.020 2 824 100 100 PHE HB3 H 2.920 0.020 2 825 100 100 PHE C C 175.705 0.400 1 826 100 100 PHE CA C 61.247 0.400 1 827 100 100 PHE CB C 40.438 0.400 1 828 100 100 PHE N N 121.281 0.400 1 829 101 101 ASN H H 8.308 0.020 1 830 101 101 ASN HA H 4.305 0.020 1 831 101 101 ASN HB2 H 2.905 0.020 2 832 101 101 ASN HB3 H 2.687 0.020 2 833 101 101 ASN C C 177.993 0.400 1 834 101 101 ASN CA C 57.671 0.400 1 835 101 101 ASN CB C 39.054 0.400 1 836 101 101 ASN N N 115.564 0.400 1 837 102 102 SER H H 9.371 0.020 1 838 102 102 SER HA H 4.087 0.020 1 839 102 102 SER C C 176.057 0.400 1 840 102 102 SER CA C 62.295 0.400 1 841 102 102 SER CB C 63.084 0.400 1 842 102 102 SER N N 117.198 0.400 1 843 103 103 PHE H H 7.595 0.020 1 844 103 103 PHE HA H 4.193 0.020 1 845 103 103 PHE HB2 H 3.389 0.020 2 846 103 103 PHE C C 176.585 0.400 1 847 103 103 PHE CA C 61.692 0.400 1 848 103 103 PHE CB C 39.072 0.400 1 849 103 103 PHE N N 123.455 0.400 1 850 104 104 LEU H H 7.633 0.020 1 851 104 104 LEU HA H 3.749 0.020 1 852 104 104 LEU HB2 H 1.865 0.020 2 853 104 104 LEU HB3 H 1.450 0.020 2 854 104 104 LEU HG H 0.748 0.020 1 855 104 104 LEU HD1 H 0.595 0.020 2 856 104 104 LEU HD2 H 0.530 0.020 2 857 104 104 LEU C C 178.049 0.400 1 858 104 104 LEU CA C 57.625 0.400 1 859 104 104 LEU CB C 42.066 0.400 1 860 104 104 LEU CG C 26.293 0.400 1 861 104 104 LEU N N 118.784 0.400 1 862 105 105 ARG H H 7.860 0.020 1 863 105 105 ARG HA H 4.171 0.020 1 864 105 105 ARG HB2 H 1.985 0.020 2 865 105 105 ARG HB3 H 1.897 0.020 2 866 105 105 ARG HG2 H 1.817 0.020 2 867 105 105 ARG HG3 H 1.607 0.020 2 868 105 105 ARG HD2 H 4.023 0.020 2 869 105 105 ARG C C 178.804 0.400 1 870 105 105 ARG CA C 59.329 0.400 1 871 105 105 ARG CB C 30.429 0.400 1 872 105 105 ARG CG C 27.596 0.400 1 873 105 105 ARG CD C 43.414 0.400 1 874 105 105 ARG N N 118.821 0.400 1 875 106 106 ARG H H 8.147 0.020 1 876 106 106 ARG HA H 4.198 0.020 1 877 106 106 ARG HB2 H 2.015 0.020 2 878 106 106 ARG HG2 H 2.286 0.020 2 879 106 106 ARG HG3 H 2.198 0.020 2 880 106 106 ARG HD2 H 2.465 0.020 2 881 106 106 ARG C C 177.289 0.400 1 882 106 106 ARG CA C 57.827 0.400 1 883 106 106 ARG CB C 29.901 0.400 1 884 106 106 ARG CG C 36.700 0.400 1 885 106 106 ARG N N 119.982 0.400 1 886 107 107 ALA H H 7.766 0.020 1 887 107 107 ALA C C 174.042 0.400 1 888 107 107 ALA N N 115.253 0.400 1 889 108 108 GLN H H 7.392 0.020 1 890 108 108 GLN HA H 3.976 0.020 1 891 108 108 GLN HB2 H 1.974 0.020 2 892 108 108 GLN HB3 H 1.585 0.020 2 893 108 108 GLN HG2 H 2.226 0.020 2 894 108 108 GLN HG3 H 2.162 0.020 2 895 108 108 GLN C C 177.522 0.400 1 896 108 108 GLN CA C 59.377 0.400 1 897 108 108 GLN CB C 28.568 0.400 1 898 108 108 GLN CG C 33.569 0.400 1 899 108 108 GLN N N 113.822 0.400 1 900 109 109 GLN H H 7.876 0.020 1 901 109 109 GLN HA H 4.046 0.020 1 902 109 109 GLN HB2 H 2.236 0.020 2 903 109 109 GLN HB3 H 2.156 0.020 2 904 109 109 GLN HG2 H 2.546 0.020 2 905 109 109 GLN HG3 H 2.421 0.020 2 906 109 109 GLN C C 177.581 0.400 1 907 109 109 GLN CA C 58.557 0.400 1 908 109 109 GLN CB C 28.239 0.400 1 909 109 109 GLN CG C 34.061 0.400 1 910 109 109 GLN N N 119.473 0.400 1 911 110 110 GLU H H 8.007 0.020 1 912 110 110 GLU HA H 4.344 0.020 1 913 110 110 GLU HB2 H 2.093 0.020 2 914 110 110 GLU HB3 H 1.960 0.020 2 915 110 110 GLU HG2 H 2.275 0.020 2 916 110 110 GLU C C 176.055 0.400 1 917 110 110 GLU CA C 56.748 0.400 1 918 110 110 GLU CB C 30.609 0.400 1 919 110 110 GLU CG C 36.358 0.400 1 920 110 110 GLU N N 117.541 0.400 1 921 111 111 THR H H 8.351 0.020 1 922 111 111 THR HA H 4.219 0.020 1 923 111 111 THR HB H 3.869 0.020 1 924 111 111 THR C C 174.244 0.400 1 925 111 111 THR CB C 63.569 0.400 1 926 111 111 THR N N 117.037 0.400 1 927 112 112 GLN H H 8.424 0.020 1 928 112 112 GLN HA H 2.754 0.020 1 929 112 112 GLN C C 176.561 0.400 1 930 112 112 GLN CA C 54.607 0.400 1 931 112 112 GLN N N 123.228 0.400 1 stop_ save_