data_6332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of MLC (myosin light chain)from Saccharomyces cerevisiae ; _BMRB_accession_number 6332 _BMRB_flat_file_name bmr6332.str _Entry_type original _Submission_date 2004-09-29 _Accession_date 2004-09-29 _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 Pennestri Matteo . . 2 Cicero Daniel O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 T1_relaxation 1 T2_relaxation 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 824 "13C chemical shifts" 664 "15N chemical shifts" 155 "T1 relaxation values" 125 "T2 relaxation values" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-11 update BMRB 'sequence numbering corrected in T1, T2, and het NOE save frames' 2008-05-13 update author 'addition of T1, T2, and NOE' 2005-07-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances of Mlc1p from Saccharomyces cerevisiae ; _Citation_status published _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 Melino Sonia . . 2 Pennestri Matteo . . 3 Santoprete Alessia . . 4 Bielli Pamela . . 5 Paci Maurizio . . 6 Ragnini-Wilson Antonella . . 7 Cicero Daniel O. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 367 _Page_last 368 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_mlc _Saveframe_category molecular_system _Mol_system_name 'myosin light chain' _Abbreviation_common mlc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mlc monomer' $mlc1p_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mlc1p_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Myosin Light Chain' _Abbreviation_common mlc1p _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MSATRANKDIFTLFDKKGQG AIAKDSLGDYLRAIGYNPTN QLVQDIINADSSLRDASSLT LDQITGLIEVNEKELDATTK AKTEDFVKAFQVFDKESTGK VSVGDLRYMLTGLGEKLTDA EVDELLKGVEVDSNGEIDYK KFIEDVLRQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 THR 5 ARG 6 ALA 7 ASN 8 LYS 9 ASP 10 ILE 11 PHE 12 THR 13 LEU 14 PHE 15 ASP 16 LYS 17 LYS 18 GLY 19 GLN 20 GLY 21 ALA 22 ILE 23 ALA 24 LYS 25 ASP 26 SER 27 LEU 28 GLY 29 ASP 30 TYR 31 LEU 32 ARG 33 ALA 34 ILE 35 GLY 36 TYR 37 ASN 38 PRO 39 THR 40 ASN 41 GLN 42 LEU 43 VAL 44 GLN 45 ASP 46 ILE 47 ILE 48 ASN 49 ALA 50 ASP 51 SER 52 SER 53 LEU 54 ARG 55 ASP 56 ALA 57 SER 58 SER 59 LEU 60 THR 61 LEU 62 ASP 63 GLN 64 ILE 65 THR 66 GLY 67 LEU 68 ILE 69 GLU 70 VAL 71 ASN 72 GLU 73 LYS 74 GLU 75 LEU 76 ASP 77 ALA 78 THR 79 THR 80 LYS 81 ALA 82 LYS 83 THR 84 GLU 85 ASP 86 PHE 87 VAL 88 LYS 89 ALA 90 PHE 91 GLN 92 VAL 93 PHE 94 ASP 95 LYS 96 GLU 97 SER 98 THR 99 GLY 100 LYS 101 VAL 102 SER 103 VAL 104 GLY 105 ASP 106 LEU 107 ARG 108 TYR 109 MET 110 LEU 111 THR 112 GLY 113 LEU 114 GLY 115 GLU 116 LYS 117 LEU 118 THR 119 ASP 120 ALA 121 GLU 122 VAL 123 ASP 124 GLU 125 LEU 126 LEU 127 LYS 128 GLY 129 VAL 130 GLU 131 VAL 132 ASP 133 SER 134 ASN 135 GLY 136 GLU 137 ILE 138 ASP 139 TYR 140 LYS 141 LYS 142 PHE 143 ILE 144 GLU 145 ASP 146 VAL 147 LEU 148 ARG 149 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 1M45 "Crystal Structure Of Mlc1p Bound To Iq2 Of Myo2p, A Class V Myosin" 99.33 148 100.00 100.00 1.73e-98 PDB 1M46 "Crystal Structure Of Mlc1p Bound To Iq4 Of Myo2p, A Class V Myosin" 99.33 148 100.00 100.00 1.73e-98 PDB 1N2D "Ternary Complex Of Mlc1p Bound To Iq2 And Iq3 Of Myo2p, A Class V Myosin" 99.33 148 100.00 100.00 1.73e-98 PDB 2FCD "Solution Structure Of N-Lobe Myosin Light Chain From Saccharomices Cerevisiae" 52.35 78 100.00 100.00 6.25e-46 DBJ GAA23287 "K7_Mlc1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 149 100.00 100.00 1.48e-99 EMBL CAA66246 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 149 100.00 100.00 1.48e-99 EMBL CAA96813 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 149 100.00 100.00 1.48e-99 EMBL CAY79658 "Mlc1p [Saccharomyces cerevisiae EC1118]" 100.00 149 100.00 100.00 1.48e-99 GB AHY79275 "Mlc1p [Saccharomyces cerevisiae YJM993]" 100.00 149 100.00 100.00 1.48e-99 GB EDN62013 "myosin Myo2p light chain [Saccharomyces cerevisiae YJM789]" 100.00 149 100.00 100.00 1.48e-99 GB EDV10328 "myosin Myo2p light chain [Saccharomyces cerevisiae RM11-1a]" 100.00 149 100.00 100.00 1.48e-99 GB EDZ72226 "YGL106Wp-like protein [Saccharomyces cerevisiae AWRI1631]" 100.00 149 100.00 100.00 1.48e-99 GB EEU08150 "Mlc1p [Saccharomyces cerevisiae JAY291]" 100.00 149 100.00 100.00 1.48e-99 REF NP_011409 "Mlc1p [Saccharomyces cerevisiae S288c]" 100.00 149 100.00 100.00 1.48e-99 SP P53141 "RecName: Full=Myosin light chain 1; AltName: Full=Calmodulin-like myosin light chain MLC1; AltName: Full=Myosin-2 light chain [" 100.00 149 100.00 100.00 1.48e-99 TPG DAA08001 "TPA: Mlc1p [Saccharomyces cerevisiae S288c]" 100.00 149 100.00 100.00 1.48e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mlc1p_monomer 'baker's yeast' 4932 Eukaryota Fungi Saccaromyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $mlc1p_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_mlc _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mlc1p_monomer 0.7 mM '[U-99% 13C; U-99% 15N]' 'phosphate buffer' 66 mM . NaCl 0.33 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_hacaCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name hacaCONH _Sample_label . 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 '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name hacaCONH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_mlc _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_mlc stop_ _Sample_conditions_label $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mlc monomer' _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 N N 126.86 0.1 1 2 . 2 SER H H 8.2590 0.02 1 3 . 2 SER CA C 58.300 0.2 1 4 . 2 SER HA H 4.3390 0.02 1 5 . 2 SER CB C 63.700 0.2 1 6 . 2 SER HB3 H 3.8230 0.02 1 7 . 2 SER HB2 H 3.8230 0.02 1 8 . 2 SER C C 174.20 0.2 1 9 . 3 ALA H H 8.3410 0.02 1 10 . 3 ALA CA C 52.700 0.2 1 11 . 3 ALA HA H 4.3230 0.02 1 12 . 3 ALA CB C 18.900 0.2 1 13 . 3 ALA HB H 1.3350 0.02 1 14 . 3 ALA C C 177.81 0.2 1 15 . 4 THR N N 113.19 0.1 1 16 . 4 THR H H 7.9400 0.02 1 17 . 4 THR CA C 62.100 0.2 1 18 . 4 THR HA H 4.2160 0.02 1 19 . 4 THR CB C 69.531 0.2 1 20 . 4 THR HB H 4.2030 0.02 1 21 . 4 THR CG2 C 21.512 0.2 1 22 . 4 THR HG2 H 1.1400 0.02 1 23 . 4 THR C C 174.70 0.2 1 24 . 5 ARG N N 122.64 0.1 1 25 . 5 ARG H H 8.1510 0.02 1 26 . 5 ARG CA C 56.800 0.2 1 27 . 5 ARG HA H 4.1730 0.02 1 28 . 5 ARG CB C 29.900 0.2 1 29 . 5 ARG HB3 H 1.8290 0.02 2 30 . 5 ARG HB2 H 1.6850 0.02 2 31 . 5 ARG CG C 27.070 0.2 1 32 . 5 ARG HG3 H 1.5950 0.02 1 33 . 5 ARG HG2 H 1.5950 0.02 1 34 . 5 ARG CD C 42.868 0.2 1 35 . 5 ARG HD3 H 3.0250 0.02 2 36 . 5 ARG HD2 H 2.9530 0.02 2 37 . 5 ARG C C 176.20 0.2 1 38 . 6 ALA N N 123.19 0.1 1 39 . 6 ALA H H 8.1870 0.02 1 40 . 6 ALA CA C 53.200 0.2 1 41 . 6 ALA HA H 4.1610 0.02 1 42 . 6 ALA CB C 18.500 0.2 1 43 . 6 ALA HB H 1.3340 0.02 1 44 . 6 ALA C C 177.47 0.2 1 45 . 7 ASN N N 119.12 0.1 1 46 . 7 ASN H H 7.8930 0.02 1 47 . 7 ASN CA C 54.542 0.2 1 48 . 7 ASN HA H 4.5310 0.02 1 49 . 7 ASN CB C 38.420 0.2 1 50 . 7 ASN HB3 H 2.8040 0.02 1 51 . 7 ASN HB2 H 2.8040 0.02 1 52 . 7 ASN CG C 175.16 0.2 1 53 . 7 ASN ND2 N 111.85 0.1 1 54 . 7 ASN HD21 H 6.9750 0.02 2 55 . 7 ASN HD22 H 7.5690 0.02 2 56 . 7 ASN C C 177.47 0.2 1 57 . 8 LYS CA C 59.066 0.2 1 58 . 8 LYS HA H 4.0670 0.02 1 59 . 8 LYS CB C 31.900 0.2 1 60 . 8 LYS HB3 H 1.8460 0.02 1 61 . 8 LYS HB2 H 1.8460 0.02 1 62 . 8 LYS CG C 25.070 0.2 1 63 . 8 LYS HG3 H 1.4750 0.02 2 64 . 8 LYS HG2 H 1.4030 0.02 2 65 . 8 LYS CD C 29.080 0.2 1 66 . 8 LYS HD3 H 1.5840 0.02 1 67 . 8 LYS HD2 H 1.5840 0.02 1 68 . 8 LYS CE C 41.750 0.2 1 69 . 8 LYS HE3 H 2.9150 0.02 1 70 . 8 LYS HE2 H 2.9150 0.02 1 71 . 8 LYS C C 177.20 0.2 1 72 . 9 ASP N N 121.98 0.1 1 73 . 9 ASP H H 8.1850 0.02 1 74 . 9 ASP CA C 57.000 0.2 1 75 . 9 ASP HA H 4.4890 0.02 1 76 . 9 ASP CB C 39.930 0.2 1 77 . 9 ASP HB3 H 2.6660 0.02 2 78 . 9 ASP HB2 H 2.7920 0.02 2 79 . 9 ASP CG C 179.18 0.2 1 80 . 9 ASP C C 178.87 0.2 1 81 . 10 ILE N N 121.42 0.1 1 82 . 10 ILE H H 8.0890 0.02 1 83 . 10 ILE CA C 63.600 0.2 1 84 . 10 ILE HA H 3.8830 0.02 1 85 . 10 ILE CB C 37.010 0.2 1 86 . 10 ILE HB H 1.8360 0.02 1 87 . 10 ILE CG1 C 28.960 0.2 1 88 . 10 ILE HG13 H 1.5850 0.02 2 89 . 10 ILE HG12 H 1.2280 0.02 2 90 . 10 ILE CD1 C 12.000 0.2 1 91 . 10 ILE HD1 H 0.7440 0.02 1 92 . 10 ILE CG2 C 18.810 0.2 1 93 . 10 ILE HG2 H 0.9590 0.02 1 94 . 10 ILE C C 177.50 0.2 1 95 . 11 PHE N N 122.65 0.1 1 96 . 11 PHE H H 8.1540 0.02 1 97 . 11 PHE CA C 63.000 0.2 1 98 . 11 PHE HA H 4.0110 0.02 1 99 . 11 PHE CB C 39.330 0.2 1 100 . 11 PHE HB3 H 3.3700 0.02 2 101 . 11 PHE HB2 H 3.0750 0.02 2 102 . 11 PHE HD1 H 6.7040 0.02 1 103 . 11 PHE HE1 H 6.8290 0.02 1 104 . 11 PHE HZ H 6.9520 0.02 1 105 . 11 PHE HE2 H 6.8290 0.02 1 106 . 11 PHE HD2 H 6.7040 0.02 1 107 . 11 PHE C C 176.80 0.2 1 108 . 12 THR N N 113.45 0.1 1 109 . 12 THR H H 8.1500 0.02 1 110 . 12 THR CA C 66.100 0.2 1 111 . 12 THR HA H 3.8980 0.02 1 112 . 12 THR CB C 68.945 0.2 1 113 . 12 THR HB H 4.3460 0.02 1 114 . 12 THR CG2 C 21.805 0.2 1 115 . 12 THR HG2 H 1.3320 0.02 1 116 . 12 THR C C 175.60 0.2 1 117 . 13 LEU N N 120.93 0.1 1 118 . 13 LEU H H 7.3970 0.02 1 119 . 13 LEU CA C 57.100 0.2 1 120 . 13 LEU HA H 3.9290 0.02 1 121 . 13 LEU CB C 41.195 0.2 1 122 . 13 LEU HB3 H 1.8550 0.02 2 123 . 13 LEU HB2 H 1.3660 0.02 2 124 . 13 LEU CG C 26.357 0.2 1 125 . 13 LEU HG H 1.6810 0.02 1 126 . 13 LEU CD1 C 24.898 0.2 2 127 . 13 LEU HD1 H 0.8200 0.02 2 128 . 13 LEU CD2 C 22.788 0.2 2 129 . 13 LEU HD2 H 0.7320 0.02 2 130 . 13 LEU C C 178.30 0.2 1 131 . 14 PHE N N 116.83 0.1 1 132 . 14 PHE H H 7.6070 0.02 1 133 . 14 PHE CA C 59.400 0.2 1 134 . 14 PHE HA H 4.1640 0.02 1 135 . 14 PHE CB C 40.200 0.2 1 136 . 14 PHE HB3 H 2.8340 0.02 2 137 . 14 PHE HB2 H 2.9580 0.02 2 138 . 14 PHE HD1 H 6.5260 0.02 1 139 . 14 PHE HE1 H 6.7520 0.02 1 140 . 14 PHE HE2 H 6.7520 0.02 1 141 . 14 PHE HD2 H 6.5260 0.02 1 142 . 14 PHE C C 175.50 0.2 1 143 . 15 ASP N N 123.38 0.1 1 144 . 15 ASP H H 7.6980 0.02 1 145 . 15 ASP CA C 51.900 0.2 1 146 . 15 ASP HA H 4.7040 0.02 1 147 . 15 ASP CB C 39.050 0.2 1 148 . 15 ASP HB3 H 2.6630 0.02 2 149 . 15 ASP HB2 H 1.8010 0.02 2 150 . 15 ASP CG C 180.20 0.2 1 151 . 15 ASP C C 176.50 0.2 1 152 . 16 LYS N N 123.46 0.1 1 153 . 16 LYS H H 7.8060 0.02 1 154 . 16 LYS CA C 58.500 0.2 1 155 . 16 LYS HA H 4.0080 0.02 1 156 . 16 LYS CB C 32.050 0.2 1 157 . 16 LYS HB3 H 1.7870 0.02 1 158 . 16 LYS HB2 H 1.7870 0.02 1 159 . 16 LYS CG C 24.890 0.2 1 160 . 16 LYS HG3 H 1.4750 0.02 1 161 . 16 LYS HG2 H 1.4750 0.02 1 162 . 16 LYS CD C 28.720 0.2 1 163 . 16 LYS HD3 H 1.6440 0.02 2 164 . 16 LYS CE C 41.730 0.2 1 165 . 16 LYS HE3 H 2.9160 0.02 2 166 . 16 LYS C C 178.40 0.2 1 167 . 17 LYS N N 116.30 0.1 1 168 . 17 LYS H H 8.5760 0.02 1 169 . 17 LYS CA C 55.700 0.2 1 170 . 17 LYS HA H 4.3350 0.02 1 171 . 17 LYS CB C 31.800 0.2 1 172 . 17 LYS HB3 H 1.9460 0.02 2 173 . 17 LYS HB2 H 1.7290 0.02 2 174 . 17 LYS CG C 25.170 0.2 1 175 . 17 LYS HG3 H 1.3900 0.02 1 176 . 17 LYS HG2 H 1.3900 0.02 1 177 . 17 LYS CD C 28.720 0.2 1 178 . 17 LYS HD3 H 1.6860 0.02 2 179 . 17 LYS CE C 41.670 0.2 1 180 . 17 LYS HE3 H 2.9200 0.02 2 181 . 17 LYS C C 176.90 0.2 1 182 . 18 GLY N N 111.61 0.1 1 183 . 18 GLY H H 7.8300 0.02 1 184 . 18 GLY CA C 47.180 0.2 1 185 . 18 GLY HA3 H 3.8000 0.02 1 186 . 18 GLY HA2 H 3.8000 0.02 1 187 . 18 GLY C C 175.50 0.2 1 188 . 19 GLN N N 120.64 0.1 1 189 . 19 GLN H H 9.5070 0.02 1 190 . 19 GLN CA C 55.500 0.2 1 191 . 19 GLN HA H 4.3340 0.02 1 192 . 19 GLN CB C 30.100 0.2 1 193 . 19 GLN HB3 H 1.9980 0.02 2 194 . 19 GLN CG C 34.130 0.2 1 195 . 19 GLN HG3 H 2.1850 0.02 2 196 . 19 GLN HG2 H 2.3100 0.02 2 197 . 19 GLN CD C 179.90 0.2 1 198 . 19 GLN NE2 N 113.00 0.1 1 199 . 19 GLN HE21 H 7.4080 0.02 2 200 . 19 GLN HE22 H 6.8320 0.02 2 201 . 19 GLN C C 176.90 0.2 1 202 . 20 GLY N N 114.81 0.1 1 203 . 20 GLY H H 10.760 0.02 1 204 . 20 GLY CA C 45.499 0.2 1 205 . 20 GLY HA3 H 4.1400 0.02 2 206 . 20 GLY HA2 H 3.6560 0.02 2 207 . 20 GLY C C 173.20 0.2 1 208 . 21 ALA N N 121.50 0.1 1 209 . 21 ALA H H 7.3560 0.02 1 210 . 21 ALA CA C 51.200 0.2 1 211 . 21 ALA HA H 4.9780 0.02 1 212 . 21 ALA CB C 22.104 0.2 1 213 . 21 ALA HB H 1.0380 0.02 1 214 . 21 ALA C C 175.00 0.2 1 215 . 22 ILE N N 113.44 0.1 1 216 . 22 ILE H H 8.5350 0.02 1 217 . 22 ILE CA C 58.400 0.2 1 218 . 22 ILE HA H 4.5910 0.02 1 219 . 22 ILE CB C 41.160 0.2 1 220 . 22 ILE HB H 1.6940 0.02 1 221 . 22 ILE CG1 C 24.220 0.2 1 222 . 22 ILE HG13 H 1.1340 0.02 2 223 . 22 ILE HG12 H 0.7480 0.02 2 224 . 22 ILE CD1 C 13.375 0.2 1 225 . 22 ILE HD1 H 0.2040 0.02 1 226 . 22 ILE CG2 C 17.296 0.2 1 227 . 22 ILE HG2 H 0.1150 0.02 1 228 . 22 ILE C C 174.70 0.2 1 229 . 23 ALA N N 125.89 0.1 1 230 . 23 ALA H H 8.5470 0.02 1 231 . 23 ALA CA C 52.400 0.2 1 232 . 23 ALA HA H 4.2780 0.02 1 233 . 23 ALA CB C 18.400 0.2 1 234 . 23 ALA HB H 1.4790 0.02 1 235 . 23 ALA C C 179.30 0.2 1 236 . 24 LYS N N 124.88 0.1 1 237 . 24 LYS H H 8.2240 0.02 1 238 . 24 LYS CA C 60.300 0.2 1 239 . 24 LYS HA H 3.6610 0.02 1 240 . 24 LYS CB C 31.750 0.2 1 241 . 24 LYS HB3 H 1.8130 0.02 2 242 . 24 LYS HB2 H 1.4230 0.02 2 243 . 24 LYS CG C 24.700 0.2 1 244 . 24 LYS HG3 H 1.3480 0.02 1 245 . 24 LYS HG2 H 1.3480 0.02 1 246 . 24 LYS CD C 29.360 0.2 1 247 . 24 LYS HD3 H 1.6440 0.02 2 248 . 24 LYS HD2 H 1.7300 0.02 2 249 . 24 LYS CE C 41.583 0.2 1 250 . 24 LYS HE3 H 2.9530 0.02 1 251 . 24 LYS HE2 H 2.9530 0.02 1 252 . 24 LYS C C 178.00 0.2 1 253 . 25 ASP N N 115.66 0.1 1 254 . 25 ASP H H 8.4080 0.02 1 255 . 25 ASP CA C 55.700 0.2 1 256 . 25 ASP HA H 4.4500 0.02 1 257 . 25 ASP CB C 40.030 0.2 1 258 . 25 ASP HB3 H 2.7050 0.02 2 259 . 25 ASP HB2 H 2.6230 0.02 2 260 . 25 ASP CG C 179.73 0.2 1 261 . 25 ASP C C 177.00 0.2 1 262 . 26 SER N N 115.84 0.1 1 263 . 26 SER H H 7.9720 0.02 1 264 . 26 SER CA C 59.000 0.2 1 265 . 26 SER HA H 4.7550 0.02 1 266 . 26 SER CB C 64.300 0.2 1 267 . 26 SER HB3 H 4.0540 0.02 2 268 . 26 SER HB2 H 4.1630 0.02 2 269 . 26 SER C C 173.50 0.2 1 270 . 27 LEU N N 122.81 0.1 1 271 . 27 LEU H H 7.6460 0.02 1 272 . 27 LEU CA C 58.333 0.2 1 273 . 27 LEU HA H 3.8270 0.02 1 274 . 27 LEU CB C 40.943 0.2 1 275 . 27 LEU HB3 H 1.8040 0.02 2 276 . 27 LEU HB2 H 1.4190 0.02 2 277 . 27 LEU CG C 26.760 0.2 1 278 . 27 LEU CD1 C 26.101 0.2 2 279 . 27 LEU HD1 H 0.7610 0.02 2 280 . 27 LEU CD2 C 23.507 0.2 2 281 . 27 LEU HD2 H 0.8770 0.02 2 282 . 27 LEU C C 177.61 0.2 1 283 . 28 GLY N N 107.12 0.1 1 284 . 28 GLY H H 8.8950 0.02 1 285 . 28 GLY CA C 47.950 0.2 1 286 . 28 GLY HA3 H 3.3890 0.02 2 287 . 28 GLY HA2 H 3.8920 0.02 2 288 . 28 GLY C C 174.50 0.2 1 289 . 29 ASP N N 121.43 0.1 1 290 . 29 ASP H H 7.8950 0.02 1 291 . 29 ASP CA C 57.061 0.2 1 292 . 29 ASP HA H 4.3530 0.02 1 293 . 29 ASP CB C 39.800 0.2 1 294 . 29 ASP HB3 H 2.7660 0.02 2 295 . 29 ASP HB2 H 2.6620 0.02 2 296 . 29 ASP C C 178.76 0.2 1 297 . 30 TYR N N 124.25 0.1 1 298 . 30 TYR H H 8.0890 0.02 1 299 . 30 TYR CA C 61.900 0.2 1 300 . 30 TYR HA H 3.4010 0.02 1 301 . 30 TYR CB C 37.490 0.2 1 302 . 30 TYR HB3 H 2.7270 0.02 2 303 . 30 TYR HB2 H 2.0230 0.02 2 304 . 30 TYR CD1 C 131.95 0.2 1 305 . 30 TYR HD1 H 6.7160 0.02 1 306 . 30 TYR CE1 C 117.62 0.2 1 307 . 30 TYR HE1 H 6.5280 0.02 1 308 . 30 TYR CE2 C 117.62 0.2 1 309 . 30 TYR HE2 H 6.5280 0.02 1 310 . 30 TYR CD2 C 131.95 0.2 1 311 . 30 TYR HD2 H 6.7160 0.02 1 312 . 30 TYR C C 175.73 0.2 1 313 . 31 LEU N N 117.44 0.1 1 314 . 31 LEU H H 8.5120 0.02 1 315 . 31 LEU CA C 57.300 0.2 1 316 . 31 LEU HA H 3.8700 0.02 1 317 . 31 LEU CB C 41.280 0.2 1 318 . 31 LEU HB3 H 2.0230 0.02 2 319 . 31 LEU HB2 H 1.0620 0.02 2 320 . 31 LEU CG C 25.810 0.2 1 321 . 31 LEU CD1 C 26.130 0.2 2 322 . 31 LEU HD1 H 0.6500 0.02 2 323 . 31 LEU CD2 C 21.882 0.2 2 324 . 31 LEU HD2 H 0.7940 0.02 2 325 . 31 LEU C C 178.60 0.2 1 326 . 32 ARG N N 118.16 0.1 1 327 . 32 ARG H H 8.0330 0.02 1 328 . 32 ARG CA C 57.600 0.2 1 329 . 32 ARG HA H 4.9510 0.02 1 330 . 32 ARG CB C 30.510 0.2 1 331 . 32 ARG HB3 H 1.7880 0.02 2 332 . 32 ARG CG C 30.195 0.2 1 333 . 32 ARG HG3 H 1.7580 0.02 2 334 . 32 ARG HG2 H 1.6960 0.02 2 335 . 32 ARG CD C 43.182 0.2 1 336 . 32 ARG HD3 H 3.1070 0.02 2 337 . 32 ARG HD2 H 3.3290 0.02 2 338 . 32 ARG NE N 85.340 0.1 1 339 . 32 ARG HE H 7.1960 0.02 1 340 . 32 ARG C C 180.20 0.2 1 341 . 33 ALA N N 125.22 0.1 1 342 . 33 ALA H H 8.0000 0.02 1 343 . 33 ALA CA C 54.500 0.2 1 344 . 33 ALA HA H 4.1400 0.02 1 345 . 33 ALA CB C 18.500 0.2 1 346 . 33 ALA HB H 1.5600 0.02 1 347 . 33 ALA C C 179.30 0.2 1 348 . 34 ILE N N 109.00 0.1 1 349 . 34 ILE H H 7.2290 0.02 1 350 . 34 ILE CA C 61.400 0.2 1 351 . 34 ILE HA H 4.2280 0.02 1 352 . 34 ILE CB C 36.800 0.2 1 353 . 34 ILE HB H 2.0580 0.02 1 354 . 34 ILE CG1 C 25.870 0.2 1 355 . 34 ILE HG13 H 1.2420 0.02 2 356 . 34 ILE HG12 H 1.0880 0.02 2 357 . 34 ILE CD1 C 14.970 0.2 1 358 . 34 ILE HD1 H 0.7320 0.02 1 359 . 34 ILE CG2 C 17.115 0.2 1 360 . 34 ILE HG2 H 0.4510 0.02 1 361 . 34 ILE C C 175.80 0.2 1 362 . 35 GLY N N 107.38 0.1 1 363 . 35 GLY H H 7.2900 0.02 1 364 . 35 GLY CA C 45.181 0.2 1 365 . 35 GLY HA3 H 4.1260 0.02 2 366 . 35 GLY HA2 H 3.4830 0.02 2 367 . 35 GLY C C 174.50 0.2 1 368 . 36 TYR N N 119.05 0.1 1 369 . 36 TYR H H 7.8440 0.02 1 370 . 36 TYR CA C 56.940 0.2 1 371 . 36 TYR HA H 4.6200 0.02 1 372 . 36 TYR CB C 39.130 0.2 1 373 . 36 TYR HB3 H 2.3480 0.02 2 374 . 36 TYR HB2 H 2.8120 0.02 2 375 . 36 TYR CD1 C 132.55 0.2 1 376 . 36 TYR HD1 H 6.8960 0.02 1 377 . 36 TYR CE1 C 117.75 0.2 1 378 . 36 TYR HE1 H 6.6690 0.02 1 379 . 36 TYR CE2 C 117.75 0.2 1 380 . 36 TYR HE2 H 6.6690 0.02 1 381 . 36 TYR CD2 C 132.55 0.2 1 382 . 36 TYR HD2 H 6.8960 0.02 1 383 . 36 TYR C C 173.00 0.2 1 384 . 37 ASN N N 114.77 0.1 1 385 . 37 ASN H H 8.2750 0.02 1 386 . 37 ASN CA C 51.400 0.2 1 387 . 37 ASN HA H 5.2630 0.02 1 388 . 37 ASN CB C 39.320 0.2 1 389 . 37 ASN HB3 H 2.8100 0.02 2 390 . 37 ASN HB2 H 2.5370 0.02 2 391 . 37 ASN CG C 177.99 0.2 1 392 . 37 ASN ND2 N 113.64 0.1 1 393 . 37 ASN HD21 H 7.5490 0.02 2 394 . 37 ASN HD22 H 6.8190 0.02 2 395 . 37 ASN C C 171.80 0.2 1 396 . 38 PRO CA C 62.300 0.2 1 397 . 38 PRO HA H 4.6670 0.02 1 398 . 38 PRO CB C 32.000 0.2 1 399 . 38 PRO HB3 H 2.1640 0.02 2 400 . 38 PRO HB2 H 1.7200 0.02 2 401 . 38 PRO CG C 26.296 0.2 1 402 . 38 PRO HG3 H 1.9290 0.02 2 403 . 38 PRO HG2 H 1.6120 0.02 2 404 . 38 PRO CD C 49.230 0.2 1 405 . 38 PRO HD3 H 3.4700 0.02 2 406 . 38 PRO HD2 H 3.2070 0.02 2 407 . 38 PRO C C 177.09 0.2 1 408 . 39 THR N N 112.47 0.1 1 409 . 39 THR H H 7.7980 0.02 1 410 . 39 THR CA C 60.400 0.2 1 411 . 39 THR HA H 4.3650 0.02 1 412 . 39 THR CB C 70.638 0.2 1 413 . 39 THR HB H 4.6560 0.02 1 414 . 39 THR CG2 C 21.830 0.2 1 415 . 39 THR HG2 H 1.3550 0.02 1 416 . 39 THR C C 175.20 0.2 1 417 . 40 ASN N N 120.83 0.1 1 418 . 40 ASN H H 9.0610 0.02 1 419 . 40 ASN CA C 55.969 0.2 1 420 . 40 ASN HA H 4.3090 0.02 1 421 . 40 ASN CB C 37.035 0.2 1 422 . 40 ASN HB3 H 2.7490 0.02 1 423 . 40 ASN HB2 H 2.7490 0.02 1 424 . 40 ASN CG C 175.96 0.2 1 425 . 40 ASN ND2 N 114.02 0.1 1 426 . 40 ASN HD21 H 7.6780 0.02 2 427 . 40 ASN HD22 H 7.0200 0.02 2 428 . 40 ASN C C 177.85 0.2 1 429 . 41 GLN CA C 58.500 0.2 1 430 . 41 GLN HA H 3.7880 0.02 1 431 . 41 GLN CB C 28.130 0.2 1 432 . 41 GLN HB3 H 1.8230 0.02 2 433 . 41 GLN HB2 H 2.0880 0.02 2 434 . 41 GLN CG C 33.350 0.2 1 435 . 41 GLN HG3 H 2.2920 0.02 1 436 . 41 GLN HG2 H 2.2920 0.02 1 437 . 41 GLN CD C 180.47 0.2 1 438 . 41 GLN NE2 N 116.69 0.1 1 439 . 41 GLN HE21 H 7.8560 0.02 2 440 . 41 GLN HE22 H 6.7800 0.02 2 441 . 41 GLN C C 176.30 0.2 1 442 . 42 LEU N N 121.39 0.1 1 443 . 42 LEU H H 7.5800 0.02 1 444 . 42 LEU CA C 57.800 0.2 1 445 . 42 LEU HA H 4.1360 0.02 1 446 . 42 LEU CB C 40.720 0.2 1 447 . 42 LEU HB3 H 1.7370 0.02 2 448 . 42 LEU HB2 H 1.5320 0.02 2 449 . 42 LEU CG C 27.270 0.2 1 450 . 42 LEU HG H 1.3790 0.02 1 451 . 42 LEU CD1 C 26.105 0.2 2 452 . 42 LEU HD1 H 0.7640 0.02 2 453 . 42 LEU CD2 C 23.152 0.2 2 454 . 42 LEU HD2 H 0.8770 0.02 2 455 . 42 LEU C C 178.00 0.2 1 456 . 43 VAL N N 117.08 0.1 1 457 . 43 VAL H H 7.4660 0.02 1 458 . 43 VAL CA C 67.400 0.2 1 459 . 43 VAL HA H 3.1220 0.02 1 460 . 43 VAL CB C 30.971 0.2 1 461 . 43 VAL HB H 2.1060 0.02 1 462 . 43 VAL CG2 C 23.703 0.2 2 463 . 43 VAL HG2 H 0.8540 0.02 2 464 . 43 VAL CG1 C 21.961 0.2 2 465 . 43 VAL HG1 H 0.8210 0.02 2 466 . 43 VAL C C 176.60 0.2 1 467 . 44 GLN N N 116.94 0.1 1 468 . 44 GLN H H 7.6980 0.02 1 469 . 44 GLN CA C 58.400 0.2 1 470 . 44 GLN HA H 3.8190 0.02 1 471 . 44 GLN CB C 28.000 0.2 1 472 . 44 GLN HB3 H 2.0240 0.02 1 473 . 44 GLN HB2 H 2.0240 0.02 1 474 . 44 GLN CG C 33.750 0.2 1 475 . 44 GLN HG3 H 2.3400 0.02 1 476 . 44 GLN HG2 H 2.3400 0.02 1 477 . 44 GLN CD C 180.20 0.2 1 478 . 44 GLN NE2 N 113.68 0.1 1 479 . 44 GLN HE21 H 7.3070 0.02 2 480 . 44 GLN HE22 H 6.7980 0.02 2 481 . 44 GLN C C 177.83 0.2 1 482 . 45 ASP N N 121.33 0.1 1 483 . 45 ASP H H 8.5410 0.02 1 484 . 45 ASP CA C 57.400 0.2 1 485 . 45 ASP HA H 4.2700 0.02 1 486 . 45 ASP CB C 39.710 0.2 1 487 . 45 ASP HB3 H 2.8630 0.02 2 488 . 45 ASP HB2 H 2.5250 0.02 2 489 . 45 ASP CG C 179.11 0.2 1 490 . 45 ASP C C 179.65 0.2 1 491 . 46 ILE N N 120.26 0.1 1 492 . 46 ILE H H 8.3280 0.02 1 493 . 46 ILE CA C 65.400 0.2 1 494 . 46 ILE HA H 3.7350 0.02 1 495 . 46 ILE CB C 37.500 0.2 1 496 . 46 ILE HB H 1.9420 0.02 1 497 . 46 ILE CG1 C 27.380 0.2 1 498 . 46 ILE HG13 H 1.6810 0.02 2 499 . 46 ILE HG12 H 1.1380 0.02 2 500 . 46 ILE CD1 C 13.220 0.2 1 501 . 46 ILE HD1 H 0.4970 0.02 1 502 . 46 ILE CG2 C 17.060 0.2 1 503 . 46 ILE HG2 H 0.7310 0.02 1 504 . 46 ILE C C 177.90 0.2 1 505 . 47 ILE N N 120.30 0.1 1 506 . 47 ILE H H 7.6160 0.02 1 507 . 47 ILE CA C 64.000 0.2 1 508 . 47 ILE HA H 3.6320 0.02 1 509 . 47 ILE CB C 37.740 0.2 1 510 . 47 ILE HB H 1.7770 0.02 1 511 . 47 ILE CG1 C 28.780 0.2 1 512 . 47 ILE HG13 H 1.6230 0.02 2 513 . 47 ILE HG12 H 0.8550 0.02 2 514 . 47 ILE CD1 C 13.635 0.2 1 515 . 47 ILE HD1 H 0.7220 0.02 1 516 . 47 ILE CG2 C 17.890 0.2 1 517 . 47 ILE HG2 H 0.7600 0.02 1 518 . 47 ILE C C 176.90 0.2 1 519 . 48 ASN N N 115.32 0.1 1 520 . 48 ASN H H 8.2390 0.02 1 521 . 48 ASN CA C 54.500 0.2 1 522 . 48 ASN HA H 4.3240 0.02 1 523 . 48 ASN CB C 38.100 0.2 1 524 . 48 ASN HB3 H 2.6850 0.02 2 525 . 48 ASN HB2 H 2.7640 0.02 2 526 . 48 ASN CG C 176.47 0.2 1 527 . 48 ASN ND2 N 112.77 0.1 1 528 . 48 ASN HD21 H 7.6340 0.02 2 529 . 48 ASN HD22 H 6.8230 0.02 2 530 . 48 ASN C C 176.40 0.2 1 531 . 49 ALA N N 120.41 0.1 1 532 . 49 ALA H H 7.2870 0.02 1 533 . 49 ALA CA C 53.100 0.2 1 534 . 49 ALA HA H 4.1370 0.02 1 535 . 49 ALA CB C 19.000 0.2 1 536 . 49 ALA HB H 1.4280 0.02 1 537 . 49 ALA C C 176.50 0.2 1 538 . 50 ASP N N 118.97 0.1 1 539 . 50 ASP H H 7.3290 0.02 1 540 . 50 ASP CA C 52.300 0.2 1 541 . 50 ASP HA H 4.8450 0.02 1 542 . 50 ASP CB C 42.500 0.2 1 543 . 50 ASP HB3 H 2.9220 0.02 2 544 . 50 ASP HB2 H 2.3670 0.02 2 545 . 50 ASP CG C 179.82 0.2 1 546 . 50 ASP C C 176.10 0.2 1 547 . 51 SER N N 122.57 0.1 1 548 . 51 SER H H 8.9020 0.02 1 549 . 51 SER CA C 61.410 0.2 1 550 . 51 SER HA H 3.9350 0.02 1 551 . 51 SER CB C 62.581 0.2 1 552 . 51 SER HB3 H 3.9250 0.02 1 553 . 51 SER HB2 H 3.9250 0.02 1 554 . 51 SER C C 175.50 0.2 1 555 . 52 SER N N 118.54 0.1 1 556 . 52 SER H H 8.5640 0.02 1 557 . 52 SER CA C 60.744 0.2 1 558 . 52 SER HA H 4.3370 0.02 1 559 . 52 SER CB C 63.000 0.2 1 560 . 52 SER HB3 H 3.8830 0.02 1 561 . 52 SER HB2 H 3.8830 0.02 1 562 . 52 SER C C 175.60 0.2 1 563 . 53 LEU N N 121.44 0.1 1 564 . 53 LEU H H 7.7330 0.02 1 565 . 53 LEU CA C 55.100 0.2 1 566 . 53 LEU HA H 4.3100 0.02 1 567 . 53 LEU CB C 41.840 0.2 1 568 . 53 LEU HB3 H 2.1180 0.02 2 569 . 53 LEU HB2 H 1.3380 0.02 2 570 . 53 LEU CG C 26.420 0.2 1 571 . 53 LEU HG H 1.5690 0.02 1 572 . 53 LEU CD1 C 26.558 0.2 2 573 . 53 LEU HD1 H 0.8740 0.02 2 574 . 53 LEU CD2 C 22.530 0.2 2 575 . 53 LEU HD2 H 0.6470 0.02 2 576 . 53 LEU C C 178.33 0.2 1 577 . 54 ARG N N 121.25 0.1 1 578 . 54 ARG H H 7.8300 0.02 1 579 . 54 ARG CA C 59.600 0.2 1 580 . 54 ARG HA H 3.7790 0.02 1 581 . 54 ARG CB C 30.351 0.2 1 582 . 54 ARG HB3 H 1.9040 0.02 2 583 . 54 ARG HB2 H 1.7990 0.02 2 584 . 54 ARG CG C 26.600 0.2 1 585 . 54 ARG HG3 H 1.7010 0.02 2 586 . 54 ARG HG2 H 1.5370 0.02 2 587 . 54 ARG CD C 43.471 0.2 1 588 . 54 ARG HD3 H 3.1710 0.02 1 589 . 54 ARG HD2 H 3.1710 0.02 1 590 . 54 ARG C C 176.80 0.2 1 591 . 55 ASP N N 115.90 0.1 1 592 . 55 ASP H H 7.9040 0.02 1 593 . 55 ASP CA C 53.800 0.2 1 594 . 55 ASP HA H 4.6900 0.02 1 595 . 55 ASP CB C 40.960 0.2 1 596 . 55 ASP HB3 H 2.4820 0.02 2 597 . 55 ASP HB2 H 2.7770 0.02 2 598 . 55 ASP CG C 180.25 0.2 1 599 . 55 ASP C C 175.60 0.2 1 600 . 56 ALA N N 124.28 0.1 1 601 . 56 ALA H H 7.2240 0.02 1 602 . 56 ALA CA C 52.100 0.2 1 603 . 56 ALA HA H 4.3990 0.02 1 604 . 56 ALA CB C 19.500 0.2 1 605 . 56 ALA HB H 1.5560 0.02 1 606 . 56 ALA C C 177.30 0.2 1 607 . 57 SER CA C 59.000 0.2 1 608 . 57 SER HA H 4.5710 0.02 1 609 . 57 SER CB C 63.800 0.2 1 610 . 57 SER HB3 H 3.9260 0.02 2 611 . 57 SER HB2 H 3.8790 0.02 2 612 . 57 SER C C 174.71 0.2 1 613 . 58 SER N N 118.29 0.1 1 614 . 58 SER H H 7.8960 0.02 1 615 . 58 SER CA C 56.700 0.2 1 616 . 58 SER HA H 5.0100 0.02 1 617 . 58 SER CB C 65.300 0.2 1 618 . 58 SER HB3 H 3.5790 0.02 2 619 . 58 SER HB2 H 3.3960 0.02 2 620 . 58 SER C C 171.28 0.2 1 621 . 59 LEU N N 119.72 0.1 1 622 . 59 LEU H H 9.1020 0.02 1 623 . 59 LEU CA C 52.900 0.2 1 624 . 59 LEU HA H 5.1430 0.02 1 625 . 59 LEU CB C 45.890 0.2 1 626 . 59 LEU HB3 H 1.5180 0.02 2 627 . 59 LEU HB2 H 1.3120 0.02 2 628 . 59 LEU CG C 27.230 0.2 1 629 . 59 LEU CD1 C 27.410 0.2 2 630 . 59 LEU HD1 H 0.7440 0.02 2 631 . 59 LEU CD2 C 24.920 0.2 2 632 . 59 LEU HD2 H 0.7810 0.02 2 633 . 59 LEU C C 176.10 0.2 1 634 . 60 THR N N 113.63 0.1 1 635 . 60 THR H H 8.8470 0.02 1 636 . 60 THR CA C 60.000 0.2 1 637 . 60 THR HA H 4.7930 0.02 1 638 . 60 THR CB C 70.980 0.2 1 639 . 60 THR HB H 4.6520 0.02 1 640 . 60 THR CG2 C 21.382 0.2 1 641 . 60 THR HG2 H 1.2640 0.02 1 642 . 60 THR C C 174.80 0.2 1 643 . 61 LEU N N 122.99 0.1 1 644 . 61 LEU H H 8.1860 0.02 1 645 . 61 LEU CA C 57.900 0.2 1 646 . 61 LEU HA H 3.4460 0.02 1 647 . 61 LEU CB C 39.400 0.2 1 648 . 61 LEU HB3 H 1.2110 0.02 2 649 . 61 LEU HB2 H -0.190 0.02 2 650 . 61 LEU CG C 26.284 0.2 1 651 . 61 LEU HG H 1.1160 0.02 1 652 . 61 LEU CD1 C 25.770 0.2 2 653 . 61 LEU HD1 H 0.5080 0.02 2 654 . 61 LEU CD2 C 22.010 0.2 2 655 . 61 LEU HD2 H 0.4320 0.02 2 656 . 61 LEU C C 179.00 0.2 1 657 . 62 ASP N N 119.98 0.1 1 658 . 62 ASP H H 8.3310 0.02 1 659 . 62 ASP CA C 57.200 0.2 1 660 . 62 ASP HA H 4.2300 0.02 1 661 . 62 ASP CB C 40.070 0.2 1 662 . 62 ASP HB3 H 2.4150 0.02 2 663 . 62 ASP HB2 H 2.4920 0.02 2 664 . 62 ASP CG C 179.06 0.2 1 665 . 62 ASP C C 179.20 0.2 1 666 . 63 GLN N N 120.44 0.1 1 667 . 63 GLN H H 7.6290 0.02 1 668 . 63 GLN CA C 58.500 0.2 1 669 . 63 GLN HA H 3.9270 0.02 1 670 . 63 GLN CB C 28.250 0.2 1 671 . 63 GLN HB3 H 1.9590 0.02 1 672 . 63 GLN HB2 H 1.9590 0.02 1 673 . 63 GLN CG C 33.760 0.2 1 674 . 63 GLN HG3 H 2.3400 0.02 1 675 . 63 GLN HG2 H 2.3400 0.02 1 676 . 63 GLN NE2 N 110.65 0.1 1 677 . 63 GLN HE21 H 7.5430 0.02 2 678 . 63 GLN HE22 H 6.2890 0.02 2 679 . 63 GLN C C 179.44 0.2 1 680 . 64 ILE N N 121.83 0.1 1 681 . 64 ILE H H 8.2550 0.02 1 682 . 64 ILE CA C 65.600 0.2 1 683 . 64 ILE HA H 3.4570 0.02 1 684 . 64 ILE CB C 37.962 0.2 1 685 . 64 ILE HB H 1.7580 0.02 1 686 . 64 ILE CG1 C 30.096 0.2 1 687 . 64 ILE HG13 H 1.7840 0.02 2 688 . 64 ILE HG12 H 0.6120 0.02 2 689 . 64 ILE CD1 C 13.845 0.2 1 690 . 64 ILE HD1 H 0.4650 0.02 1 691 . 64 ILE CG2 C 17.709 0.2 1 692 . 64 ILE HG2 H 0.8440 0.02 1 693 . 64 ILE C C 176.70 0.2 1 694 . 65 THR N N 117.93 0.1 1 695 . 65 THR H H 8.8260 0.02 1 696 . 65 THR CA C 67.200 0.2 1 697 . 65 THR HA H 3.7100 0.02 1 698 . 65 THR CB C 68.235 0.2 1 699 . 65 THR HB H 4.2010 0.02 1 700 . 65 THR CG2 C 21.320 0.2 1 701 . 65 THR HG2 H 1.1310 0.02 1 702 . 65 THR C C 176.50 0.2 1 703 . 66 GLY N N 108.46 0.1 1 704 . 66 GLY H H 7.6980 0.02 1 705 . 66 GLY CA C 47.100 0.2 1 706 . 66 GLY HA3 H 3.8410 0.02 1 707 . 66 GLY HA2 H 3.8410 0.02 1 708 . 66 GLY C C 175.10 0.2 1 709 . 67 LEU N N 122.76 0.1 1 710 . 67 LEU H H 7.7030 0.02 1 711 . 67 LEU CA C 57.600 0.2 1 712 . 67 LEU HA H 4.0500 0.02 1 713 . 67 LEU CB C 41.750 0.2 1 714 . 67 LEU HB3 H 1.8070 0.02 2 715 . 67 LEU HB2 H 1.4610 0.02 2 716 . 67 LEU CG C 25.863 0.2 1 717 . 67 LEU HG H 1.9210 0.02 1 718 . 67 LEU CD1 C 25.423 0.2 2 719 . 67 LEU HD1 H 0.6900 0.02 2 720 . 67 LEU CD2 C 24.899 0.2 2 721 . 67 LEU HD2 H 0.7560 0.02 2 722 . 67 LEU C C 180.02 0.2 1 723 . 68 ILE N N 123.15 0.1 1 724 . 68 ILE H H 8.3330 0.02 1 725 . 68 ILE CA C 65.530 0.2 1 726 . 68 ILE HA H 3.2390 0.02 1 727 . 68 ILE CB C 37.760 0.2 1 728 . 68 ILE HB H 1.8400 0.02 1 729 . 68 ILE CG1 C 29.186 0.2 1 730 . 68 ILE HG13 H 1.8010 0.02 2 731 . 68 ILE HG12 H 0.5490 0.02 2 732 . 68 ILE CD1 C 15.253 0.2 1 733 . 68 ILE HD1 H 0.8660 0.02 1 734 . 68 ILE CG2 C 17.122 0.2 1 735 . 68 ILE HG2 H 0.8110 0.02 1 736 . 68 ILE C C 176.46 0.2 1 737 . 69 GLU N N 117.80 0.1 1 738 . 69 GLU H H 7.7650 0.02 1 739 . 69 GLU CA C 59.700 0.2 1 740 . 69 GLU HA H 3.8910 0.02 1 741 . 69 GLU CB C 29.516 0.2 1 742 . 69 GLU HB3 H 2.1520 0.02 2 743 . 69 GLU HB2 H 2.0480 0.02 2 744 . 69 GLU CG C 36.375 0.2 1 745 . 69 GLU HG3 H 2.3950 0.02 1 746 . 69 GLU HG2 H 2.3950 0.02 1 747 . 69 GLU C C 180.26 0.2 1 748 . 70 VAL N N 116.51 0.1 1 749 . 70 VAL H H 7.8300 0.02 1 750 . 70 VAL CA C 65.150 0.2 1 751 . 70 VAL HA H 3.8100 0.02 1 752 . 70 VAL CB C 32.310 0.2 1 753 . 70 VAL HB H 1.9810 0.02 1 754 . 70 VAL CG2 C 22.322 0.2 2 755 . 70 VAL HG2 H 1.0420 0.02 2 756 . 70 VAL CG1 C 21.247 0.2 2 757 . 70 VAL HG1 H 0.8610 0.02 2 758 . 70 VAL C C 176.95 0.2 1 759 . 71 ASN N N 116.92 0.1 1 760 . 71 ASN H H 7.3020 0.02 1 761 . 71 ASN CA C 53.200 0.2 1 762 . 71 ASN HA H 5.0530 0.02 1 763 . 71 ASN CB C 39.400 0.2 1 764 . 71 ASN HB3 H 2.3330 0.02 2 765 . 71 ASN HB2 H 2.7090 0.02 2 766 . 71 ASN CG C 177.41 0.2 1 767 . 71 ASN C C 174.60 0.2 1 768 . 72 GLU N N 123.38 0.1 1 769 . 72 GLU H H 7.0420 0.02 1 770 . 72 GLU CA C 61.300 0.2 1 771 . 72 GLU HA H 3.5360 0.02 1 772 . 72 GLU CB C 30.060 0.2 1 773 . 72 GLU HB3 H 2.3550 0.02 2 774 . 72 GLU HB2 H 1.9410 0.02 2 775 . 72 GLU CG C 36.008 0.2 1 776 . 72 GLU HG3 H 2.2930 0.02 2 777 . 72 GLU HG2 H 2.1870 0.02 2 778 . 72 GLU C C 177.38 0.2 1 779 . 73 LYS N N 118.27 0.1 1 780 . 73 LYS H H 8.3740 0.02 1 781 . 73 LYS CA C 59.600 0.2 1 782 . 73 LYS HA H 4.0200 0.02 1 783 . 73 LYS CB C 31.480 0.2 1 784 . 73 LYS HB3 H 1.8110 0.02 2 785 . 73 LYS HB2 H 1.7150 0.02 2 786 . 73 LYS CG C 24.820 0.2 1 787 . 73 LYS HG3 H 1.5030 0.02 2 788 . 73 LYS HG2 H 1.3410 0.02 2 789 . 73 LYS CD C 28.750 0.2 1 790 . 73 LYS HD3 H 1.6600 0.02 2 791 . 73 LYS CE C 41.670 0.2 1 792 . 73 LYS HE3 H 2.9800 0.02 2 793 . 73 LYS C C 179.60 0.2 1 794 . 74 GLU N N 120.39 0.1 1 795 . 74 GLU H H 8.2690 0.02 1 796 . 74 GLU CA C 59.500 0.2 1 797 . 74 GLU HA H 3.9910 0.02 1 798 . 74 GLU CB C 28.800 0.2 1 799 . 74 GLU HB3 H 2.0230 0.02 2 800 . 74 GLU HB2 H 1.8460 0.02 2 801 . 74 GLU CG C 37.205 0.2 1 802 . 74 GLU HG3 H 2.3390 0.02 2 803 . 74 GLU HG2 H 2.1750 0.02 2 804 . 74 GLU CD C 183.00 0.2 1 805 . 74 GLU C C 179.47 0.2 1 806 . 75 LEU N N 119.38 0.1 1 807 . 75 LEU H H 8.0160 0.02 1 808 . 75 LEU CA C 57.100 0.2 1 809 . 75 LEU HA H 3.7950 0.02 1 810 . 75 LEU CB C 39.840 0.2 1 811 . 75 LEU HB3 H 1.2700 0.02 2 812 . 75 LEU HB2 H 0.1500 0.02 2 813 . 75 LEU CG C 26.290 0.2 1 814 . 75 LEU HG H 1.2790 0.02 1 815 . 75 LEU CD1 C 26.320 0.2 2 816 . 75 LEU HD1 H 0.3450 0.02 2 817 . 75 LEU CD2 C 22.240 0.2 2 818 . 75 LEU HD2 H 0.3300 0.02 2 819 . 75 LEU C C 179.80 0.2 1 820 . 76 ASP N N 124.53 0.1 1 821 . 76 ASP H H 9.2990 0.02 1 822 . 76 ASP CA C 57.200 0.2 1 823 . 76 ASP HA H 4.6080 0.02 1 824 . 76 ASP CB C 40.460 0.2 1 825 . 76 ASP HB3 H 2.8760 0.02 2 826 . 76 ASP HB2 H 2.5960 0.02 2 827 . 76 ASP CG C 178.80 0.2 1 828 . 76 ASP C C 178.50 0.2 1 829 . 77 ALA N N 121.41 0.1 1 830 . 77 ALA H H 7.5740 0.02 1 831 . 77 ALA CA C 54.200 0.2 1 832 . 77 ALA HA H 4.1950 0.02 1 833 . 77 ALA CB C 18.100 0.2 1 834 . 77 ALA HB H 1.5260 0.02 1 835 . 77 ALA C C 178.70 0.2 1 836 . 78 THR N N 108.72 0.1 1 837 . 78 THR H H 7.7310 0.02 1 838 . 78 THR CA C 62.800 0.2 1 839 . 78 THR HA H 4.4270 0.02 1 840 . 78 THR CB C 69.353 0.2 1 841 . 78 THR HB H 4.3180 0.02 1 842 . 78 THR CG2 C 21.783 0.2 1 843 . 78 THR HG2 H 1.3190 0.02 1 844 . 78 THR C C 175.20 0.2 1 845 . 79 THR N N 115.20 0.1 1 846 . 79 THR H H 7.6890 0.02 1 847 . 79 THR CA C 62.500 0.2 1 848 . 79 THR HA H 4.3380 0.02 1 849 . 79 THR CB C 69.739 0.2 1 850 . 79 THR HB H 4.3420 0.02 1 851 . 79 THR CG2 C 22.083 0.2 1 852 . 79 THR HG2 H 1.3360 0.02 1 853 . 79 THR C C 174.30 0.2 1 854 . 80 LYS N N 123.14 0.1 1 855 . 80 LYS H H 7.8650 0.02 1 856 . 80 LYS CA C 56.200 0.2 1 857 . 80 LYS HA H 4.2930 0.02 1 858 . 80 LYS CB C 32.800 0.2 1 859 . 80 LYS HB3 H 1.7200 0.02 2 860 . 80 LYS HB2 H 1.8040 0.02 2 861 . 80 LYS CG C 24.660 0.2 1 862 . 80 LYS HG3 H 1.4090 0.02 1 863 . 80 LYS HG2 H 1.4090 0.02 1 864 . 80 LYS CD C 28.670 0.2 1 865 . 80 LYS HD3 H 1.6050 0.02 2 866 . 80 LYS CE C 41.720 0.2 1 867 . 80 LYS C C 176.25 0.2 1 868 . 81 ALA N N 125.38 0.1 1 869 . 81 ALA H H 8.2550 0.02 1 870 . 81 ALA CA C 52.700 0.2 1 871 . 81 ALA HA H 4.2140 0.02 1 872 . 81 ALA CB C 19.000 0.2 1 873 . 81 ALA HB H 1.3240 0.02 1 874 . 81 ALA C C 177.60 0.2 1 875 . 82 LYS N N 121.06 0.1 1 876 . 82 LYS H H 8.3590 0.02 1 877 . 82 LYS CA C 56.200 0.2 1 878 . 82 LYS HA H 4.3410 0.02 1 879 . 82 LYS CB C 32.600 0.2 1 880 . 82 LYS HB3 H 1.7490 0.02 1 881 . 82 LYS HB2 H 1.7490 0.02 1 882 . 82 LYS CG C 24.660 0.2 1 883 . 82 LYS HG3 H 1.3710 0.02 2 884 . 82 LYS HG2 H 1.3340 0.02 2 885 . 82 LYS CD C 28.670 0.2 1 886 . 82 LYS CE C 41.780 0.2 1 887 . 82 LYS HE3 H 2.9160 0.02 2 888 . 82 LYS C C 177.32 0.2 1 889 . 83 THR N N 117.02 0.1 1 890 . 83 THR H H 8.2130 0.02 1 891 . 83 THR CA C 64.640 0.2 1 892 . 83 THR HA H 4.0150 0.02 1 893 . 83 THR CB C 69.005 0.2 1 894 . 83 THR HB H 4.1480 0.02 1 895 . 83 THR CG2 C 21.944 0.2 1 896 . 83 THR HG2 H 1.1550 0.02 1 897 . 83 THR C C 175.33 0.2 1 898 . 84 GLU N N 122.03 0.1 1 899 . 84 GLU H H 8.6310 0.02 1 900 . 84 GLU CA C 58.200 0.2 1 901 . 84 GLU HA H 4.0740 0.02 1 902 . 84 GLU CB C 29.460 0.2 1 903 . 84 GLU HB3 H 1.9110 0.02 1 904 . 84 GLU HB2 H 1.9110 0.02 1 905 . 84 GLU CG C 36.190 0.2 1 906 . 84 GLU HG3 H 2.2000 0.02 1 907 . 84 GLU HG2 H 2.2000 0.02 1 908 . 84 GLU CD C 183.10 0.2 1 909 . 84 GLU C C 177.19 0.2 1 910 . 85 ASP N N 120.71 0.1 1 911 . 85 ASP H H 7.9470 0.02 1 912 . 85 ASP CA C 55.700 0.2 1 913 . 85 ASP HA H 4.4380 0.02 1 914 . 85 ASP CB C 40.129 0.2 1 915 . 85 ASP HB3 H 2.5010 0.02 2 916 . 85 ASP HB2 H 2.6140 0.02 2 917 . 85 ASP CG C 179.79 0.2 1 918 . 85 ASP C C 177.90 0.2 1 919 . 86 PHE N N 121.77 0.1 1 920 . 86 PHE H H 7.9720 0.02 1 921 . 86 PHE CA C 60.100 0.2 1 922 . 86 PHE HA H 4.3170 0.02 1 923 . 86 PHE CB C 39.240 0.2 1 924 . 86 PHE HB3 H 3.2010 0.02 2 925 . 86 PHE HB2 H 3.0660 0.02 2 926 . 86 PHE HD1 H 7.1370 0.02 1 927 . 86 PHE HE1 H 6.9090 0.02 1 928 . 86 PHE HE2 H 6.9090 0.02 1 929 . 86 PHE HD2 H 7.1370 0.02 1 930 . 86 PHE C C 176.80 0.2 1 931 . 87 VAL N N 119.36 0.1 1 932 . 87 VAL H H 8.1720 0.02 1 933 . 87 VAL CA C 66.900 0.2 1 934 . 87 VAL HA H 3.6230 0.02 1 935 . 87 VAL CB C 31.640 0.2 1 936 . 87 VAL HB H 2.2190 0.02 1 937 . 87 VAL CG2 C 23.226 0.2 2 938 . 87 VAL HG2 H 1.1310 0.02 2 939 . 87 VAL CG1 C 21.391 0.2 2 940 . 87 VAL HG1 H 1.0070 0.02 2 941 . 87 VAL C C 177.90 0.2 1 942 . 88 LYS N N 119.59 0.1 1 943 . 88 LYS H H 7.8200 0.02 1 944 . 88 LYS CA C 58.800 0.2 1 945 . 88 LYS HA H 4.0470 0.02 1 946 . 88 LYS CB C 31.900 0.2 1 947 . 88 LYS HB3 H 1.8070 0.02 1 948 . 88 LYS HB2 H 1.8070 0.02 1 949 . 88 LYS CG C 25.070 0.2 1 950 . 88 LYS HG3 H 1.5950 0.02 2 951 . 88 LYS HG2 H 1.3760 0.02 2 952 . 88 LYS CD C 28.860 0.2 1 953 . 88 LYS HD3 H 1.3890 0.02 2 954 . 88 LYS HD2 H 1.2900 0.02 2 955 . 88 LYS CE C 41.730 0.2 1 956 . 88 LYS HE3 H 2.8660 0.02 2 957 . 88 LYS C C 178.30 0.2 1 958 . 89 ALA N N 121.68 0.1 1 959 . 89 ALA H H 7.4950 0.02 1 960 . 89 ALA CA C 54.400 0.2 1 961 . 89 ALA HA H 4.0460 0.02 1 962 . 89 ALA CB C 18.100 0.2 1 963 . 89 ALA HB H 1.3290 0.02 1 964 . 89 ALA C C 179.30 0.2 1 965 . 90 PHE N N 115.92 0.1 1 966 . 90 PHE H H 7.7620 0.02 1 967 . 90 PHE CA C 60.800 0.2 1 968 . 90 PHE HA H 4.0890 0.02 1 969 . 90 PHE CB C 38.490 0.2 1 970 . 90 PHE HB3 H 2.5690 0.02 2 971 . 90 PHE HB2 H 1.9520 0.02 2 972 . 90 PHE HD1 H 7.0750 0.02 1 973 . 90 PHE HE1 H 6.8520 0.02 1 974 . 90 PHE HE2 H 6.8520 0.02 1 975 . 90 PHE HD2 H 7.0750 0.02 1 976 . 90 PHE C C 177.50 0.2 1 977 . 91 GLN N N 119.13 0.1 1 978 . 91 GLN H H 7.9870 0.02 1 979 . 91 GLN CA C 58.600 0.2 1 980 . 91 GLN HA H 3.9540 0.02 1 981 . 91 GLN CB C 28.100 0.2 1 982 . 91 GLN HB3 H 2.1860 0.02 2 983 . 91 GLN HB2 H 2.0660 0.02 2 984 . 91 GLN CG C 34.560 0.2 1 985 . 91 GLN HG3 H 2.6400 0.02 2 986 . 91 GLN HG2 H 2.5020 0.02 2 987 . 91 GLN CD C 180.15 0.2 1 988 . 91 GLN NE2 N 111.90 0.1 1 989 . 91 GLN HE21 H 7.4130 0.02 2 990 . 91 GLN HE22 H 6.7500 0.02 2 991 . 91 GLN C C 177.50 0.2 1 992 . 92 VAL N N 117.47 0.1 1 993 . 92 VAL H H 7.1350 0.02 1 994 . 92 VAL CA C 64.500 0.2 1 995 . 92 VAL HA H 3.5830 0.02 1 996 . 92 VAL CB C 31.634 0.2 1 997 . 92 VAL HB H 1.7210 0.02 1 998 . 92 VAL CG2 C 21.480 0.2 2 999 . 92 VAL HG2 H 0.7400 0.02 2 1000 . 92 VAL CG1 C 20.447 0.2 2 1001 . 92 VAL HG1 H 0.4130 0.02 2 1002 . 92 VAL C C 176.30 0.2 1 1003 . 93 PHE N N 118.11 0.1 1 1004 . 93 PHE H H 7.1940 0.02 1 1005 . 93 PHE CA C 58.300 0.2 1 1006 . 93 PHE HA H 4.4730 0.02 1 1007 . 93 PHE CB C 39.880 0.2 1 1008 . 93 PHE HB3 H 3.3890 0.02 2 1009 . 93 PHE HB2 H 2.7850 0.02 2 1010 . 93 PHE C C 175.20 0.2 1 1011 . 94 ASP N N 121.43 0.1 1 1012 . 94 ASP H H 7.8950 0.02 1 1013 . 94 ASP CA C 52.100 0.2 1 1014 . 94 ASP HA H 5.0940 0.02 1 1015 . 94 ASP CB C 39.990 0.2 1 1016 . 94 ASP HB3 H 2.6640 0.02 2 1017 . 94 ASP HB2 H 2.9320 0.02 2 1018 . 94 ASP CG C 181.05 0.2 1 1019 . 94 ASP C C 176.50 0.2 1 1020 . 95 LYS N N 124.28 0.1 1 1021 . 95 LYS H H 8.2340 0.02 1 1022 . 95 LYS CA C 59.000 0.2 1 1023 . 95 LYS HA H 4.0600 0.02 1 1024 . 95 LYS CB C 32.200 0.2 1 1025 . 95 LYS HB3 H 1.8410 0.02 1 1026 . 95 LYS HB2 H 1.8410 0.02 1 1027 . 95 LYS CG C 24.900 0.2 1 1028 . 95 LYS HG3 H 1.4720 0.02 2 1029 . 95 LYS CD C 28.720 0.2 1 1030 . 95 LYS HD3 H 1.6500 0.02 2 1031 . 95 LYS CE C 41.770 0.2 1 1032 . 95 LYS HE3 H 2.9400 0.02 2 1033 . 95 LYS C C 178.20 0.2 1 1034 . 96 GLU N N 116.91 0.1 1 1035 . 96 GLU H H 8.7750 0.02 1 1036 . 96 GLU CA C 55.500 0.2 1 1037 . 96 GLU HA H 4.4310 0.02 1 1038 . 96 GLU CB C 28.970 0.2 1 1039 . 96 GLU HB3 H 1.8920 0.02 2 1040 . 96 GLU HB2 H 2.2540 0.02 2 1041 . 96 GLU CG C 36.300 0.2 1 1042 . 96 GLU HG3 H 2.1550 0.02 2 1043 . 96 GLU HG2 H 2.2490 0.02 2 1044 . 96 GLU CD C 183.60 0.2 1 1045 . 96 GLU C C 175.40 0.2 1 1046 . 97 SER N N 115.33 0.1 1 1047 . 97 SER H H 7.9230 0.02 1 1048 . 97 SER CA C 58.740 0.2 1 1049 . 97 SER HA H 4.0650 0.02 1 1050 . 97 SER CB C 61.000 0.2 1 1051 . 97 SER HB3 H 3.9260 0.02 2 1052 . 97 SER HB2 H 4.0010 0.02 2 1053 . 97 SER C C 175.00 0.2 1 1054 . 98 THR N N 114.77 0.1 1 1055 . 98 THR H H 9.8250 0.02 1 1056 . 98 THR CA C 62.400 0.2 1 1057 . 98 THR HA H 4.2370 0.02 1 1058 . 98 THR CB C 70.631 0.2 1 1059 . 98 THR HB H 4.2390 0.02 1 1060 . 98 THR CG2 C 22.134 0.2 1 1061 . 98 THR HG2 H 1.1910 0.02 1 1062 . 98 THR C C 177.00 0.2 1 1063 . 99 GLY N N 113.31 0.1 1 1064 . 99 GLY H H 10.040 0.02 1 1065 . 99 GLY CA C 45.095 0.2 1 1066 . 99 GLY HA3 H 3.9770 0.02 2 1067 . 99 GLY HA2 H 3.0570 0.02 2 1068 . 99 GLY C C 172.70 0.2 1 1069 . 100 LYS N N 120.94 0.1 1 1070 . 100 LYS H H 7.8850 0.02 1 1071 . 100 LYS CA C 53.800 0.2 1 1072 . 100 LYS HA H 5.4640 0.02 1 1073 . 100 LYS CB C 36.280 0.2 1 1074 . 100 LYS HB3 H 1.5640 0.02 1 1075 . 100 LYS HB2 H 1.5640 0.02 1 1076 . 100 LYS CG C 24.700 0.2 1 1077 . 100 LYS HG3 H 1.2730 0.02 2 1078 . 100 LYS HG2 H 1.0470 0.02 2 1079 . 100 LYS CD C 28.490 0.2 1 1080 . 100 LYS HD3 H 1.4790 0.02 2 1081 . 100 LYS HD2 H 1.4070 0.02 2 1082 . 100 LYS CE C 42.060 0.2 1 1083 . 100 LYS HE3 H 2.8010 0.02 2 1084 . 100 LYS HE2 H 2.8290 0.02 2 1085 . 100 LYS C C 175.50 0.2 1 1086 . 101 VAL N N 112.55 0.1 1 1087 . 101 VAL H H 8.3480 0.02 1 1088 . 101 VAL CA C 58.600 0.2 1 1089 . 101 VAL HA H 4.8100 0.02 1 1090 . 101 VAL CB C 36.165 0.2 1 1091 . 101 VAL HB H 2.3550 0.02 1 1092 . 101 VAL CG2 C 22.746 0.2 2 1093 . 101 VAL HG2 H 0.9980 0.02 2 1094 . 101 VAL CG1 C 19.670 0.2 2 1095 . 101 VAL HG1 H 0.9050 0.02 2 1096 . 101 VAL C C 174.10 0.2 1 1097 . 102 SER N N 119.96 0.1 1 1098 . 102 SER H H 9.3270 0.02 1 1099 . 102 SER CA C 57.800 0.2 1 1100 . 102 SER HA H 4.6220 0.02 1 1101 . 102 SER CB C 64.380 0.2 1 1102 . 102 SER HB3 H 4.0820 0.02 2 1103 . 102 SER HB2 H 4.2260 0.02 2 1104 . 102 SER C C 175.20 0.2 1 1105 . 103 VAL N N 121.61 0.1 1 1106 . 103 VAL H H 8.2370 0.02 1 1107 . 103 VAL CA C 66.100 0.2 1 1108 . 103 VAL HA H 3.5130 0.02 1 1109 . 103 VAL CB C 31.565 0.2 1 1110 . 103 VAL HB H 1.9040 0.02 1 1111 . 103 VAL CG2 C 22.463 0.2 2 1112 . 103 VAL HG2 H 0.9230 0.02 2 1113 . 103 VAL CG1 C 20.862 0.2 2 1114 . 103 VAL HG1 H 0.8640 0.02 2 1115 . 103 VAL C C 177.30 0.2 1 1116 . 104 GLY N N 108.06 0.1 1 1117 . 104 GLY H H 8.4740 0.02 1 1118 . 104 GLY CA C 46.750 0.2 1 1119 . 104 GLY HA3 H 3.6610 0.02 2 1120 . 104 GLY HA2 H 3.7740 0.02 2 1121 . 104 GLY C C 176.30 0.2 1 1122 . 105 ASP N N 124.29 0.1 1 1123 . 105 ASP H H 7.6490 0.02 1 1124 . 105 ASP CA C 56.700 0.2 1 1125 . 105 ASP HA H 4.3170 0.02 1 1126 . 105 ASP CB C 39.590 0.2 1 1127 . 105 ASP HB3 H 2.5850 0.02 2 1128 . 105 ASP HB2 H 1.8220 0.02 2 1129 . 105 ASP CG C 178.58 0.2 1 1130 . 105 ASP C C 177.50 0.2 1 1131 . 106 LEU N N 122.37 0.1 1 1132 . 106 LEU H H 7.9950 0.02 1 1133 . 106 LEU CA C 58.230 0.2 1 1134 . 106 LEU HA H 3.8530 0.02 1 1135 . 106 LEU CB C 41.000 0.2 1 1136 . 106 LEU HB3 H 1.8900 0.02 2 1137 . 106 LEU HB2 H 1.2930 0.02 2 1138 . 106 LEU CG C 26.858 0.2 1 1139 . 106 LEU HG H 1.4670 0.02 1 1140 . 106 LEU CD1 C 25.940 0.2 2 1141 . 106 LEU HD1 H 0.2630 0.02 2 1142 . 106 LEU CD2 C 23.789 0.2 2 1143 . 106 LEU HD2 H 0.4830 0.02 2 1144 . 106 LEU C C 177.80 0.2 1 1145 . 107 ARG N N 118.18 0.1 1 1146 . 107 ARG H H 8.3470 0.02 1 1147 . 107 ARG CA C 60.500 0.2 1 1148 . 107 ARG HA H 3.6000 0.02 1 1149 . 107 ARG CB C 29.657 0.2 1 1150 . 107 ARG HB3 H 1.8380 0.02 1 1151 . 107 ARG HB2 H 1.8380 0.02 1 1152 . 107 ARG CG C 28.470 0.2 1 1153 . 107 ARG CD C 42.689 0.2 1 1154 . 107 ARG HD3 H 3.1830 0.02 2 1155 . 107 ARG HD2 H 3.0350 0.02 2 1156 . 107 ARG C C 178.30 0.2 1 1157 . 108 TYR N N 120.51 0.1 1 1158 . 108 TYR H H 7.7270 0.02 1 1159 . 108 TYR CA C 60.800 0.2 1 1160 . 108 TYR HA H 4.1160 0.02 1 1161 . 108 TYR CB C 37.840 0.2 1 1162 . 108 TYR HB3 H 3.0290 0.02 1 1163 . 108 TYR HB2 H 3.0290 0.02 1 1164 . 108 TYR CD1 C 133.01 0.2 1 1165 . 108 TYR HD1 H 7.0110 0.02 1 1166 . 108 TYR CE1 C 118.08 0.2 1 1167 . 108 TYR HE1 H 6.7570 0.02 1 1168 . 108 TYR CE2 C 118.08 0.2 1 1169 . 108 TYR HE2 H 6.7570 0.02 1 1170 . 108 TYR CD2 C 133.01 0.2 1 1171 . 108 TYR HD2 H 7.0110 0.02 1 1172 . 108 TYR C C 178.00 0.2 1 1173 . 109 MET N N 120.77 0.1 1 1174 . 109 MET H H 8.1750 0.02 1 1175 . 109 MET CA C 58.200 0.2 1 1176 . 109 MET HA H 3.7550 0.02 1 1177 . 109 MET CB C 32.360 0.2 1 1178 . 109 MET HB3 H 1.8190 0.02 2 1179 . 109 MET HB2 H 1.7830 0.02 2 1180 . 109 MET CG C 32.030 0.2 1 1181 . 109 MET HG3 H 2.0060 0.02 1 1182 . 109 MET HG2 H 2.0060 0.02 1 1183 . 109 MET CE C 16.957 0.2 1 1184 . 109 MET HE H 1.1510 0.02 1 1185 . 109 MET C C 178.40 0.2 1 1186 . 110 LEU N N 117.81 0.1 1 1187 . 110 LEU H H 8.1530 0.02 1 1188 . 110 LEU CA C 57.100 0.2 1 1189 . 110 LEU HA H 4.0570 0.02 1 1190 . 110 LEU CB C 42.350 0.2 1 1191 . 110 LEU HB3 H 1.3620 0.02 2 1192 . 110 LEU HB2 H 1.8490 0.02 2 1193 . 110 LEU CG C 26.720 0.2 1 1194 . 110 LEU HG H 1.5260 0.02 1 1195 . 110 LEU CD1 C 26.630 0.2 2 1196 . 110 LEU HD1 H 0.8220 0.02 2 1197 . 110 LEU CD2 C 22.690 0.2 2 1198 . 110 LEU HD2 H 0.8710 0.02 2 1199 . 110 LEU C C 178.40 0.2 1 1200 . 111 THR N N 110.67 0.1 1 1201 . 111 THR H H 7.8290 0.02 1 1202 . 111 THR CA C 63.800 0.2 1 1203 . 111 THR HA H 4.3040 0.02 1 1204 . 111 THR CB C 69.736 0.2 1 1205 . 111 THR HB H 4.2080 0.02 1 1206 . 111 THR CG2 C 21.365 0.2 1 1207 . 111 THR HG2 H 1.1660 0.02 1 1208 . 111 THR C C 176.10 0.2 1 1209 . 112 GLY N N 110.18 0.1 1 1210 . 112 GLY H H 7.7280 0.02 1 1211 . 112 GLY CA C 45.330 0.2 1 1212 . 112 GLY HA3 H 4.0630 0.02 2 1213 . 112 GLY HA2 H 3.5840 0.02 2 1214 . 112 GLY C C 174.10 0.2 1 1215 . 113 LEU N N 121.19 0.1 1 1216 . 113 LEU H H 7.4380 0.02 1 1217 . 113 LEU CA C 55.000 0.2 1 1218 . 113 LEU HA H 4.2970 0.02 1 1219 . 113 LEU CB C 42.520 0.2 1 1220 . 113 LEU HB3 H 1.7370 0.02 2 1221 . 113 LEU HB2 H 1.5200 0.02 2 1222 . 113 LEU CG C 26.230 0.2 1 1223 . 113 LEU HG H 1.6610 0.02 1 1224 . 113 LEU CD1 C 25.370 0.2 2 1225 . 113 LEU HD1 H 0.7410 0.02 2 1226 . 113 LEU CD2 C 23.070 0.2 2 1227 . 113 LEU HD2 H 0.7230 0.02 2 1228 . 113 LEU C C 177.40 0.2 1 1229 . 114 GLY N N 108.68 0.1 1 1230 . 114 GLY H H 8.2220 0.02 1 1231 . 114 GLY CA C 45.900 0.2 1 1232 . 114 GLY HA3 H 3.8620 0.02 2 1233 . 114 GLY HA2 H 3.7880 0.02 2 1234 . 114 GLY C C 174.30 0.2 1 1235 . 115 GLU N N 122.35 0.1 1 1236 . 115 GLU H H 8.1570 0.02 1 1237 . 115 GLU CA C 56.500 0.2 1 1238 . 115 GLU HA H 4.1830 0.02 1 1239 . 115 GLU CB C 29.400 0.2 1 1240 . 115 GLU HB3 H 2.0250 0.02 2 1241 . 115 GLU HB2 H 1.8270 0.02 2 1242 . 115 GLU CG C 36.180 0.2 1 1243 . 115 GLU HG3 H 2.1900 0.02 1 1244 . 115 GLU HG2 H 2.1900 0.02 1 1245 . 115 GLU CD C 183.40 0.2 1 1246 . 115 GLU C C 175.70 0.2 1 1247 . 116 LYS N N 120.18 0.1 1 1248 . 116 LYS H H 8.1040 0.02 1 1249 . 116 LYS CA C 56.700 0.2 1 1250 . 116 LYS HA H 4.0270 0.02 1 1251 . 116 LYS CB C 31.130 0.2 1 1252 . 116 LYS HB3 H 1.7460 0.02 1 1253 . 116 LYS HB2 H 1.7460 0.02 1 1254 . 116 LYS CG C 24.600 0.2 1 1255 . 116 LYS HG3 H 1.1720 0.02 2 1256 . 116 LYS HG2 H 1.2730 0.02 2 1257 . 116 LYS CD C 28.700 0.2 1 1258 . 116 LYS HD3 H 1.5880 0.02 2 1259 . 116 LYS CE C 41.700 0.2 1 1260 . 116 LYS HE3 H 2.9500 0.02 2 1261 . 116 LYS C C 175.70 0.2 1 1262 . 117 LEU N N 122.94 0.1 1 1263 . 117 LEU H H 7.8920 0.02 1 1264 . 117 LEU CA C 54.200 0.2 1 1265 . 117 LEU HA H 4.5440 0.02 1 1266 . 117 LEU CB C 43.860 0.2 1 1267 . 117 LEU HB3 H 1.4190 0.02 2 1268 . 117 LEU HB2 H 1.4470 0.02 2 1269 . 117 LEU CG C 27.204 0.2 1 1270 . 117 LEU HG H 1.6170 0.02 1 1271 . 117 LEU CD1 C 26.140 0.2 2 1272 . 117 LEU HD1 H 0.7660 0.02 2 1273 . 117 LEU CD2 C 23.490 0.2 2 1274 . 117 LEU HD2 H 0.7300 0.02 2 1275 . 117 LEU C C 177.30 0.2 1 1276 . 118 THR N N 113.63 0.1 1 1277 . 118 THR H H 8.8720 0.02 1 1278 . 118 THR CA C 60.400 0.2 1 1279 . 118 THR HA H 4.4100 0.02 1 1280 . 118 THR CB C 71.100 0.2 1 1281 . 118 THR HB H 4.6010 0.02 1 1282 . 118 THR CG2 C 21.620 0.2 1 1283 . 118 THR HG2 H 1.2660 0.02 1 1284 . 118 THR C C 175.10 0.2 1 1285 . 119 ASP N N 121.42 0.1 1 1286 . 119 ASP H H 8.6760 0.02 1 1287 . 119 ASP CA C 57.900 0.2 1 1288 . 119 ASP HA H 4.1570 0.02 1 1289 . 119 ASP CB C 40.069 0.2 1 1290 . 119 ASP HB3 H 2.6280 0.02 2 1291 . 119 ASP HB2 H 2.5120 0.02 2 1292 . 119 ASP CG C 179.80 0.2 1 1293 . 119 ASP C C 177.70 0.2 1 1294 . 120 ALA N N 121.06 0.1 1 1295 . 120 ALA H H 8.1550 0.02 1 1296 . 120 ALA CA C 54.600 0.2 1 1297 . 120 ALA HA H 4.1160 0.02 1 1298 . 120 ALA CB C 18.100 0.2 1 1299 . 120 ALA HB H 1.3620 0.02 1 1300 . 120 ALA C C 180.60 0.2 1 1301 . 121 GLU N N 120.01 0.1 1 1302 . 121 GLU H H 7.6790 0.02 1 1303 . 121 GLU CA C 58.900 0.2 1 1304 . 121 GLU HA H 3.9510 0.02 1 1305 . 121 GLU CB C 30.330 0.2 1 1306 . 121 GLU HB3 H 2.3590 0.02 2 1307 . 121 GLU HB2 H 1.9010 0.02 2 1308 . 121 GLU CG C 37.731 0.2 1 1309 . 121 GLU HG3 H 2.2080 0.02 2 1310 . 121 GLU HG2 H 2.2770 0.02 2 1311 . 121 GLU CD C 183.20 0.2 1 1312 . 121 GLU C C 179.60 0.2 1 1313 . 122 VAL N N 122.37 0.1 1 1314 . 122 VAL H H 8.2100 0.02 1 1315 . 122 VAL CA C 67.200 0.2 1 1316 . 122 VAL HA H 3.4200 0.02 1 1317 . 122 VAL CB C 31.290 0.2 1 1318 . 122 VAL HB H 2.1460 0.02 1 1319 . 122 VAL CG2 C 21.962 0.2 2 1320 . 122 VAL HG2 H 0.8210 0.02 2 1321 . 122 VAL CG1 C 24.405 0.2 2 1322 . 122 VAL HG1 H 0.9090 0.02 2 1323 . 122 VAL C C 176.90 0.2 1 1324 . 123 ASP N N 119.79 0.1 1 1325 . 123 ASP H H 8.2660 0.02 1 1326 . 123 ASP CA C 57.500 0.2 1 1327 . 123 ASP HA H 4.1890 0.02 1 1328 . 123 ASP CB C 39.700 0.2 1 1329 . 123 ASP HB3 H 2.5220 0.02 2 1330 . 123 ASP HB2 H 2.7840 0.02 2 1331 . 123 ASP CG C 179.80 0.2 1 1332 . 123 ASP C C 179.10 0.2 1 1333 . 124 GLU N N 118.89 0.1 1 1334 . 124 GLU H H 7.4770 0.02 1 1335 . 124 GLU CA C 58.900 0.2 1 1336 . 124 GLU HA H 3.9750 0.02 1 1337 . 124 GLU CB C 29.290 0.2 1 1338 . 124 GLU HB3 H 2.0450 0.02 1 1339 . 124 GLU HB2 H 2.0450 0.02 1 1340 . 124 GLU CG C 35.510 0.2 1 1341 . 124 GLU HG3 H 2.2650 0.02 2 1342 . 124 GLU HG2 H 2.3040 0.02 2 1343 . 124 GLU CD C 183.20 0.2 1 1344 . 124 GLU C C 179.05 0.2 1 1345 . 125 LEU N N 121.10 0.1 1 1346 . 125 LEU H H 7.7820 0.02 1 1347 . 125 LEU CA C 57.400 0.2 1 1348 . 125 LEU HA H 4.0490 0.02 1 1349 . 125 LEU CB C 42.370 0.2 1 1350 . 125 LEU HB3 H 2.0060 0.02 2 1351 . 125 LEU HB2 H 1.4990 0.02 2 1352 . 125 LEU CG C 26.633 0.2 1 1353 . 125 LEU HG H 1.8460 0.02 1 1354 . 125 LEU CD1 C 25.920 0.2 2 1355 . 125 LEU HD1 H 0.8220 0.02 2 1356 . 125 LEU CD2 C 23.420 0.2 2 1357 . 125 LEU HD2 H 0.7550 0.02 2 1358 . 125 LEU C C 178.70 0.2 1 1359 . 126 LEU N N 116.51 0.1 1 1360 . 126 LEU H H 7.8300 0.02 1 1361 . 126 LEU CA C 55.500 0.2 1 1362 . 126 LEU HA H 4.1020 0.02 1 1363 . 126 LEU CB C 41.560 0.2 1 1364 . 126 LEU HB3 H 1.7130 0.02 2 1365 . 126 LEU HB2 H 1.4790 0.02 2 1366 . 126 LEU CG C 27.140 0.2 1 1367 . 126 LEU CD1 C 25.610 0.2 2 1368 . 126 LEU HD1 H 0.6730 0.02 2 1369 . 126 LEU CD2 C 23.098 0.2 2 1370 . 126 LEU HD2 H 0.5530 0.02 2 1371 . 126 LEU C C 178.20 0.2 1 1372 . 127 LYS N N 121.50 0.1 1 1373 . 127 LYS H H 7.3560 0.02 1 1374 . 127 LYS CA C 58.800 0.2 1 1375 . 127 LYS HA H 4.0150 0.02 1 1376 . 127 LYS CB C 31.700 0.2 1 1377 . 127 LYS HB3 H 1.8300 0.02 2 1378 . 127 LYS HB2 H 1.8020 0.02 2 1379 . 127 LYS CG C 25.070 0.2 1 1380 . 127 LYS HG3 H 1.3860 0.02 2 1381 . 127 LYS HG2 H 1.2450 0.02 2 1382 . 127 LYS CD C 28.860 0.2 1 1383 . 127 LYS HD3 H 1.6560 0.02 2 1384 . 127 LYS CE C 41.670 0.2 1 1385 . 127 LYS HE3 H 2.9270 0.02 2 1386 . 127 LYS C C 177.60 0.2 1 1387 . 128 GLY N N 109.43 0.1 1 1388 . 128 GLY H H 8.2880 0.02 1 1389 . 128 GLY CA C 44.900 0.2 1 1390 . 128 GLY HA3 H 3.8320 0.02 2 1391 . 128 GLY HA2 H 4.0280 0.02 2 1392 . 128 GLY C C 173.80 0.2 1 1393 . 129 VAL N N 120.96 0.1 1 1394 . 129 VAL H H 7.3210 0.02 1 1395 . 129 VAL CA C 61.400 0.2 1 1396 . 129 VAL HA H 4.0990 0.02 1 1397 . 129 VAL CB C 32.750 0.2 1 1398 . 129 VAL HB H 2.0490 0.02 1 1399 . 129 VAL CG2 C 22.087 0.2 2 1400 . 129 VAL HG2 H 1.0210 0.02 2 1401 . 129 VAL CG1 C 21.443 0.2 2 1402 . 129 VAL HG1 H 0.8870 0.02 2 1403 . 129 VAL C C 174.70 0.2 1 1404 . 130 GLU N N 128.10 0.1 1 1405 . 130 GLU H H 8.5900 0.02 1 1406 . 130 GLU CA C 56.400 0.2 1 1407 . 130 GLU HA H 4.2040 0.02 1 1408 . 130 GLU CB C 29.800 0.2 1 1409 . 130 GLU HB3 H 1.9060 0.02 1 1410 . 130 GLU HB2 H 1.9060 0.02 1 1411 . 130 GLU CG C 36.180 0.2 1 1412 . 130 GLU HG3 H 2.0480 0.02 1 1413 . 130 GLU HG2 H 2.0480 0.02 1 1414 . 130 GLU CD C 184.00 0.2 1 1415 . 130 GLU C C 174.80 0.2 1 1416 . 131 VAL N N 126.17 0.1 1 1417 . 131 VAL H H 8.2040 0.02 1 1418 . 131 VAL CA C 60.659 0.2 1 1419 . 131 VAL HA H 4.2290 0.02 1 1420 . 131 VAL CB C 33.130 0.2 1 1421 . 131 VAL HB H 1.8320 0.02 1 1422 . 131 VAL CG2 C 20.984 0.2 2 1423 . 131 VAL HG2 H 0.8670 0.02 2 1424 . 131 VAL CG1 C 20.239 0.2 2 1425 . 131 VAL HG1 H 0.7770 0.02 2 1426 . 131 VAL C C 176.10 0.2 1 1427 . 132 ASP N N 127.07 0.1 1 1428 . 132 ASP H H 8.7260 0.02 1 1429 . 132 ASP CA C 52.800 0.2 1 1430 . 132 ASP HA H 4.6340 0.02 1 1431 . 132 ASP CB C 41.090 0.2 1 1432 . 132 ASP HB3 H 3.2970 0.02 2 1433 . 132 ASP HB2 H 2.7160 0.02 2 1434 . 132 ASP CG C 179.72 0.2 1 1435 . 132 ASP C C 178.40 0.2 1 1436 . 133 SER N N 113.91 0.1 1 1437 . 133 SER H H 8.3530 0.02 1 1438 . 133 SER CA C 60.780 0.2 1 1439 . 133 SER HA H 4.1340 0.02 1 1440 . 133 SER CB C 62.950 0.2 1 1441 . 133 SER HB3 H 3.9120 0.02 1 1442 . 133 SER HB2 H 3.9120 0.02 1 1443 . 133 SER C C 174.80 0.2 1 1444 . 134 ASN N N 120.00 0.1 1 1445 . 134 ASN H H 8.3920 0.02 1 1446 . 134 ASN CA C 52.400 0.2 1 1447 . 134 ASN HA H 4.8900 0.02 1 1448 . 134 ASN CB C 39.020 0.2 1 1449 . 134 ASN HB3 H 2.8330 0.02 1 1450 . 134 ASN HB2 H 2.8330 0.02 1 1451 . 134 ASN CG C 177.52 0.2 1 1452 . 134 ASN ND2 N 116.40 0.1 1 1453 . 134 ASN HD21 H 8.1440 0.02 2 1454 . 134 ASN HD22 H 6.7650 0.02 2 1455 . 134 ASN C C 175.30 0.2 1 1456 . 135 GLY N N 110.17 0.1 1 1457 . 135 GLY H H 8.3340 0.02 1 1458 . 135 GLY CA C 45.760 0.2 1 1459 . 135 GLY HA3 H 3.5600 0.02 2 1460 . 135 GLY HA2 H 4.0760 0.02 2 1461 . 135 GLY C C 173.90 0.2 1 1462 . 136 GLU N N 119.85 0.1 1 1463 . 136 GLU H H 8.2270 0.02 1 1464 . 136 GLU CA C 55.000 0.2 1 1465 . 136 GLU HA H 4.8640 0.02 1 1466 . 136 GLU CB C 32.980 0.2 1 1467 . 136 GLU HB3 H 2.1790 0.02 2 1468 . 136 GLU HB2 H 1.6390 0.02 2 1469 . 136 GLU CG C 36.840 0.2 1 1470 . 136 GLU HG3 H 2.0310 0.02 2 1471 . 136 GLU HG2 H 1.6290 0.02 2 1472 . 136 GLU CD C 182.30 0.2 1 1473 . 136 GLU C C 174.90 0.2 1 1474 . 137 ILE N N 117.20 0.1 1 1475 . 137 ILE H H 8.9200 0.02 1 1476 . 137 ILE CA C 58.700 0.2 1 1477 . 137 ILE HA H 4.4370 0.02 1 1478 . 137 ILE CB C 42.460 0.2 1 1479 . 137 ILE HB H 1.5070 0.02 1 1480 . 137 ILE CG1 C 27.420 0.2 1 1481 . 137 ILE HG13 H 1.3830 0.02 2 1482 . 137 ILE HG12 H 0.8670 0.02 2 1483 . 137 ILE CD1 C 15.640 0.2 1 1484 . 137 ILE HD1 H 0.5050 0.02 1 1485 . 137 ILE CG2 C 18.840 0.2 1 1486 . 137 ILE HG2 H 0.6120 0.02 1 1487 . 137 ILE C C 174.50 0.2 1 1488 . 138 ASP N N 124.12 0.1 1 1489 . 138 ASP H H 8.4270 0.02 1 1490 . 138 ASP CA C 52.600 0.2 1 1491 . 138 ASP HA H 4.7560 0.02 1 1492 . 138 ASP CB C 40.790 0.2 1 1493 . 138 ASP HB3 H 2.8770 0.02 2 1494 . 138 ASP HB2 H 2.3530 0.02 2 1495 . 138 ASP CG C 179.30 0.2 1 1496 . 138 ASP C C 176.30 0.2 1 1497 . 139 TYR N N 126.14 0.1 1 1498 . 139 TYR H H 7.4660 0.02 1 1499 . 139 TYR CA C 59.400 0.2 1 1500 . 139 TYR HA H 4.1270 0.02 1 1501 . 139 TYR CB C 36.700 0.2 1 1502 . 139 TYR HB3 H 2.2080 0.02 2 1503 . 139 TYR HB2 H 2.1570 0.02 2 1504 . 139 TYR CD1 C 131.92 0.2 1 1505 . 139 TYR HD1 H 6.5300 0.02 1 1506 . 139 TYR CE1 C 117.45 0.2 1 1507 . 139 TYR HE1 H 6.6330 0.02 1 1508 . 139 TYR CE2 C 117.45 0.2 1 1509 . 139 TYR HE2 H 6.6330 0.02 1 1510 . 139 TYR CD2 C 131.92 0.2 1 1511 . 139 TYR HD2 H 6.5300 0.02 1 1512 . 139 TYR C C 176.10 0.2 1 1513 . 140 LYS N N 126.11 0.1 1 1514 . 140 LYS H H 8.1200 0.02 1 1515 . 140 LYS CA C 60.500 0.2 1 1516 . 140 LYS HA H 3.8940 0.02 1 1517 . 140 LYS CB C 31.085 0.2 1 1518 . 140 LYS HB3 H 1.7130 0.02 1 1519 . 140 LYS HB2 H 1.7130 0.02 1 1520 . 140 LYS CG C 25.780 0.2 1 1521 . 140 LYS HG3 H 1.2790 0.02 2 1522 . 140 LYS HG2 H 1.1900 0.02 2 1523 . 140 LYS CD C 28.820 0.2 1 1524 . 140 LYS HD3 H 1.5850 0.02 2 1525 . 140 LYS CE C 41.420 0.2 1 1526 . 140 LYS HE3 H 2.8790 0.02 1 1527 . 140 LYS HE2 H 2.8790 0.02 1 1528 . 140 LYS C C 178.60 0.2 1 1529 . 141 LYS N N 120.76 0.1 1 1530 . 141 LYS H H 7.6950 0.02 1 1531 . 141 LYS CA C 58.600 0.2 1 1532 . 141 LYS HA H 3.9520 0.02 1 1533 . 141 LYS CB C 32.150 0.2 1 1534 . 141 LYS HB3 H 1.6370 0.02 2 1535 . 141 LYS HB2 H 1.7510 0.02 2 1536 . 141 LYS CG C 24.890 0.2 1 1537 . 141 LYS HG3 H 1.3890 0.02 1 1538 . 141 LYS HG2 H 1.3890 0.02 1 1539 . 141 LYS CD C 28.720 0.2 1 1540 . 141 LYS HD3 H 1.6060 0.02 2 1541 . 141 LYS CE C 41.730 0.2 1 1542 . 141 LYS HE3 H 3.0510 0.02 2 1543 . 141 LYS C C 177.50 0.2 1 1544 . 142 PHE N N 119.44 0.1 1 1545 . 142 PHE H H 7.6810 0.02 1 1546 . 142 PHE CA C 61.300 0.2 1 1547 . 142 PHE HA H 4.1730 0.02 1 1548 . 142 PHE CB C 39.480 0.2 1 1549 . 142 PHE HB3 H 3.0590 0.02 1 1550 . 142 PHE HB2 H 3.0590 0.02 1 1551 . 142 PHE HD1 H 7.0450 0.02 1 1552 . 142 PHE HE1 H 6.7790 0.02 1 1553 . 142 PHE HE2 H 6.7790 0.02 1 1554 . 142 PHE HD2 H 7.0450 0.02 1 1555 . 142 PHE C C 176.90 0.2 1 1556 . 143 ILE N N 120.00 0.1 1 1557 . 143 ILE H H 8.4110 0.02 1 1558 . 143 ILE CA C 65.000 0.2 1 1559 . 143 ILE HA H 3.3040 0.02 1 1560 . 143 ILE CB C 38.220 0.2 1 1561 . 143 ILE HB H 1.9630 0.02 1 1562 . 143 ILE CG1 C 29.580 0.2 1 1563 . 143 ILE HG13 H 1.9920 0.02 2 1564 . 143 ILE HG12 H 1.0300 0.02 2 1565 . 143 ILE CD1 C 14.719 0.2 1 1566 . 143 ILE HD1 H 0.9070 0.02 1 1567 . 143 ILE CG2 C 18.027 0.2 1 1568 . 143 ILE HG2 H 0.9070 0.02 1 1569 . 143 ILE C C 176.60 0.2 1 1570 . 144 GLU N N 117.57 0.1 1 1571 . 144 GLU H H 7.6130 0.02 1 1572 . 144 GLU CA C 59.000 0.2 1 1573 . 144 GLU HA H 3.8570 0.02 1 1574 . 144 GLU CB C 29.720 0.2 1 1575 . 144 GLU HB3 H 1.9480 0.02 1 1576 . 144 GLU HB2 H 1.9480 0.02 1 1577 . 144 GLU CG C 36.130 0.2 1 1578 . 144 GLU HG3 H 2.3390 0.02 1 1579 . 144 GLU HG2 H 2.3390 0.02 1 1580 . 144 GLU CD C 183.40 0.2 1 1581 . 144 GLU C C 177.90 0.2 1 1582 . 145 ASP N N 116.94 0.1 1 1583 . 145 ASP H H 8.3880 0.02 1 1584 . 145 ASP CA C 56.000 0.2 1 1585 . 145 ASP HA H 4.4550 0.02 1 1586 . 145 ASP CB C 40.960 0.2 1 1587 . 145 ASP HB3 H 2.5020 0.02 2 1588 . 145 ASP HB2 H 2.6850 0.02 2 1589 . 145 ASP CG C 179.02 0.2 1 1590 . 145 ASP C C 177.50 0.2 1 1591 . 146 VAL N N 118.45 0.1 1 1592 . 146 VAL H H 7.7510 0.02 1 1593 . 146 VAL CA C 64.100 0.2 1 1594 . 146 VAL HA H 3.8510 0.02 1 1595 . 146 VAL CB C 32.310 0.2 1 1596 . 146 VAL HB H 1.3480 0.02 1 1597 . 146 VAL CG2 C 21.906 0.2 2 1598 . 146 VAL HG2 H 0.6230 0.02 2 1599 . 146 VAL CG1 C 21.513 0.2 2 1600 . 146 VAL HG1 H 0.5930 0.02 2 1601 . 146 VAL C C 176.60 0.2 1 1602 . 147 LEU N N 118.45 0.1 1 1603 . 147 LEU H H 7.2860 0.02 1 1604 . 147 LEU CA C 56.000 0.2 1 1605 . 147 LEU HA H 4.0650 0.02 1 1606 . 147 LEU CB C 41.430 0.2 1 1607 . 147 LEU HB3 H 1.3850 0.02 2 1608 . 147 LEU HB2 H 1.5260 0.02 2 1609 . 147 LEU CG C 26.270 0.2 1 1610 . 147 LEU CD1 C 25.130 0.2 2 1611 . 147 LEU HD1 H 0.6460 0.02 2 1612 . 147 LEU CD2 C 22.790 0.2 2 1613 . 147 LEU HD2 H 0.6190 0.02 2 1614 . 147 LEU C C 177.10 0.2 1 1615 . 148 ARG N N 118.60 0.1 1 1616 . 148 ARG H H 7.5320 0.02 1 1617 . 148 ARG CA C 56.100 0.2 1 1618 . 148 ARG HA H 4.1980 0.02 1 1619 . 148 ARG CB C 29.427 0.2 1 1620 . 148 ARG HB3 H 1.8390 0.02 2 1621 . 148 ARG HB2 H 1.7980 0.02 2 1622 . 148 ARG CG C 27.065 0.2 1 1623 . 148 ARG HG3 H 1.5300 0.02 1 1624 . 148 ARG HG2 H 1.5300 0.02 1 1625 . 148 ARG CD C 43.240 0.2 1 1626 . 148 ARG HD3 H 3.1310 0.02 1 1627 . 148 ARG HD2 H 3.1310 0.02 1 1628 . 148 ARG C C 175.00 0.2 1 1629 . 149 GLN N N 125.92 0.1 1 1630 . 149 GLN H H 7.5270 0.02 1 1631 . 149 GLN CA C 57.000 0.2 1 1632 . 149 GLN HA H 4.0630 0.02 1 1633 . 149 GLN CB C 30.300 0.2 1 1634 . 149 GLN HB3 H 1.7800 0.02 2 1635 . 149 GLN HB2 H 2.0910 0.02 2 1636 . 149 GLN CG C 34.180 0.2 1 1637 . 149 GLN HG3 H 2.2020 0.02 1 1638 . 149 GLN HG2 H 2.2020 0.02 1 1639 . 149 GLN CD C 180.73 0.2 1 1640 . 149 GLN NE2 N 113.05 0.1 1 1641 . 149 GLN HE21 H 7.4120 0.02 2 1642 . 149 GLN HE22 H 6.7190 0.02 2 1643 . 149 GLN C C 180.30 0.2 1 stop_ save_ save_T1_relaxation_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_mlc stop_ _Sample_conditions_label $Ex-cond _Spectrometer_frequency_1H 700 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'mlc monomer' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 SER N 0.77752 0.016296 2 3 ALA N 0.78892 0.010945 3 4 THR N 0.85625 0.010466 4 6 ALA N 0.83572 0.010435 5 10 ILE N 0.94099 0.010542 6 12 THR N 1.0082 0.011757 7 13 LEU N 0.93208 0.0074141 8 14 PHE N 0.94963 0.0082187 9 15 ASP N 1.0584 0.0080048 10 16 LYS N 0.98861 0.0065048 11 17 LYS N 1.0020 0.014240 12 18 GLY N 1.0396 0.0080228 13 19 GLN N 1.0686 0.011805 14 20 GLY N 0.89955 0.020074 15 22 ILE N 0.99496 0.014929 16 23 ALA N 0.95387 0.0081000 17 24 LYS N 1.0730 0.011294 18 25 ASP N 1.0078 0.0098020 19 26 SER N 1.0430 0.0096549 20 27 LEU N 0.96859 0.0078797 21 28 GLY N 1.0086 0.012494 22 30 TYR N 0.94797 0.0093668 23 31 LEU N 0.99793 0.012137 24 32 ARG N 0.99991 0.014195 25 33 ALA N 1.0395 0.0097700 26 34 ILE N 1.0274 0.015241 27 35 GLY N 0.97787 0.013428 28 36 TYR N 1.0189 0.0086485 29 37 ASN N 1.0524 0.022183 30 39 THR N 0.98492 0.0092282 31 42 LEU N 1.0019 0.0053373 32 43 VAL N 0.94687 0.0078947 33 44 GLN N 0.98572 0.0086364 34 45 ASP N 0.97681 0.0081575 35 46 ILE N 0.93695 0.0086551 36 47 ILE N 0.96095 0.0086520 37 48 ASN N 0.98376 0.0093942 38 49 ALA N 0.93821 0.0069010 39 50 ASP N 0.95125 0.0050418 40 51 SER N 1.0165 0.039071 41 52 SER N 0.91721 0.0062740 42 53 LEU N 0.91784 0.0075691 43 55 ASP N 0.89535 0.0064012 44 56 ALA N 1.0364 0.0059024 45 58 SER N 0.93083 0.0082165 46 59 LEU N 1.0060 0.011684 47 61 LEU N 0.93609 0.0084103 48 62 ASP N 0.99478 0.0057445 49 63 GLN N 0.96909 0.0072717 50 65 THR N 1.0486 0.015588 51 66 GLY N 0.95920 0.010507 52 67 LEU N 0.94487 0.0085367 53 68 ILE N 1.0028 0.014376 54 69 GLU N 1.0497 0.0083476 55 70 VAL N 0.95299 0.0040506 56 71 ASN N 0.95388 0.010873 57 72 GLU N 1.0102 0.0076595 58 74 GLU N 1.0552 0.0062939 59 75 LEU N 0.97893 0.0092949 60 76 ASP N 0.98448 0.0097155 61 77 ALA N 1.0019 0.0056375 62 78 THR N 1.0373 0.017085 63 79 THR N 0.90446 0.010999 64 80 LYS N 0.92382 0.010778 65 81 ALA N 0.89862 0.0070497 66 82 LYS N 0.85687 0.0090994 67 83 THR N 0.87115 0.015381 68 84 GLU N 0.86456 0.013728 69 85 ASP N 0.83856 0.0091653 70 86 PHE N 0.85494 0.011224 71 87 VAL N 0.93487 0.0082648 72 88 LYS N 0.92690 0.011104 73 89 ALA N 0.85319 0.0092889 74 90 PHE N 0.91804 0.011720 75 91 GLN N 0.92023 0.0077074 76 92 VAL N 0.87217 0.0075385 77 93 PHE N 0.91192 0.015781 78 95 LYS N 0.88430 0.0059794 79 96 GLU N 0.84133 0.0068748 80 97 SER N 0.79661 0.0058065 81 98 THR N 0.81889 0.052731 82 99 GLY N 0.80288 0.051750 83 100 LYS N 0.82852 0.0077220 84 101 VAL N 0.85726 0.014623 85 102 SER N 0.89313 0.010539 86 104 GLY N 0.84840 0.0084588 87 105 ASP N 0.85337 0.0062943 88 106 LEU N 0.83890 0.0063261 89 107 ARG N 0.97674 0.0049053 90 108 TYR N 0.88328 0.0066775 91 109 MET N 0.88223 0.0096869 92 110 LEU N 0.90573 0.010838 93 111 THR N 0.91096 0.0096580 94 112 GLY N 0.83659 0.0082689 95 113 LEU N 0.84677 0.0058935 96 114 GLY N 0.79188 0.0084894 97 116 LYS N 0.73074 0.0071880 98 117 LEU N 0.87501 0.0070892 99 119 ASP N 0.81891 0.0054492 100 120 ALA N 0.81447 0.0053423 101 121 GLU N 0.84121 0.0061475 102 123 ASP N 0.84257 0.0050553 103 124 GLU N 0.88369 0.0049378 104 125 LEU N 0.81125 0.0061766 105 126 LEU N 0.95299 0.0044440 106 128 GLY N 0.89688 0.014121 107 129 VAL N 0.86404 0.0038099 108 130 GLU N 0.90882 0.0057277 109 131 VAL N 0.96131 0.0076151 110 132 ASP N 0.84259 0.0071062 111 133 SER N 0.84947 0.024087 112 135 GLY N 0.78192 0.0070359 113 136 GLU N 0.87064 0.0054096 114 137 ILE N 0.88307 0.016669 115 138 ASP N 0.89081 0.0074621 116 139 TYR N 0.89246 0.012764 117 140 LYS N 0.90199 0.0097324 118 141 LYS N 0.91138 0.0057841 119 142 PHE N 0.86157 0.0074486 120 144 GLU N 0.92095 0.0081519 121 145 ASP N 0.90728 0.0067202 122 146 VAL N 0.82874 0.0054091 123 147 LEU N 0.88657 0.0095556 124 148 ARG N 0.82286 0.0080884 125 149 GLN N 0.72919 0.0020139 stop_ save_ save_T2_relaxation_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_mlc stop_ _Sample_conditions_label $Ex-cond _Spectrometer_frequency_1H 700 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'mlc monomer' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 SER N 0.12205 0.00094592 . . 2 3 ALA N 0.11012 0.00064206 . . 3 4 THR N 0.097215 0.00043585 . . 4 6 ALA N 0.073499 0.00025838 . . 5 10 ILE N 0.062821 0.00035375 . . 6 12 THR N 0.059821 0.00030766 . . 7 13 LEU N 0.057759 0.00019797 . . 8 14 PHE N 0.063009 0.00020707 . . 9 15 ASP N 0.072103 0.00022281 . . 10 16 LYS N 0.082715 0.00031611 . . 11 17 LYS N 0.061940 0.00039071 . . 12 18 GLY N 0.064319 0.00024873 . . 13 19 GLN N 0.070063 0.00032300 . . 14 20 GLY N 0.061877 0.00072035 . . 15 22 ILE N 0.063462 0.00036370 . . 16 23 ALA N 0.069306 0.00023725 . . 17 24 LYS N 0.057594 0.00028335 . . 18 25 ASP N 0.052206 0.00018399 . . 19 26 SER N 0.058851 0.00022635 . . 20 27 LEU N 0.058494 0.00020656 . . 21 28 GLY N 0.062045 0.00045750 . . 22 30 TYR N 0.058310 0.00026122 . . 23 31 LEU N 0.058394 0.00031306 . . 24 32 ARG N 0.054839 0.00033662 . . 25 33 ALA N 0.058872 0.00033323 . . 26 34 ILE N 0.057566 0.00041946 . . 27 35 GLY N 0.063350 0.00040628 . . 28 36 TYR N 0.056930 0.00026102 . . 29 37 ASN N 0.059572 0.00048629 . . 30 39 THR N 0.076563 0.00044762 . . 31 40 ASN N 0.051946 0.0026042 . . 32 42 LEU N 0.056699 0.00020745 . . 33 43 VAL N 0.058718 0.00022542 . . 34 44 GLN N 0.052622 0.00022059 . . 35 45 ASP N 0.059697 0.00015727 . . 36 46 ILE N 0.051661 0.00015491 . . 37 47 ILE N 0.059696 0.00023531 . . 38 48 ASN N 0.056196 0.00024666 . . 39 49 ALA N 0.058965 0.00017482 . . 40 50 ASP N 0.071155 0.00017954 . . 41 51 SER N 0.070259 0.0014748 . . 42 52 SER N 0.068086 0.00025635 . . 43 53 LEU N 0.071149 0.00024574 . . 44 55 ASP N 0.067885 0.00023635 . . 45 56 ALA N 0.076482 0.00021508 . . 46 57 SER N 0.066562 0.00022096 . . 47 59 LEU N 0.064355 0.00027950 . . 48 61 LEU N 0.062833 0.00028470 . . 49 62 ASP N 0.055295 0.00015171 . . 50 63 GLN N 0.061047 0.00018056 . . 51 65 THR N 0.055420 0.00028313 . . 52 66 GLY N 0.062473 0.00028498 . . 53 67 LEU N 0.062785 0.00021637 . . 54 68 ILE N 0.057711 0.00029398 . . 55 69 GLU N 0.051316 0.00027956 . . 56 70 VAL N 0.060854 0.00014760 . . 57 71 ASN N 0.056519 0.00026149 . . 58 72 GLU N 0.061158 0.00028574 . . 59 74 GLU N 0.058192 0.00016756 . . 60 75 LEU N 0.056114 0.00028625 . . 61 76 ASP N 0.060956 0.00042743 . . 62 77 ALA N 0.056004 0.00013774 . . 63 78 THR N 0.053980 0.00052110 . . 64 79 THR N 0.057625 0.00039066 . . 65 80 LYS N 0.071257 0.00031529 . . 66 81 ALA N 0.080705 0.00034651 . . 67 82 LYS N 0.082781 0.00031100 . . 68 83 THR N 0.064044 0.00047925 . . 69 84 GLU N 0.060423 0.00035753 . . 70 85 ASP N 0.075487 0.00031453 . . 71 86 PHE N 0.071040 0.00060316 . . 72 87 VAL N 0.051511 0.00025421 . . 73 88 LYS N 0.041064 0.00018292 . . 74 89 ALA N 0.056835 0.00019991 . . 75 90 PHE N 0.053060 0.00021707 . . 76 91 GLN N 0.051510 0.00023643 . . 77 92 VAL N 0.055516 0.00025201 . . 78 93 PHE N 0.034836 0.00026532 . . 79 95 LYS N 0.083633 0.00024154 . . 80 96 GLU N 0.062833 0.00023070 . . 81 97 SER N 0.075630 0.00061500 . . 82 98 THR N 0.079118 0.0016292 . . 83 99 GLY N 0.066084 0.0014987 . . 84 100 LYS N 0.065549 0.00023323 . . 85 101 VAL N 0.033413 0.00036770 . . 86 102 SER N 0.060636 0.00031983 . . 87 104 GLY N 0.063504 0.00023062 . . 88 105 ASP N 0.062503 0.00025205 . . 89 107 ARG N 0.056934 0.00010724 . . 90 108 TYR N 0.056990 0.00019103 . . 91 109 MET N 0.057776 0.00027789 . . 92 110 LEU N 0.052756 0.00023430 . . 93 111 THR N 0.052736 0.00024394 . . 94 112 GLY N 0.068266 0.00038287 . . 95 113 LEU N 0.072177 0.00026294 . . 96 114 GLY N 0.087352 0.00041809 . . 97 116 LYS N 0.064745 0.00023972 . . 98 117 LEU N 0.078142 0.00031699 . . 99 119 ASP N 0.072816 0.00026041 . . 100 120 ALA N 0.066155 0.00018847 . . 101 121 GLU N 0.073665 0.00019342 . . 102 123 ASP N 0.066425 0.00017171 . . 103 124 GLU N 0.069281 0.00019456 . . 104 125 LEU N 0.071943 0.00018438 . . 105 126 LEU N 0.060854 9.5987e-05 . . 106 128 GLY N 0.066440 0.00049062 . . 107 129 VAL N 0.072860 0.00012090 . . 108 130 GLU N 0.075449 0.00021364 . . 109 131 VAL N 0.064114 0.00025416 . . 110 132 ASP N 0.068952 0.00023899 . . 111 133 SER N 0.079273 0.0010433 . . 112 135 GLY N 0.077828 0.00029560 . . 113 136 GLU N 0.068540 0.00015909 . . 114 137 ILE N 0.057723 0.00036848 . . 115 138 ASP N 0.074600 0.00029972 . . 116 139 TYR N 0.055204 0.00099950 . . 117 140 LYS N 0.040595 0.00020437 . . 118 141 LYS N 0.059312 0.00022887 . . 119 142 PHE N 0.062901 0.00016003 . . 120 144 GLU N 0.055410 0.00022578 . . 121 145 ASP N 0.056921 0.00017218 . . 122 146 VAL N 0.065782 0.00018964 . . 123 147 LEU N 0.065216 0.00024858 . . 124 148 ARG N 0.074807 0.00018776 . . 125 149 GLN N 0.15223 0.00017164 . . stop_ save_ save_heteronuclear_NOE_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_mlc stop_ _Sample_conditions_label $Ex-cond _Spectrometer_frequency_1H 500 _Mol_system_component_name 'mlc monomer' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 SER 0.45345 0.035556 3 ALA 0.49368 0.026058 4 THR 0.56815 0.019573 6 ALA 0.92534 0.033319 10 ILE 0.85320 0.034689 12 THR 0.85715 0.028373 13 LEU 0.83335 0.025946 14 PHE 0.84505 0.027653 15 ASP 0.74335 0.025373 16 LYS 0.50412 0.018208 17 LYS 0.53381 0.037501 18 GLY 0.70952 0.024517 19 GLN 0.58490 0.031253 20 GLY 0.78066 0.082915 22 ILE 0.72964 0.035223 23 ALA 0.76459 0.021748 24 LYS 0.73875 0.027864 25 ASP 0.86811 0.019774 26 SER 0.89773 0.025562 27 LEU 0.83792 0.025660 28 GLY 0.89858 0.033818 30 TYR 0.93052 0.027967 31 LEU 0.88615 0.031601 32 ARG 0.76540 0.037914 33 ALA 0.76735 0.024309 34 ILE 0.74393 0.042559 35 GLY 0.85002 0.037746 36 TYR 0.87753 0.025103 37 ASN 0.81671 0.042944 39 THR 0.78902 0.026533 42 LEU 0.83977 0.018291 43 VAL 0.76979 0.023273 44 GLN 0.86804 0.025952 45 ASP 0.87160 0.018469 46 ILE 0.84845 0.027181 47 ILE 0.80339 0.029245 48 ASN 0.82346 0.024945 49 ALA 0.80214 0.018847 50 ASP 0.77863 0.016468 51 SER 0.73362 0.10003 52 SER 0.68273 0.016949 53 LEU 0.74943 0.023026 55 ASP 0.73625 0.017308 56 ALA 0.69995 0.016361 58 SER 0.72290 0.020247 59 LEU 0.79321 0.032598 61 LEU 0.85336 0.028219 62 ASP 0.79386 0.013734 63 GLN 0.82458 0.026241 65 THR 0.84708 0.036027 66 GLY 0.90256 0.029114 67 LEU 0.78887 0.021108 68 ILE 0.77457 0.037797 69 GLU 0.88009 0.029550 70 VAL 0.78136 0.012906 71 ASN 0.89445 0.038041 72 GLU 0.83367 0.023749 74 GLU 0.75343 0.019668 75 LEU 0.76207 0.027867 76 ASP 0.85561 0.036867 77 ALA 0.79209 0.017633 78 THR 0.85070 0.042716 79 THR 0.71160 0.032178 80 LYS 0.67015 0.028570 81 ALA 0.55845 0.025368 82 LYS 0.53793 0.025093 83 THR 0.56475 0.035798 84 GLU 0.70465 0.035939 85 ASP 0.72402 0.026917 86 PHE 0.80116 0.034063 87 VAL 0.71682 0.027573 88 LYS 0.73565 0.031295 89 ALA 0.81089 0.026621 90 PHE 0.70439 0.026202 91 GLN 0.72653 0.020683 92 VAL 0.70742 0.026727 93 PHE 0.72206 0.053163 95 LYS 0.50772 0.013842 96 GLU 0.59940 0.024542 97 SER 0.84221 0.018869 100 LYS 0.91749 0.026795 101 VAL 0.89364 0.049460 102 SER 0.80320 0.034074 104 GLY 0.90934 0.023962 105 ASP 0.86635 0.023807 106 LEU 0.71864 0.023010 107 ARG 0.77652 0.014265 108 TYR 0.78213 0.021577 109 MET 0.88107 0.028788 110 LEU 0.84583 0.032526 111 THR 0.76100 0.029885 112 GLY 0.81643 0.030279 113 LEU 0.66030 0.021402 114 GLY 0.66661 0.026241 116 LYS 0.68321 0.021095 117 LEU 0.63304 0.020455 119 ASP 0.84959 0.020732 120 ALA 0.90239 0.018343 121 GLU 0.74018 0.019218 123 ASP 0.81862 0.014708 124 GLU 0.82157 0.016866 125 LEU 0.87497 0.022877 126 LEU 0.81470 0.012515 128 GLY 0.75188 0.037471 129 VAL 0.67683 0.013732 130 GLU 0.54644 0.015909 131 VAL 0.66316 0.019983 132 ASP 0.80881 0.022906 133 SER 0.78796 0.061987 135 GLY 0.93483 0.025552 136 GLU 0.71300 0.015769 137 ILE 0.78151 0.041252 138 ASP 0.85025 0.020593 139 TYR 0.84126 0.048680 140 LYS 0.87728 0.035000 141 LYS 0.69633 0.021604 142 PHE 0.90289 0.023293 144 GLU 0.72172 0.021170 145 ASP 0.86446 0.024226 146 VAL 0.78331 0.022151 147 LEU 0.78966 0.033270 148 ARG 0.61765 0.022411 149 GLN 0.39321 0.0078927 stop_ save_