data_1205
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structural Features of the Protoporphyrin-Apomyoglobin Complex: A Proton NMR
Spectroscopy Study
;
_BMRB_accession_number 1205
_BMRB_flat_file_name bmr1205.str
_Entry_type update
_Submission_date 1995-07-31
_Accession_date 1996-03-25
_Entry_origination BMRB
_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 Lecomte Juliette T.J. .
2 Cocco Melanie J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 104
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-06-14 revision BMRB 'Complete natural source information'
1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'
1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format'
1995-07-31 original BMRB 'Last release in original BMRB flat-file format'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Lecomte, Juliette T.J., Cocco, Melanie J.,
"Structural Features of the Protoporphyrin-Apomyoglobin Complex: A Proton
NMR Spectroscopy Study,"
Biochemistry 29 (50), 11057-11067 (1990).
;
_Citation_title
;
Structural Features of the Protoporphyrin-Apomyoglobin Complex: A Proton NMR
Spectroscopy Study
;
_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 Lecomte Juliette T.J. .
2 Cocco Melanie J. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 29
_Journal_issue 50
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 11057
_Page_last 11067
_Year 1990
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_myoglobin
_Saveframe_category molecular_system
_Mol_system_name myoglobin
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
myoglobin $myoglobin
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_myoglobin
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common myoglobin
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 153
_Mol_residue_sequence
;
GLSDGEWQQVLNVWGKVEAD
IAGHGQEVLIRLFTGHPETL
EKFDKFKHLKTEAEMKASED
LKKHGTVVLTALGGILKKKG
HHEAELKPLAQSHATKHKIP
IKYLEFISDAIIHVLHSKHP
GNFGADAQGAMTKALELFRN
DIAAKYKELGFQG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 LEU 3 SER 4 ASP 5 GLY
6 GLU 7 TRP 8 GLN 9 GLN 10 VAL
11 LEU 12 ASN 13 VAL 14 TRP 15 GLY
16 LYS 17 VAL 18 GLU 19 ALA 20 ASP
21 ILE 22 ALA 23 GLY 24 HIS 25 GLY
26 GLN 27 GLU 28 VAL 29 LEU 30 ILE
31 ARG 32 LEU 33 PHE 34 THR 35 GLY
36 HIS 37 PRO 38 GLU 39 THR 40 LEU
41 GLU 42 LYS 43 PHE 44 ASP 45 LYS
46 PHE 47 LYS 48 HIS 49 LEU 50 LYS
51 THR 52 GLU 53 ALA 54 GLU 55 MET
56 LYS 57 ALA 58 SER 59 GLU 60 ASP
61 LEU 62 LYS 63 LYS 64 HIS 65 GLY
66 THR 67 VAL 68 VAL 69 LEU 70 THR
71 ALA 72 LEU 73 GLY 74 GLY 75 ILE
76 LEU 77 LYS 78 LYS 79 LYS 80 GLY
81 HIS 82 HIS 83 GLU 84 ALA 85 GLU
86 LEU 87 LYS 88 PRO 89 LEU 90 ALA
91 GLN 92 SER 93 HIS 94 ALA 95 THR
96 LYS 97 HIS 98 LYS 99 ILE 100 PRO
101 ILE 102 LYS 103 TYR 104 LEU 105 GLU
106 PHE 107 ILE 108 SER 109 ASP 110 ALA
111 ILE 112 ILE 113 HIS 114 VAL 115 LEU
116 HIS 117 SER 118 LYS 119 HIS 120 PRO
121 GLY 122 ASN 123 PHE 124 GLY 125 ALA
126 ASP 127 ALA 128 GLN 129 GLY 130 ALA
131 MET 132 THR 133 LYS 134 ALA 135 LEU
136 GLU 137 LEU 138 PHE 139 ARG 140 ASN
141 ASP 142 ILE 143 ALA 144 ALA 145 LYS
146 TYR 147 LYS 148 GLU 149 LEU 150 GLY
151 PHE 152 GLN 153 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-23
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 1028 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1030 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1031 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1032 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1033 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1202 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 1203 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 17057 Mb 100.00 154 99.35 100.00 3.03e-103
BMRB 17116 myoglobin 100.00 153 99.35 100.00 3.16e-103
BMRB 2935 myoglobin 100.00 153 100.00 100.00 5.69e-104
BMRB 2936 myoglobin 100.00 153 100.00 100.00 5.69e-104
PDB 1AZI "Myoglobin (Horse Heart) Recombinant Wild-Type Complexed With Azide" 100.00 153 99.35 100.00 3.16e-103
PDB 1BJE "H64t Variant Of Myoglobin (Horse Heart) Recombinant Wild- Type Complexed With Azide" 100.00 153 98.69 99.35 5.02e-102
PDB 1DWR "Myoglobin (Horse Heart) Wild-Type Complexed With Co" 100.00 153 99.35 100.00 3.16e-103
PDB 1DWS "Photolyzed Carbonmonoxy Myoglobin (Horse Heart)" 100.00 153 99.35 100.00 3.16e-103
PDB 1DWT "Photorelaxed Horse Heart Myoglobin Co Complex" 100.00 153 99.35 100.00 3.16e-103
PDB 1GJN "Hydrogen Peroxide Derived Myoglobin Compound Ii At Ph 5.2" 100.00 153 99.35 100.00 3.16e-103
PDB 1HRM "The Proximal Ligand Variant His93tyr Of Horse Heart Myoglobin" 100.00 153 98.69 100.00 1.40e-102
PDB 1HSY "Origin Of The Ph-Dependent Spectroscopic Properties Of Pentacoordinate Metmyoglobin Variants" 100.00 153 98.69 99.35 5.02e-102
PDB 1NPF "Myoglobin (Horse Heart) Wild-Type Complexed With Nitric Oxide" 100.00 153 99.35 100.00 3.16e-103
PDB 1NPG "Myoglobin (Horse Heart) Wild-Type Complexed With Nitrosoethane" 100.00 153 99.35 100.00 3.16e-103
PDB 1NZ2 "K45e Variant Of Horse Heart Myoglobin" 100.00 153 98.69 100.00 1.35e-102
PDB 1NZ3 "K45e-K63e Variant Of Horse Heart Myoglobin" 100.00 153 98.04 100.00 4.86e-102
PDB 1NZ4 "The Horse Heart Myoglobin Variant K45eK63E COMPLEXED WITH Cadmium" 100.00 153 98.04 100.00 4.86e-102
PDB 1NZ5 "The Horse Heart Myoglobin Variant K45eK63E COMPLEXED WITH Manganese" 100.00 153 98.04 100.00 4.86e-102
PDB 1RSE "Myoglobin (horse Heart) Mutant With Ser 92 Replaced By Asp (s92d)" 100.00 153 98.69 99.35 2.39e-102
PDB 1WLA "Myoglobin (horse Heart) Recombinant Wild-type" 100.00 153 99.35 100.00 3.16e-103
PDB 1XCH "Myoglobin (Horse Heart) Mutant With Leu 104 Replaced By Asn (L104n)" 100.00 153 98.69 99.35 3.50e-102
PDB 1YMA "Structural Characterization Of Heme Ligation In The His64-- >tyr Variant Of Myoglobin" 100.00 153 98.69 100.00 1.40e-102
PDB 1YMB "High Resolution Study Of The Three-Dimensional Structure Of Horse Heart Metmyoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 1YMC "Three-Dimensional Structure Of Cyanomet-Sulfmyoglobin C" 100.00 153 99.35 100.00 3.16e-103
PDB 2FRF "Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak" 100.00 153 99.35 100.00 3.16e-103
PDB 2FRI "Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized" 100.00 153 99.35 100.00 3.16e-103
PDB 2FRJ "Nitrosyl Horse Heart Myoglobin, NitriteDITHIONITE METHOD" 100.00 153 99.35 100.00 3.16e-103
PDB 2FRK "Nitrosyl Horse Heart Myoglobin, Nitric Oxide Gas Method" 100.00 153 99.35 100.00 3.16e-103
PDB 2IN4 "Crystal Structure Of Myoglobin With Charge Neutralized Heme, Zndmb-Dme" 100.00 153 99.35 100.00 3.16e-103
PDB 2NSR "Nitromethane Modified Horse Heart Myoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 2NSS "Nitrobenzene Modified Horse Heart Myoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 2O58 "Horse Heart Met Manganese Myoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5B "Manganese Horse Heart Myoglobin, Reduced" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5L "Manganese Horse Heart Myoglobin, Methanol Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5M "Manganese Horse Heart Myoglobin, Azide Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5O "Manganese Horse Heart Myoglobin, Nitrite Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5Q "Manganese Horse Heart Myoglobin, Nitric Oxide Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5S "Cobalt Horse Heart Myoglobin, Nitrite Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 2O5T "Cobalt Horse Heart Myoglobin, Oxidized" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1E "Crystal Structure Of Radiation-Induced Myoglobin Compound Ii - Intermediate H At Ph 6.8" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1F "Crystal Structure Of Radiation-Induced Myoglobin Compound Ii - Intermediate H At Ph 8.7" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1G "Crystal Structure Of Radiation-Induced Myoglobin Compound Ii - Intermediate H At Ph 5.2" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1H "Crystal Structure Of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin At Ph 5.2" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1I "Crystal Structure Of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin At Ph 6.8" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1J "Crystal Structure Of Radiation-Induced Metmyoglobin - Aqua Ferrous Myoglobin At Ph 8.7" 100.00 153 99.35 100.00 3.16e-103
PDB 2V1K "Crystal Structure Of Ferrous Deoxymyoglobin At Ph 6.8" 100.00 153 99.35 100.00 3.16e-103
PDB 2VLX "Crystal Structure Of Peroxymyoglobin Generated By Cryoradiolytic Reduction Of Myoglobin Compound Iii" 100.00 153 99.35 100.00 3.16e-103
PDB 2VLY "Crystal Structure Of Myoglobin Compound Iii (Radiation- Induced)" 100.00 153 99.35 100.00 3.16e-103
PDB 2VLZ "Crystal Structure Of Peroxymyoglobin Generated By Cryoradiolytic Reduction Of Myoglobin Compound Iii" 100.00 153 99.35 100.00 3.16e-103
PDB 2VM0 "Crystal Structure Of Radiation-Induced Myoglobin Compound Ii Generated After Annealing Of Peroxymyoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 3BA2 "Cyanide Bound Chlorin Substituted Myoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 3HC9 "Ferric Horse Heart Myoglobin; H64v Mutant" 100.00 153 98.69 99.35 8.11e-102
PDB 3HEN "Ferric Horse Heart Myoglobin; H64vV67R MUTANT" 100.00 153 98.04 98.69 8.13e-101
PDB 3HEO "Ferric Horse Heart Myoglobin; H64vV67R MUTANT, NITRITE Modified" 100.00 153 98.04 98.69 8.13e-101
PDB 3HEP "Ferric Horse Heart Myoglobin; H64v Mutant, Nitrite Modified" 100.00 153 98.69 99.35 8.11e-102
PDB 3LR7 "Ferric Horse Heart Myoglobin, Nitrite Adduct" 100.00 153 99.35 100.00 3.16e-103
PDB 3LR9 "X-Ray Photogenerated Ferrous Horse Heart Myoglobin, Nitrite Adduct" 100.00 153 99.35 100.00 3.16e-103
PDB 3RJ6 "Crystal Structure Of Horse Heart Ferric Myoglobin; K45eK63EK96E Mutant" 100.00 153 97.39 100.00 1.86e-101
PDB 3RJN "Horse Heart Myoglobin: D44kD60K MUTANT WITH ZINC (II) - Deuteroporphyrin Dimethyl Ester" 100.00 153 98.04 98.69 4.56e-101
PDB 3V2V "Nitrite Bound Chlorin Substituted Myoglobin- Method 1" 100.00 153 99.35 100.00 3.16e-103
PDB 3V2Z "Nitrite Bound Chlorin Substituted Myoglobin- Method 2" 100.00 153 99.35 100.00 3.16e-103
PDB 3VAU "Myoglobin Nitrite Structure: Nitriheme Modified" 100.00 153 99.35 100.00 3.16e-103
PDB 3VM9 "Dimeric Horse Myoglobin" 100.00 153 99.35 100.00 3.16e-103
PDB 3WFT "Crystal Structure Of Horse Heart Myoglobin Reconstituted With Cobalt(ii) Tetradehydrocorrin" 100.00 153 99.35 100.00 3.16e-103
PDB 3WFU "Crystal Structure Of Horse Heart Myoglobin Reconstituted With Cobalt(i) Tetradehydrocorrin" 100.00 153 99.35 100.00 3.16e-103
PDB 3WI8 "Crystal Structure Of Horse Heart Myoglobin Reconstituted With Manganese Porphycene" 100.00 153 99.35 100.00 3.16e-103
PDB 3WYO "Heterodimeric Myoglobin Formed By Domain Swapping" 100.00 153 98.04 99.35 7.44e-102
PDB 4DC7 "Crystal Structure Of Myoglobin Exposed To Excessive Sonicc Imaging Laser Dose." 99.35 152 99.34 100.00 1.51e-102
PDB 4DC8 "Crystal Structure Of Myoglobin Unexposed To Excessive Sonicc Imaging Laser Dose." 99.35 152 99.34 100.00 1.51e-102
PDB 5CMV "Ultrafast Dynamics In Myoglobin: Dark-state, Co-ligated Structure" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN4 "Ultrafast Dynamics In Myoglobin: -0.1 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN5 "Ultrafast Dynamics In Myoglobin: 0 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN6 "Ultrafast Dynamics In Myoglobin: 0.1 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN7 "Ultrafast Dynamics In Myoglobin: 0.2 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN8 "Ultrafast Dynamics In Myoglobin: 0.3 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CN9 "Ultrafast Dynamics In Myoglobin: 0.4 Ps Time Delay" 99.35 153 99.34 100.00 1.56e-102
PDB 5CNB "Ultrafast Dynamics In Myoglobin: 0.5 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CNC "Ultrafast Dynamics In Myoglobin: 0.6 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CND "Ultrafast Dynamics In Myoglobin: 3 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CNE "Ultrafast Dynamics In Myoglobin: 10 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CNF "Ultrafast Dynamics In Myoglobin: 50 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5CNG "Ultrafast Dynamics In Myoglobin: 150 Ps Time Delay" 99.35 152 99.34 100.00 1.51e-102
PDB 5D5R "Horse-heart Myoglobin - Deoxy State" 99.35 152 99.34 100.00 1.51e-102
REF NP_001157488 "myoglobin [Equus caballus]" 100.00 154 99.35 100.00 3.03e-103
REF XP_008542050 "PREDICTED: myoglobin [Equus przewalskii]" 100.00 154 99.35 100.00 3.03e-103
SP P68082 "RecName: Full=Myoglobin" 100.00 154 99.35 100.00 3.03e-103
SP P68083 "RecName: Full=Myoglobin" 100.00 154 99.35 100.00 3.03e-103
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Tissue
$myoglobin Horse 9796 Eukaryota Metazoa Equus caballus 'skeletal muscle'
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
$myoglobin 'not available' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_one
_Saveframe_category sample
_Sample_type solution
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_list
_Saveframe_category NMR_spectrometer
_Manufacturer unknown
_Model unknown
_Field_strength 0
_Details 'spectrometer information not available'
save_
#############################
# NMR applied experiments #
#############################
save__1
_Saveframe_category NMR_applied_experiment
_Sample_label $sample_one
save_
#######################
# Sample conditions #
#######################
save_sample_condition_set_one
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.7 . na
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_par_set_one
_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_citation_label
_Correction_value_citation_label
H2O/HDO H . . ppm 4.76 . . . . . $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_assignment_data_set_one
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $sample_condition_set_one
_Chem_shift_reference_set_label $chem_shift_reference_par_set_one
_Mol_system_component_name myoglobin
_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 LEU HG H 1.16 . 1
2 . 2 LEU HD1 H .28 . 1
3 . 2 LEU HD2 H -.41 . 1
4 . 7 TRP HD1 H 7.04 . 1
5 . 7 TRP HE1 H 9.74 . 1
6 . 7 TRP HE3 H 7.46 . 1
7 . 7 TRP HZ2 H 7.13 . 1
8 . 7 TRP HZ3 H 7.07 . 1
9 . 7 TRP HH2 H 7.28 . 1
10 . 14 TRP HD1 H 7.04 . 1
11 . 14 TRP HE1 H 10.3 . 1
12 . 14 TRP HE3 H 7.15 . 1
13 . 14 TRP HZ2 H 7.59 . 1
14 . 14 TRP HZ3 H 6.7 . 1
15 . 14 TRP HH2 H 6.97 . 1
16 . 17 VAL HA H 1.74 . 1
17 . 17 VAL HB H .88 . 1
18 . 17 VAL HG1 H -.47 . 1
19 . 17 VAL HG2 H -.04 . 1
20 . 24 HIS HD2 H 6.26 . 1
21 . 24 HIS HE1 H 7.99 . 1
22 . 29 LEU HB2 H .11 . 1
23 . 29 LEU HB3 H .11 . 1
24 . 29 LEU HG H .84 . 1
25 . 29 LEU HD1 H -.25 . 1
26 . 29 LEU HD2 H -.71 . 1
27 . 33 PHE HD1 H 6.93 . 1
28 . 33 PHE HD2 H 6.93 . 1
29 . 33 PHE HE1 H 6.37 . 1
30 . 33 PHE HE2 H 6.37 . 1
31 . 33 PHE HZ H 5.06 . 1
32 . 36 HIS HD2 H 7.17 . 1
33 . 36 HIS HE1 H 8.06 . 1
34 . 40 LEU HG H 1.17 . 1
35 . 40 LEU HD1 H .32 . 1
36 . 40 LEU HD2 H .11 . 1
37 . 43 PHE HD1 H 7.21 . 1
38 . 43 PHE HD2 H 7.21 . 1
39 . 43 PHE HE1 H 6.1 . 1
40 . 43 PHE HE2 H 6.1 . 1
41 . 43 PHE HZ H 4.67 . 1
42 . 46 PHE HA H 5.05 . 1
43 . 46 PHE HD1 H 6.67 . 1
44 . 46 PHE HD2 H 6.67 . 1
45 . 46 PHE HE1 H 6.51 . 1
46 . 46 PHE HE2 H 6.51 . 1
47 . 46 PHE HZ H 6.63 . 1
48 . 48 HIS HD2 H 7.12 . 1
49 . 48 HIS HE1 H 8.25 . 1
50 . 55 MET HE H 1.7 . 1
51 . 64 HIS HD2 H 4.83 . 1
52 . 67 VAL HB H 1.88 . 1
53 . 67 VAL HG1 H 1.07 . 1
54 . 67 VAL HG2 H .65 . 1
55 . 68 VAL HA H 3.2 . 1
56 . 68 VAL HB H .84 . 1
57 . 68 VAL HG1 H -.57 . 1
58 . 68 VAL HG2 H -2.32 . 1
59 . 69 LEU HG H 1.75 . 1
60 . 69 LEU HD1 H .77 . 1
61 . 69 LEU HD2 H .6 . 1
62 . 71 ALA HA H 4.59 . 1
63 . 71 ALA HB H 2.43 . 1
64 . 89 LEU HG H .63 . 1
65 . 89 LEU HD1 H .29 . 1
66 . 89 LEU HD2 H .42 . 1
67 . 94 ALA HA H 2.9 . 1
68 . 94 ALA HB H .46 . 1
69 . 97 HIS HE1 H 8.3 . 1
70 . 106 PHE HD1 H 6.9 . 1
71 . 106 PHE HD2 H 6.9 . 1
72 . 106 PHE HE1 H 7.44 . 1
73 . 106 PHE HE2 H 7.44 . 1
74 . 106 PHE HZ H 7.44 . 1
75 . 115 LEU HG H 1.7 . 1
76 . 115 LEU HD1 H .67 . 1
77 . 115 LEU HD2 H .47 . 1
78 . 119 HIS HD2 H 6.97 . 1
79 . 119 HIS HE1 H 8.57 . 1
80 . 123 PHE HD1 H 7.04 . 1
81 . 123 PHE HD2 H 7.04 . 1
82 . 123 PHE HE1 H 7.25 . 1
83 . 123 PHE HE2 H 7.25 . 1
84 . 123 PHE HZ H 7.16 . 1
85 . 131 MET HE H 2.25 . 1
86 . 138 PHE HD1 H 7.07 . 1
87 . 138 PHE HD2 H 7.07 . 1
88 . 138 PHE HE1 H 7.11 . 1
89 . 138 PHE HE2 H 7.11 . 1
90 . 138 PHE HZ H 6.98 . 1
91 . 142 ILE HB H 1.28 . 1
92 . 142 ILE HG12 H .43 . 2
93 . 142 ILE HG13 H .74 . 2
94 . 142 ILE HG2 H -.19 . 1
95 . 142 ILE HD1 H -.21 . 1
96 . 146 TYR HD1 H 6.59 . 1
97 . 146 TYR HD2 H 6.59 . 1
98 . 146 TYR HE1 H 6.42 . 1
99 . 146 TYR HE2 H 6.42 . 1
100 . 151 PHE HD1 H 6.49 . 1
101 . 151 PHE HD2 H 6.49 . 1
102 . 151 PHE HE1 H 6.88 . 1
103 . 151 PHE HE2 H 6.88 . 1
104 . 151 PHE HZ H 6.56 . 1
stop_
save_