data_19941 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural insights of TM domain of LAMP-2A in DPC micelles ; _BMRB_accession_number 19941 _BMRB_flat_file_name bmr19941.str _Entry_type original _Submission_date 2014-04-25 _Accession_date 2014-04-25 _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 Tjandra Nico . . 2 Rout 'Ashok K' . . 3 S. 'Marie Paule' . . 4 P. Grzegorz . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 159 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-27 original author . stop_ _Original_release_date 2014-10-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Transmembrane Domain of Lysosomal-Associated Membrane Protein Type 2a (LAMP-2A) Reveals Key Features for Substrate Specificity in Chaperone Mediated Autophagy ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tjandra Nico . . 2 Rout 'Ashok K' . . 3 S. 'Marie Paule' . . 4 P. Grzegorz . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TM domain of LAMP-2A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $TM_domain_of_LAMP2A 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_TM_domain_of_LAMP2A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TM_domain_of_LAMP2A _Molecular_mass 4484.208 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; SADDDNFLVPIAVGAALAGV LILVLLAYFIGLKHHHAGYE QF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 369 SER 2 370 ALA 3 371 ASP 4 372 ASP 5 373 ASP 6 374 ASN 7 375 PHE 8 376 LEU 9 377 VAL 10 378 PRO 11 379 ILE 12 380 ALA 13 381 VAL 14 382 GLY 15 383 ALA 16 384 ALA 17 385 LEU 18 386 ALA 19 387 GLY 20 388 VAL 21 389 LEU 22 390 ILE 23 391 LEU 24 392 VAL 25 393 LEU 26 394 LEU 27 395 ALA 28 396 TYR 29 397 PHE 30 398 ILE 31 399 GLY 32 400 LEU 33 401 LYS 34 402 HIS 35 403 HIS 36 404 HIS 37 405 ALA 38 406 GLY 39 407 TYR 40 408 GLU 41 409 GLN 42 410 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MOF "Structural Insights Of Tm Domain Of Lamp-2a In Dpc Micelles" 100.00 42 100.00 100.00 3.27e-19 PDB 2MOM "Structural Insights Of Tm Domain Of Lamp-2a In Dpc Micelles" 100.00 42 100.00 100.00 3.27e-19 DBJ BAE01710 "unnamed protein product [Macaca fascicularis]" 100.00 410 97.62 97.62 6.46e-19 DBJ BAF83779 "unnamed protein product [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 EMBL CAA54416 "lysosome-associated membrane protein-2 [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 GB AAA60383 "lysosomal membrane glycoprotein-2 [Homo sapiens]" 100.00 408 100.00 100.00 3.85e-20 GB AAB41647 "lysosomal membrane glycoprotein-2 [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 GB AAB67314 "lysosome-associated membrane protein-2 (LAMP2) [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 GB EAX11883 "lysosomal-associated membrane protein 2, isoform CRA_c [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 GB EPY76113 "lysosome-associated membrane glycoprotein 2 isoform 1 precursor [Camelus ferus]" 100.00 404 97.62 97.62 6.04e-19 PRF 2106261A "lysosome-associated membrane protein 2" 100.00 268 97.62 100.00 3.66e-20 REF NP_001106715 "lysosome-associated membrane glycoprotein 2 isoform 1 precursor [Bos taurus]" 100.00 407 97.62 97.62 6.25e-19 REF NP_002285 "lysosome-associated membrane glycoprotein 2 isoform A precursor [Homo sapiens]" 100.00 410 100.00 100.00 3.93e-20 REF XP_001493687 "PREDICTED: lysosome-associated membrane glycoprotein 2 isoform 1 [Equus caballus]" 97.62 417 97.56 97.56 2.83e-18 REF XP_003262323 "PREDICTED: lysosome-associated membrane glycoprotein 2 isoform X2 [Nomascus leucogenys]" 100.00 410 97.62 97.62 6.46e-19 REF XP_003779762 "PREDICTED: lysosome-associated membrane glycoprotein 2 isoform X2 [Pongo abelii]" 100.00 410 100.00 100.00 3.93e-20 SP P13473 "RecName: Full=Lysosome-associated membrane glycoprotein 2; Short=LAMP-2; Short=Lysosome-associated membrane protein 2; AltName:" 100.00 410 100.00 100.00 3.93e-20 TPG DAA13411 "TPA: lysosomal-associated membrane protein 2 isoform 1 [Bos taurus]" 100.00 407 97.62 97.62 6.25e-19 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TM_domain_of_LAMP2A 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 $TM_domain_of_LAMP2A 'recombinant technology' . Escherichia coli . pMAL2px stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '(15N) TM-LAMP2A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TM_domain_of_LAMP2A 0.6 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '(15N/13C) TM-LAMP2A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TM_domain_of_LAMP2A 0.6 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '(15N/13C) TM-LAMP2A' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TM_domain_of_LAMP2A 0.6 mM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_HCCH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCH NOESY' _Sample_label $sample_3 save_ save_3D_13C_Filter_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C Filter NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 310 . K pH 6.3 . pH pressure 1 . atm 'ionic strength' 25 . mM 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '4D HCCH NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 369 1 SER C C 179.0270 0.30 1 2 369 1 SER CA C 54.9140 0.30 1 3 369 1 SER CB C 63.5570 0.30 1 4 370 2 ALA H H 8.3270 0.02 1 5 370 2 ALA HA H 4.3810 0.02 1 6 370 2 ALA HB H 1.4390 0.02 1 7 370 2 ALA C C 177.6110 0.30 1 8 370 2 ALA CA C 57.6810 0.30 1 9 370 2 ALA CB C 18.5190 0.30 1 10 370 2 ALA N N 118.6710 0.30 1 11 371 3 ASP H H 8.3120 0.02 1 12 371 3 ASP HA H 4.5910 0.02 1 13 371 3 ASP HB2 H 2.6920 0.02 2 14 371 3 ASP C C 176.2700 0.30 1 15 371 3 ASP CA C 54.5590 0.30 1 16 371 3 ASP CB C 40.7940 0.30 1 17 371 3 ASP N N 117.9370 0.30 1 18 372 4 ASP H H 8.1620 0.02 1 19 372 4 ASP HA H 4.5920 0.02 1 20 372 4 ASP HB2 H 2.6440 0.02 2 21 372 4 ASP C C 174.0150 0.30 1 22 372 4 ASP CA C 54.3940 0.30 1 23 372 4 ASP CB C 45.1430 0.30 1 24 372 4 ASP N N 120.2650 0.30 1 25 373 5 ASP H H 8.0240 0.02 1 26 373 5 ASP HA H 4.5580 0.02 1 27 373 5 ASP HB2 H 2.6310 0.02 1 28 373 5 ASP HB3 H 2.6310 0.02 1 29 373 5 ASP C C 176.1970 0.30 1 30 373 5 ASP CA C 54.5440 0.30 1 31 373 5 ASP CB C 40.7910 0.30 1 32 373 5 ASP N N 119.3940 0.30 1 33 374 6 ASN H H 8.2720 0.02 1 34 374 6 ASN HA H 4.6950 0.02 1 35 374 6 ASN HB2 H 2.8160 0.02 2 36 374 6 ASN C C 175.4280 0.30 1 37 374 6 ASN CA C 53.2590 0.30 1 38 374 6 ASN CB C 38.6150 0.30 1 39 374 6 ASN N N 118.5310 0.30 1 40 375 7 PHE H H 8.5050 0.02 1 41 375 7 PHE HA H 4.5910 0.02 1 42 375 7 PHE HB2 H 3.1930 0.02 2 43 375 7 PHE HD2 H 7.1202 0.02 2 44 375 7 PHE HE2 H 6.8506 0.02 2 45 375 7 PHE HZ H 7.0433 0.02 1 46 375 7 PHE C C 175.3100 0.30 1 47 375 7 PHE CA C 58.0590 0.30 1 48 375 7 PHE CB C 38.9980 0.30 1 49 375 7 PHE CD2 C 133.1952 0.30 1 50 375 7 PHE CE2 C 134.7044 0.30 1 51 375 7 PHE N N 119.7640 0.30 1 52 376 8 LEU H H 8.0660 0.02 1 53 376 8 LEU HA H 4.0740 0.02 1 54 376 8 LEU HB2 H 1.5750 0.02 2 55 376 8 LEU HG H 1.9955 0.02 1 56 376 8 LEU CA C 57.1280 0.30 1 57 376 8 LEU N N 120.2730 0.30 1 58 378 10 PRO HA H 3.7540 0.02 1 59 378 10 PRO HB2 H 2.0020 0.02 2 60 378 10 PRO HG2 H 1.8607 0.02 2 61 378 10 PRO HG3 H 1.2680 0.02 2 62 378 10 PRO HD2 H 4.0320 0.02 2 63 378 10 PRO CA C 64.7520 0.30 1 64 378 10 PRO CB C 37.2190 0.30 1 65 378 10 PRO CG C 29.7490 0.30 1 66 378 10 PRO CD C 46.8388 0.30 1 67 379 11 ILE H H 8.4780 0.02 1 68 379 11 ILE HA H 3.9450 0.02 1 69 379 11 ILE HB H 1.8190 0.02 1 70 379 11 ILE HG12 H 2.4438 0.02 2 71 379 11 ILE HD1 H 0.7730 0.02 2 72 379 11 ILE C C 175.3480 0.30 1 73 379 11 ILE CA C 55.2860 0.30 1 74 379 11 ILE CB C 38.7430 0.30 1 75 379 11 ILE CG2 C 19.8686 0.30 1 76 379 11 ILE CD1 C 14.7819 0.30 1 77 379 11 ILE N N 122.0030 0.30 1 78 380 12 ALA H H 8.4730 0.02 1 79 380 12 ALA HA H 3.9090 0.02 1 80 380 12 ALA HB H 1.2495 0.02 1 81 380 12 ALA CA C 57.8800 0.30 1 82 380 12 ALA CB C 17.3598 0.30 1 83 380 12 ALA N N 119.8730 0.30 1 84 381 13 VAL HA H 3.5610 0.02 1 85 381 13 VAL HB H 2.0020 0.02 1 86 381 13 VAL HG1 H 1.0940 0.02 2 87 381 13 VAL HG2 H 0.9690 0.02 2 88 381 13 VAL C C 177.6920 0.30 1 89 381 13 VAL CA C 66.5210 0.30 1 90 381 13 VAL CB C 28.4960 0.30 1 91 381 13 VAL CG1 C 23.4013 0.30 1 92 381 13 VAL CG2 C 21.8093 0.30 1 93 382 14 GLY H H 8.5010 0.02 1 94 382 14 GLY HA2 H 3.6300 0.02 2 95 382 14 GLY C C 174.2600 0.30 1 96 382 14 GLY CA C 47.5090 0.30 1 97 382 14 GLY N N 106.1630 0.30 1 98 383 15 ALA H H 8.7840 0.02 1 99 383 15 ALA HA H 3.9460 0.02 1 100 383 15 ALA HB H 1.3110 0.02 1 101 383 15 ALA CA C 54.9310 0.30 1 102 383 15 ALA N N 122.4040 0.30 1 103 384 16 ALA H H 8.1710 0.02 1 104 384 16 ALA HA H 3.9420 0.02 1 105 384 16 ALA HB H 1.4460 0.02 1 106 384 16 ALA C C 178.9120 0.30 1 107 384 16 ALA CA C 55.0770 0.30 1 108 384 16 ALA CB C 18.0820 0.30 1 109 384 16 ALA N N 119.0370 0.30 1 110 385 17 LEU H H 8.3430 0.02 1 111 385 17 LEU HA H 3.9930 0.02 1 112 385 17 LEU HB2 H 1.8310 0.02 2 113 385 17 LEU HB3 H 1.5040 0.02 2 114 385 17 LEU HG H 1.0823 0.02 2 115 385 17 LEU HD1 H 0.8800 0.02 2 116 385 17 LEU HD2 H 0.8600 0.02 2 117 385 17 LEU C C 178.2590 0.30 1 118 385 17 LEU CA C 57.6910 0.30 1 119 385 17 LEU CB C 41.2280 0.30 1 120 385 17 LEU CG C 24.7896 0.30 1 121 385 17 LEU CD1 C 23.9533 0.30 1 122 385 17 LEU CD2 C 23.3320 0.30 1 123 385 17 LEU N N 116.4920 0.30 1 124 386 18 ALA H H 8.4610 0.02 1 125 386 18 ALA HA H 3.8810 0.02 1 126 386 18 ALA HB H 1.3910 0.02 1 127 386 18 ALA C C 179.0270 0.30 1 128 386 18 ALA CA C 55.1220 0.30 1 129 386 18 ALA CB C 18.6670 0.30 1 130 386 18 ALA N N 119.9690 0.30 1 131 387 19 GLY H H 8.5710 0.30 1 132 387 19 GLY HA2 H 3.5660 0.02 2 133 387 19 GLY C C 174.5000 0.30 1 134 387 19 GLY CA C 47.1650 0.30 1 135 387 19 GLY N N 104.0180 0.30 1 136 388 20 VAL H H 8.3250 0.02 1 137 388 20 VAL HA H 3.5540 0.02 1 138 388 20 VAL HB H 2.1230 0.02 1 139 388 20 VAL HG1 H 1.0650 0.02 2 140 388 20 VAL HG2 H 0.9507 0.02 2 141 388 20 VAL C C 177.1250 0.30 1 142 388 20 VAL CA C 66.9450 0.30 1 143 388 20 VAL CB C 30.7430 0.30 1 144 388 20 VAL CG1 C 21.7657 0.30 1 145 388 20 VAL N N 120.2950 0.30 1 146 389 21 LEU H H 8.2470 0.02 1 147 389 21 LEU HA H 3.9420 0.02 1 148 389 21 LEU HB2 H 1.6880 0.02 2 149 389 21 LEU HB3 H 1.5000 0.02 2 150 389 21 LEU HG H 1.3640 0.02 1 151 389 21 LEU HD1 H 1.0680 0.02 2 152 389 21 LEU HD2 H 0.8430 0.02 2 153 389 21 LEU C C 178.4240 0.30 1 154 389 21 LEU CA C 58.2380 0.30 1 155 389 21 LEU CB C 40.9310 0.30 1 156 389 21 LEU CG C 25.9383 0.30 1 157 389 21 LEU CD1 C 23.1463 0.30 1 158 389 21 LEU CD2 C 24.4093 0.30 1 159 389 21 LEU N N 118.8180 0.30 1 160 390 22 ILE H H 8.3910 0.02 1 161 390 22 ILE HA H 3.6270 0.02 1 162 390 22 ILE HB H 2.2200 0.02 1 163 390 22 ILE HG12 H 2.0030 0.02 2 164 390 22 ILE HG13 H 1.0050 0.02 2 165 390 22 ILE HD1 H 0.1900 0.02 2 166 390 22 ILE C C 177.2880 0.30 2 167 390 22 ILE CA C 65.2910 0.30 1 168 390 22 ILE CB C 36.8630 0.30 1 169 390 22 ILE CG1 C 30.2310 0.30 1 170 390 22 ILE CG2 C 14.2333 0.30 1 171 390 22 ILE CD1 C 13.9653 0.30 1 172 390 22 ILE N N 117.7230 0.30 1 173 391 23 LEU H H 8.1250 0.02 1 174 391 23 LEU HA H 4.0080 0.02 1 175 391 23 LEU HB2 H 2.0810 0.02 2 176 391 23 LEU HB3 H 1.5170 0.02 2 177 391 23 LEU HG H 1.9405 0.02 1 178 391 23 LEU HD1 H 0.8795 0.02 2 179 391 23 LEU HD2 H 1.9430 0.02 2 180 391 23 LEU C C 178.6610 0.30 1 181 391 23 LEU CA C 58.4300 0.30 1 182 391 23 LEU CB C 41.6600 0.30 1 183 391 23 LEU CG C 26.8908 0.30 1 184 391 23 LEU CD1 C 25.3603 0.30 1 185 391 23 LEU CD2 C 23.5223 0.30 1 186 391 23 LEU N N 119.3050 0.30 1 187 392 24 VAL H H 8.5190 0.02 1 188 392 24 VAL HA H 3.5910 0.02 1 189 392 24 VAL HB H 2.3110 0.02 1 190 392 24 VAL HG1 H 1.0810 0.02 2 191 392 24 VAL HG2 H 0.9450 0.02 2 192 392 24 VAL C C 177.5700 0.30 1 193 392 24 VAL CA C 66.8310 0.30 1 194 392 24 VAL CB C 30.7420 0.30 1 195 392 24 VAL CG1 C 23.2063 0.30 1 196 392 24 VAL CG2 C 21.7863 0.30 1 197 392 24 VAL N N 118.0530 0.30 1 198 393 25 LEU H H 8.4100 0.02 1 199 393 25 LEU HA H 4.1360 0.02 1 200 393 25 LEU HB2 H 2.0690 0.02 2 201 393 25 LEU HB3 H 1.6260 0.02 2 202 393 25 LEU HG H 1.9870 0.02 1 203 393 25 LEU HD1 H 1.0003 0.02 2 204 393 25 LEU HD2 H 0.9677 0.02 2 205 393 25 LEU C C 179.2960 0.30 1 206 393 25 LEU CA C 58.2380 0.30 1 207 393 25 LEU CB C 41.6690 0.30 1 208 393 25 LEU CG C 26.8793 0.30 1 209 393 25 LEU CD1 C 25.1813 0.30 1 210 393 25 LEU CD2 C 24.5730 0.30 1 211 393 25 LEU N N 119.5420 0.30 1 212 394 26 LEU H H 8.8300 0.02 1 213 394 26 LEU HA H 4.1740 0.02 1 214 394 26 LEU HB2 H 2.0620 0.02 2 215 394 26 LEU HB3 H 1.6140 0.02 2 216 394 26 LEU HG H 2.0055 0.02 1 217 394 26 LEU HD1 H 0.9525 0.02 2 218 394 26 LEU HD2 H 0.9489 0.02 2 219 394 26 LEU C C 178.8230 0.30 1 220 394 26 LEU CA C 58.2380 0.30 1 221 394 26 LEU CB C 41.6640 0.30 1 222 394 26 LEU CG C 27.1016 0.30 1 223 394 26 LEU CD1 C 25.6484 0.30 1 224 394 26 LEU CD2 C 24.1532 0.30 1 225 394 26 LEU N N 118.9530 0.30 1 226 395 27 ALA H H 8.7700 0.02 1 227 395 27 ALA HA H 3.9670 0.02 1 228 395 27 ALA HB H 1.5630 0.02 1 229 395 27 ALA C C 179.0650 0.30 1 230 395 27 ALA CA C 55.4710 0.30 1 231 395 27 ALA CB C 18.0780 0.30 1 232 395 27 ALA N N 121.3280 0.30 1 233 396 28 TYR H H 8.6110 0.02 1 234 396 28 TYR HA H 4.1310 0.02 1 235 396 28 TYR HB2 H 3.1890 0.02 2 236 396 28 TYR HB3 H 3.0710 0.02 2 237 396 28 TYR HD1 H 6.5523 0.02 2 238 396 28 TYR HE1 H 6.6050 0.02 2 239 396 28 TYR C C 177.0410 0.30 1 240 396 28 TYR CA C 61.5580 0.30 1 241 396 28 TYR CB C 38.4050 0.30 1 242 396 28 TYR CD1 C 132.5969 0.30 1 243 396 28 TYR CE1 C 117.9112 0.30 1 244 396 28 TYR N N 117.3350 0.30 1 245 397 29 PHE H H 8.7020 0.02 1 246 397 29 PHE HA H 4.1610 0.02 1 247 397 29 PHE HB2 H 3.1910 0.02 2 248 397 29 PHE HD2 H 6.5217 0.02 2 249 397 29 PHE HE2 H 7.4590 0.02 2 250 397 29 PHE HZ H 7.5270 0.02 1 251 397 29 PHE C C 177.4870 0.30 1 252 397 29 PHE CA C 61.7490 0.30 1 253 397 29 PHE CB C 39.4210 0.30 1 254 397 29 PHE CD2 C 132.6376 0.30 1 255 397 29 PHE CE2 C 131.9606 0.30 1 256 397 29 PHE CZ C 128.5697 0.30 1 257 397 29 PHE N N 116.1580 0.30 1 258 398 30 ILE H H 8.6880 0.02 1 259 398 30 ILE HA H 4.0330 0.02 1 260 398 30 ILE HB H 2.1070 0.02 1 261 398 30 ILE HG12 H 1.9002 0.02 2 262 398 30 ILE HG2 H 0.9035 0.02 2 263 398 30 ILE HD1 H 1.0803 0.02 2 264 398 30 ILE C C 177.4910 0.02 1 265 398 30 ILE CA C 63.0460 0.30 1 266 398 30 ILE CB C 37.3160 0.30 1 267 398 30 ILE CG1 C 29.8402 0.30 1 268 398 30 ILE CG2 C 17.3638 0.30 1 269 398 30 ILE CD1 C 12.7761 0.30 1 270 398 30 ILE N N 116.5660 0.30 1 271 399 31 GLY H H 8.2320 0.02 1 272 399 31 GLY HA2 H 3.9180 0.02 2 273 399 31 GLY CA C 46.5870 0.30 1 274 399 31 GLY N N 107.7890 0.30 1 275 400 32 LEU H H 8.0820 0.02 1 276 400 32 LEU HA H 4.2680 0.02 1 277 400 32 LEU HB2 H 1.6190 0.02 2 278 400 32 LEU HB3 H 1.5720 0.02 2 279 400 32 LEU HG H 1.4105 0.02 1 280 400 32 LEU HD1 H 0.8790 0.02 2 281 400 32 LEU HD2 H 0.9707 0.02 2 282 400 32 LEU CA C 55.9970 0.30 1 283 400 32 LEU CB C 35.4202 0.30 1 284 400 32 LEU CG C 24.3198 0.30 1 285 400 32 LEU CD1 C 24.0563 0.30 1 286 400 32 LEU CD2 C 21.6036 0.30 1 287 400 32 LEU N N 119.8630 0.30 1 288 401 33 LYS H H 7.9310 0.02 1 289 401 33 LYS HA H 4.1360 0.02 1 290 401 33 LYS HB2 H 1.6920 0.02 2 291 401 33 LYS HG2 H 1.2833 0.02 2 292 401 33 LYS HD2 H 1.6255 0.02 2 293 401 33 LYS HE2 H 3.2960 0.02 2 294 401 33 LYS C C 176.8770 0.30 1 295 401 33 LYS CA C 56.5790 0.30 1 296 401 33 LYS CB C 32.0490 0.30 1 297 401 33 LYS CG C 24.5370 0.30 1 298 401 33 LYS CD C 28.8022 0.30 1 299 401 33 LYS CE C 39.7789 0.30 1 300 401 33 LYS N N 118.0410 0.30 1 301 402 34 HIS H H 8.0670 0.02 1 302 402 34 HIS HA H 4.5230 0.02 1 303 402 34 HIS HB2 H 2.5640 0.02 2 304 402 34 HIS HD1 H 1.4170 0.02 2 305 402 34 HIS HE1 H 6.9373 0.02 2 306 402 34 HIS HE2 H 1.5870 0.02 2 307 402 34 HIS C C 175.1860 0.30 1 308 402 34 HIS CA C 56.7560 0.30 1 309 402 34 HIS CB C 30.1870 0.30 1 310 402 34 HIS CD2 C 122.058 0.30 1 311 402 34 HIS CE1 C 139.917 0.30 1 312 402 34 HIS N N 117.5400 0.30 1 313 403 35 HIS H H 8.2080 0.02 1 314 403 35 HIS CA C 54.5260 0.30 1 315 403 35 HIS N N 120.0710 0.30 1 316 404 36 HIS HA H 4.5630 0.02 1 317 404 36 HIS HB2 H 3.1240 0.02 2 318 404 36 HIS HD1 H 0.6210 0.02 2 319 404 36 HIS HE1 H 6.9777 0.02 2 320 404 36 HIS C C 174.9460 0.30 1 321 404 36 HIS CA C 56.2030 0.30 1 322 404 36 HIS CB C 30.3050 0.30 1 323 404 36 HIS CD2 C 125.254 0.30 1 324 404 36 HIS CE1 C 140.7063 0.30 1 325 405 37 ALA H H 8.2420 0.02 1 326 405 37 ALA HA H 4.3210 0.02 1 327 405 37 ALA HB H 1.3760 0.02 1 328 405 37 ALA C C 177.7290 0.30 1 329 405 37 ALA CA C 52.5170 0.30 1 330 405 37 ALA CB C 18.9390 0.30 1 331 405 37 ALA N N 123.8570 0.30 1 332 406 38 GLY H H 8.3730 0.02 1 333 406 38 GLY HA2 H 3.9090 0.02 2 334 406 38 GLY HA3 H 3.7530 0.02 2 335 406 38 GLY C C 176.3170 0.30 1 336 406 38 GLY CA C 45.1250 0.30 1 337 406 38 GLY N N 107.1530 0.30 1 338 407 39 TYR H H 8.0050 0.02 1 339 407 39 TYR HA H 4.5870 0.02 1 340 407 39 TYR HB2 H 3.1480 0.02 2 341 407 39 TYR HB3 H 2.9420 0.02 2 342 407 39 TYR HD1 H 7.2280 0.02 2 343 407 39 TYR C C 175.7140 0.30 1 344 407 39 TYR CA C 57.8750 0.30 1 345 407 39 TYR CB C 38.8310 0.30 1 346 407 39 TYR CD1 C 136.1826 0.30 1 347 407 39 TYR N N 119.2950 0.30 1 348 408 40 GLU H H 8.4290 0.02 1 349 408 40 GLU HA H 4.2050 0.02 1 350 408 40 GLU HB2 H 1.9410 0.02 2 351 408 40 GLU HG2 H 2.2680 0.02 2 352 408 40 GLU C C 175.9130 0.30 1 353 408 40 GLU CA C 56.5820 0.30 1 354 408 40 GLU CB C 29.8680 0.30 1 355 408 40 GLU CG C 33.9062 0.30 1 356 408 40 GLU N N 121.1930 0.30 1 357 409 41 GLN H H 8.1190 0.02 1 358 409 41 GLN HA H 4.2660 0.02 1 359 409 41 GLN HB2 H 2.0150 0.02 2 360 409 41 GLN HB3 H 1.8780 0.02 2 361 409 41 GLN HG2 H 1.4830 0.02 2 362 409 41 GLN C C 174.5020 0.30 1 363 409 41 GLN CA C 55.4690 0.30 1 364 409 41 GLN CB C 29.4180 0.30 1 365 409 41 GLN CG C 36.3517 0.30 1 366 409 41 GLN N N 119.9750 0.30 1 367 410 42 PHE H H 7.7350 0.02 1 368 410 42 PHE HA H 4.4800 0.02 1 369 410 42 PHE HD2 H 7.2890 0.02 2 370 410 42 PHE CA C 58.7960 0.30 1 371 410 42 PHE CB C 40.5198 0.30 1 372 410 42 PHE CD2 C 132.1344 0.30 1 373 410 42 PHE N N 125.6700 0.30 1 stop_ save_