NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	640581	6o1q RC	30575	cing	1-original	2	XPLOR/CNS	distance	NOE	ambi

# Restraints file 4: amb.tbl
assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HB3
	 ) 6.0 4.5 4.5 volume=8944144.000 peak=1 ppm1=2.515 ppm2=3.021

assign ( resid 58 and name HB3
	 or resid 58 and name HB2
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=27474224.000 peak=2 ppm1=2.171 ppm2=0.837

assign ( resid 60 and name HD1#
	 or resid 96 and name HD1#
	 )
       ( resid 25 and name HA
	 or resid 57 and name HA
	 ) 2.4 0.7 0.7 volume=105931320.000 peak=3 ppm1=0.808 ppm2=3.869

assign ( resid 69 and name H
	 )
       ( resid 69 and name HD2
	 or resid 69 and name HD3
	 ) 4.1 2.1 2.1 volume=304487.750 peak=4 ppm1=7.416 ppm2=1.626

assign ( resid 107 and name HD1#
	 or resid 107 and name HG2#
	 )
       ( resid 50 and name HB3
	 ) 4.5 2.5 2.5 volume=17946416.000 peak=5 ppm1=0.950 ppm2=3.264

assign ( resid 64 and name HG2
	 or resid 64 and name HG3
	 )
       ( resid 64 and name HE3
	 or resid 64 and name HE2
	 ) 3.6 1.6 1.6 volume=30517370.000 peak=6 ppm1=1.395 ppm2=2.789

assign ( resid 119 and name H
	 )
       ( resid 118 and name HA
	 or resid 119 and name HA
	 ) 2.7 0.9 0.9 volume=645112.000 peak=7 ppm1=7.772 ppm2=4.469

assign ( resid 21 and name HD22
	 )
       ( resid 18 and name HB3
	 or resid 18 and name HB2
	 ) 5.1 3.3 3.3 volume=62798.500 peak=8 ppm1=9.774 ppm2=1.964

assign ( resid 57 and name H
	 )
       ( resid 57 and name HD3
	 or resid 57 and name HD2
	 ) 4.7 2.8 2.8 volume=156572.750 peak=9 ppm1=8.300 ppm2=1.609

assign ( resid 54 and name HD1#
	 )
       ( resid 57 and name HD2
	 or resid 104 and name HB#
	 ) 4.6 2.6 2.6 volume=17426.625 peak=10 ppm1=0.580 ppm2=1.561

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HB
	 or resid 107 and name HB
	 ) 4.5 2.8 2.6 volume=23765.875 peak=11 ppm1=6.844 ppm2=2.020

assign ( resid 42 and name HB2
	 or resid 42 and name HB3
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 5.8 4.2 4.2 volume=8995634.000 peak=12 ppm1=2.316 ppm2=1.770

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HB2
	 or resid 27 and name HG3
	 ) 3.9 1.9 1.9 volume=222533.500 peak=13 ppm1=7.255 ppm2=2.423

assign ( resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HG3
	 ) 2.2 0.6 0.6 volume=102068320.000 peak=14 ppm1=1.325 ppm2=1.161

assign ( resid 33 and name H
	 )
       ( resid 31 and name HB2
	 or resid 32 and name HG
	 ) 3.9 1.9 1.9 volume=212727.375 peak=15 ppm1=8.052 ppm2=1.559

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB2
	 or resid 26 and name HB3
	 ) 2.4 0.7 0.7 volume=666807.375 peak=16 ppm1=7.812 ppm2=2.289

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HB2
	 or resid 32 and name HB3
	 ) 3.2 1.3 1.3 volume=28783650.000 peak=17 ppm1=3.973 ppm2=1.961

assign ( resid 51 and name HB2
	 or resid 51 and name HB3
	 )
       ( resid 48 and name HD2
	 ) 4.6 2.6 2.6 volume=11102128.000 peak=18 ppm1=2.180 ppm2=7.197

assign ( resid 18 and name H
	 )
       ( resid 17 and name HB3
	 or resid 18 and name HG2
	 ) 3.4 1.5 1.5 volume=414943.375 peak=19 ppm1=8.769 ppm2=1.756

assign ( resid 100 and name HB2
	 or resid 100 and name HB3
	 )
       ( resid 100 and name HA
	 ) 2.6 0.8 0.8 volume=38693364.000 peak=20 ppm1=1.922 ppm2=4.138

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 103 and name HD1#
	 ) 2.2 0.6 0.6 volume=178430624.000 peak=21 ppm1=1.551 ppm2=1.005

assign ( resid 51 and name HE22
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.1 2.1 2.1 volume=150166.750 peak=22 ppm1=7.556 ppm2=2.178

assign ( resid 83 and name HB2
	 or resid 83 and name HB3
	 )
       ( resid 83 and name HA
	 ) 2.5 0.8 0.8 volume=228880736.000 peak=23 ppm1=2.881 ppm2=4.327

assign ( resid 27 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 56 and name HD1#
	 ) 3.8 1.8 1.8 volume=194335.625 peak=24 ppm1=7.973 ppm2=0.837

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HB3
	 or resid 118 and name HB3
	 ) 3.0 1.1 1.1 volume=66869520.000 peak=25 ppm1=4.473 ppm2=2.263

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HD3
	 or resid 118 and name HD3
	 ) 4.5 2.6 2.6 volume=17999228.000 peak=26 ppm1=4.473 ppm2=3.812

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HG2
	 ) 2.9 1.0 1.0 volume=25897788.000 peak=27 ppm1=2.936 ppm2=1.101

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HB3
	 ) 5.6 4.0 4.0 volume=11705746.000 peak=28 ppm1=2.930 ppm2=1.584

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 12 and name HA
	 ) 2.9 1.1 1.1 volume=32475.000 peak=29 ppm1=3.800 ppm2=5.028

assign ( resid 77 and name H
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 3.2 1.3 1.3 volume=115046.750 peak=30 ppm1=8.193 ppm2=3.954

assign ( resid 78 and name HD2
	 or resid 118 and name HD2
	 )
       ( resid 78 and name HB3
	 or resid 118 and name HB3
	 ) 5.0 3.2 3.2 volume=9483344.000 peak=31 ppm1=3.660 ppm2=2.263

assign ( resid 21 and name H
	 )
       ( resid 20 and name HG3
	 or resid 20 and name HG2
	 ) 4.1 2.2 2.2 volume=121319.125 peak=32 ppm1=9.050 ppm2=1.785

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HD2
	 or resid 118 and name HD2
	 ) 4.2 2.2 2.2 volume=26574790.000 peak=33 ppm1=4.472 ppm2=3.663

assign ( resid 86 and name H
	 )
       ( resid 86 and name HD3
	 or resid 86 and name HG2
	 ) 4.1 2.1 2.1 volume=298358.750 peak=34 ppm1=8.237 ppm2=1.331

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HA
	 ) 2.5 0.8 0.8 volume=135761504.000 peak=35 ppm1=2.414 ppm2=4.159

assign ( resid 17 and name HB2
	 or resid 17 and name HB3
	 )
       ( resid 17 and name HA
	 ) 2.6 0.8 0.8 volume=152114640.000 peak=36 ppm1=1.750 ppm2=4.048

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HD3
	 ) 4.4 2.4 2.4 volume=15846717.000 peak=37 ppm1=2.394 ppm2=3.985

assign ( resid 87 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 2.4 0.7 0.7 volume=690645.250 peak=38 ppm1=8.044 ppm2=2.174

assign ( resid 104 and name H
	 )
       ( resid 103 and name HB3
	 or resid 104 and name HB#
	 ) 2.3 0.6 0.6 volume=943049.625 peak=39 ppm1=8.533 ppm2=1.554

assign ( resid 48 and name H
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 2.7 0.9 0.9 volume=404783.250 peak=40 ppm1=7.802 ppm2=2.184

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 13 and name HA
	 ) 3.9 1.9 1.9 volume=30799402.000 peak=41 ppm1=3.796 ppm2=4.353

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 3.1 1.2 1.2 volume=63309808.000 peak=42 ppm1=3.857 ppm2=2.171

assign ( resid 47 and name H
	 )
       ( resid 46 and name HB3
	 or resid 46 and name HB2
	 ) 2.9 1.0 1.0 volume=205481.625 peak=43 ppm1=8.068 ppm2=1.926

assign ( resid 88 and name H
	 )
       ( resid 88 and name HG2
	 or resid 88 and name HG3
	 ) 2.8 1.0 1.0 volume=325326.000 peak=44 ppm1=8.257 ppm2=2.561

assign ( resid 25 and name HD3
	 or resid 25 and name HD2
	 )
       ( resid 96 and name HD1#
	 ) 3.0 1.1 1.1 volume=67274240.000 peak=45 ppm1=2.209 ppm2=0.779

assign ( resid 51 and name HA
	 or resid 108 and name HB2
	 )
       ( resid 50 and name HE#
	 ) 4.0 2.0 2.0 volume=28354688.000 peak=46 ppm1=3.873 ppm2=6.839

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 2.1 0.5 0.5 volume=129684848.000 peak=47 ppm1=2.946 ppm2=1.582

assign ( resid 77 and name H
	 )
       ( resid 75 and name HB3
	 or resid 75 and name HB2
	 ) 6.1 4.7 4.7 volume=70358.000 peak=48 ppm1=8.194 ppm2=2.011

assign ( resid 85 and name HD2
	 or resid 85 and name HD3
	 )
       ( resid 14 and name HD1#
	 ) 3.8 1.8 1.8 volume=27974868.000 peak=49 ppm1=3.150 ppm2=0.637

assign ( resid 34 and name H
	 or resid 114 and name H
	 )
       ( resid 31 and name HA
	 or resid 113 and name HB
	 ) 2.9 1.1 1.1 volume=433876.625 peak=50 ppm1=8.385 ppm2=4.206

assign ( resid 41 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 or resid 45 and name HB3
	 ) 4.4 2.5 2.5 volume=88065.500 peak=51 ppm1=7.528 ppm2=2.071

assign ( resid 64 and name H
	 )
       ( resid 64 and name HG2
	 or resid 64 and name HG3
	 ) 4.6 2.6 2.6 volume=110136.625 peak=52 ppm1=9.023 ppm2=1.371

assign ( resid 109 and name H
	 )
       ( resid 107 and name H
	 or resid 110 and name H
	 ) 3.2 1.3 1.3 volume=309897.125 peak=53 ppm1=7.863 ppm2=8.227

assign ( resid 94 and name H
	 )
       ( resid 91 and name HA
	 or resid 93 and name HA
	 ) 3.3 1.4 1.4 volume=200696.750 peak=54 ppm1=8.411 ppm2=3.958

assign ( resid 63 and name H
	 )
       ( resid 62 and name HB2
	 or resid 62 and name HG3
	 ) 3.8 1.8 1.8 volume=220535.125 peak=55 ppm1=8.177 ppm2=2.266

assign ( resid 102 and name H
	 )
       ( resid 99 and name HA
	 or resid 101 and name HA
	 ) 3.2 1.3 1.3 volume=211742.625 peak=56 ppm1=8.008 ppm2=4.103

assign ( resid 61 and name HB2
	 or resid 65 and name HB2
	 )
       ( resid 58 and name HA
	 or resid 62 and name HA
	 ) 2.6 0.9 0.9 volume=145416288.000 peak=57 ppm1=2.849 ppm2=4.160

assign ( resid 49 and name H
	 )
       ( resid 49 and name HG2#
	 or resid 49 and name HD1#
	 ) 3.4 1.4 1.4 volume=336190.625 peak=58 ppm1=8.385 ppm2=0.875

assign ( resid 45 and name HB2
	 or resid 45 and name HB3
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 2.5 0.8 0.8 volume=100647072.000 peak=59 ppm1=2.050 ppm2=1.462

assign ( resid 24 and name HD2#
	 )
       ( resid 24 and name HB3
	 or resid 24 and name HB2
	 ) 2.3 0.7 0.7 volume=133515600.000 peak=60 ppm1=0.850 ppm2=1.956

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HA
	 ) 3.9 1.9 1.9 volume=37911.500 peak=61 ppm1=2.515 ppm2=4.525

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HB2
	 or resid 52 and name HB3
	 ) 4.7 2.7 2.7 volume=62649.875 peak=62 ppm1=7.178 ppm2=1.895

assign ( resid 92 and name H
	 )
       ( resid 92 and name HB2
	 or resid 92 and name HB3
	 ) 2.6 0.9 0.9 volume=329448.625 peak=63 ppm1=7.741 ppm2=1.725

assign ( resid 31 and name HD2#
	 or resid 49 and name HD1#
	 )
       ( resid 34 and name HB2
	 ) 3.3 1.4 1.4 volume=29919668.000 peak=64 ppm1=0.861 ppm2=2.275

assign ( resid 86 and name HD3
	 or resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 82 and name HE#
	 ) 4.7 2.8 2.8 volume=13490431.000 peak=65 ppm1=1.340 ppm2=6.794

assign ( resid 52 and name HE
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 4.5 2.6 2.6 volume=47175.250 peak=66 ppm1=7.170 ppm2=0.820

assign ( resid 18 and name HD3
	 or resid 18 and name HD2
	 )
       ( resid 18 and name HA
	 ) 5.0 3.1 3.1 volume=25356050.000 peak=67 ppm1=3.139 ppm2=4.082

assign ( resid 105 and name H
	 or resid 108 and name H
	 )
       ( resid 105 and name HA
	 ) 2.5 0.8 0.8 volume=692994.625 peak=68 ppm1=7.949 ppm2=3.900

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HB2
	 ) 5.7 4.1 4.1 volume=13916272.000 peak=69 ppm1=2.935 ppm2=1.514

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 16 and name HB#
	 ) 4.0 2.0 2.0 volume=36949584.000 peak=70 ppm1=2.359 ppm2=1.481

assign ( resid 70 and name H
	 )
       ( resid 69 and name HB2
	 or resid 70 and name HB2
	 ) 2.5 0.8 0.8 volume=580112.625 peak=71 ppm1=7.341 ppm2=1.845

assign ( resid 33 and name H
	 )
       ( resid 30 and name HA
	 or resid 33 and name HA
	 ) 2.7 0.9 0.9 volume=493981.250 peak=72 ppm1=8.052 ppm2=4.234

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HD3
	 or resid 38 and name HD2
	 ) 4.5 2.5 2.5 volume=66020572.000 peak=73 ppm1=4.087 ppm2=1.724

assign ( resid 46 and name HD3
	 or resid 50 and name HB3
	 )
       ( resid 107 and name HB
	 ) 4.8 2.8 2.8 volume=14690459.000 peak=74 ppm1=3.249 ppm2=2.024

assign ( resid 53 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.2 2.2 2.2 volume=169445.000 peak=75 ppm1=8.424 ppm2=2.172

assign ( resid 45 and name HG2
	 or resid 45 and name HG3
	 )
       ( resid 42 and name HG3
	 ) 5.8 4.3 4.2 volume=11918641.000 peak=76 ppm1=1.470 ppm2=2.527

assign ( resid 23 and name H
	 )
       ( resid 23 and name HG2
	 or resid 23 and name HG3
	 ) 3.2 1.3 1.3 volume=316535.750 peak=77 ppm1=7.737 ppm2=2.483

assign ( resid 45 and name H
	 )
       ( resid 45 and name HB2
	 or resid 45 and name HB3
	 ) 2.3 0.7 0.7 volume=613013.375 peak=78 ppm1=7.748 ppm2=2.057

assign ( resid 85 and name H
	 )
       ( resid 85 and name HB3
	 or resid 85 and name HB2
	 ) 2.7 0.9 0.9 volume=366217.125 peak=79 ppm1=8.100 ppm2=2.152

assign ( resid 86 and name HD3
	 or resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HE3
	 ) 3.0 1.2 1.2 volume=38296064.000 peak=80 ppm1=1.326 ppm2=3.046

assign ( resid 90 and name H
	 )
       ( resid 87 and name HA
	 or resid 89 and name HA
	 ) 3.2 1.3 1.3 volume=212296.875 peak=81 ppm1=8.322 ppm2=4.214

assign ( resid 90 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 4.0 2.0 2.0 volume=190393.625 peak=82 ppm1=8.323 ppm2=2.156

assign ( resid 26 and name H
	 )
       ( resid 25 and name HD3
	 or resid 25 and name HD2
	 ) 4.2 2.2 2.2 volume=232475.000 peak=83 ppm1=7.811 ppm2=2.150

assign ( resid 47 and name H
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 3.5 1.5 1.5 volume=225648.125 peak=84 ppm1=8.069 ppm2=2.501

assign ( resid 107 and name HD1#
	 or resid 107 and name HG2#
	 )
       ( resid 50 and name HB2
	 ) 3.3 1.3 1.3 volume=16913900.000 peak=85 ppm1=0.953 ppm2=3.133

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HA
	 ) 5.5 4.4 3.8 volume=7753512.500 peak=86 ppm1=2.931 ppm2=3.659

assign ( resid 85 and name HB3
	 or resid 85 and name HB2
	 )
       ( resid 86 and name HA
	 ) 3.8 1.8 1.8 volume=31553378.000 peak=87 ppm1=2.154 ppm2=3.693

assign ( resid 18 and name H
	 )
       ( resid 17 and name H
	 or resid 19 and name H
	 ) 2.7 0.9 0.9 volume=348497.375 peak=88 ppm1=8.768 ppm2=7.927

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HA
	 or resid 104 and name HA
	 ) 4.2 2.3 2.2 volume=34396.000 peak=89 ppm1=6.840 ppm2=4.050

assign ( resid 68 and name H
	 )
       ( resid 67 and name HD1#
	 or resid 67 and name HD2#
	 ) 4.2 2.2 2.2 volume=99760.625 peak=90 ppm1=7.748 ppm2=0.750

assign ( resid 54 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.6 2.6 2.6 volume=88507.875 peak=91 ppm1=7.615 ppm2=2.161

assign ( resid 69 and name HB3
	 or resid 107 and name HB
	 )
       ( resid 66 and name HA
	 or resid 104 and name HA
	 ) 3.0 1.1 1.1 volume=54717216.000 peak=92 ppm1=2.022 ppm2=4.062

assign ( resid 55 and name H
	 )
       ( resid 56 and name HG
	 or resid 56 and name HB2
	 ) 4.5 2.5 2.5 volume=91666.750 peak=93 ppm1=7.978 ppm2=1.213

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HG2
	 or resid 13 and name HG3
	 ) 3.3 1.3 1.3 volume=132283608.000 peak=94 ppm1=4.344 ppm2=2.058

assign ( resid 24 and name HD2#
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 2.8 1.0 1.0 volume=50696336.000 peak=95 ppm1=0.862 ppm2=1.174

assign ( resid 17 and name H
	 )
       ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 ) 3.6 1.7 1.7 volume=241530.125 peak=96 ppm1=7.923 ppm2=0.889

assign ( resid 32 and name H
	 )
       ( resid 32 and name HD1#
	 or resid 32 and name HD2#
	 ) 3.0 1.1 1.1 volume=303670.000 peak=97 ppm1=8.737 ppm2=0.868

assign ( resid 92 and name H
	 )
       ( resid 89 and name HA
	 or resid 92 and name HA
	 ) 2.7 0.9 0.9 volume=431844.000 peak=98 ppm1=7.740 ppm2=4.215

assign ( resid 51 and name H
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 3.5 1.5 2.5 volume=355639.625 peak=99 ppm1=8.338 ppm2=2.250

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB3
	 or resid 9 and name HB2
	 ) 2.5 0.8 0.8 volume=633088.875 peak=100 ppm1=8.316 ppm2=1.815

assign ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 4.6 2.7 2.7 volume=16403982.000 peak=101 ppm1=0.937 ppm2=3.937

assign ( resid 78 and name HD3
	 or resid 118 and name HD3
	 )
       ( resid 78 and name HD2
	 or resid 118 and name HD2
	 ) 1.4 0.2 0.2 volume=961550976.000 peak=102 ppm1=3.807 ppm2=3.657

assign ( resid 66 and name HB#
	 or resid 104 and name HB#
	 )
       ( resid 66 and name HA
	 or resid 104 and name HA
	 ) 1.9 0.4 0.4 volume=413014080.000 peak=103 ppm1=1.561 ppm2=4.062

assign ( resid 54 and name HA
	 )
       ( resid 57 and name HG2
	 or resid 57 and name HG3
	 ) 5.3 3.6 3.5 volume=16925848.000 peak=104 ppm1=3.604 ppm2=1.454

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 2.7 0.9 0.9 volume=91938416.000 peak=105 ppm1=4.296 ppm2=1.589

assign ( resid 39 and name H
	 )
       ( resid 37 and name HB3
	 or resid 38 and name HB3
	 or resid 38 and name HB2
	 ) 2.6 0.8 0.8 volume=502785.250 peak=106 ppm1=8.796 ppm2=1.888

assign ( resid 50 and name HA
	 or resid 55 and name HA
	 )
       ( resid 54 and name HD1#
	 ) 4.4 2.5 2.5 volume=16773072.000 peak=107 ppm1=4.058 ppm2=0.584

assign ( resid 25 and name H
	 or resid 60 and name H
	 )
       ( resid 60 and name HD1#
	 or resid 96 and name HD1#
	 ) 3.1 1.2 1.2 volume=461961.000 peak=108 ppm1=8.505 ppm2=0.800

assign ( resid 53 and name H
	 )
       ( resid 52 and name HB2
	 or resid 52 and name HB3
	 ) 2.8 1.0 1.0 volume=281774.000 peak=109 ppm1=8.425 ppm2=1.908

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HG3
	 or resid 20 and name HG2
	 ) 3.1 1.2 1.2 volume=116066.375 peak=110 ppm1=7.317 ppm2=1.805

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB3
	 or resid 67 and name HG
	 ) 3.5 1.5 1.5 volume=226436.625 peak=111 ppm1=7.747 ppm2=1.613

assign ( resid 13 and name HG2
	 or resid 13 and name HG3
	 )
       ( resid 13 and name HB2
	 or resid 13 and name HB3
	 ) 2.8 1.0 1.0 volume=78186680.000 peak=112 ppm1=2.051 ppm2=2.348

assign ( resid 85 and name H
	 )
       ( resid 84 and name HA
	 or resid 85 and name HA
	 ) 2.9 1.0 1.0 volume=302922.375 peak=113 ppm1=8.098 ppm2=4.116

assign ( resid 52 and name HB2
	 or resid 52 and name HB3
	 )
       ( resid 48 and name HD2
	 ) 4.4 2.4 2.4 volume=18799424.000 peak=114 ppm1=1.880 ppm2=7.197

assign ( resid 50 and name HD#
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 5.3 3.8 3.5 volume=16580109.000 peak=115 ppm1=7.071 ppm2=2.534

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 82 and name HE#
	 ) 3.8 1.8 1.8 volume=48975964.000 peak=116 ppm1=1.725 ppm2=6.793

assign ( resid 51 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 2.7 0.9 0.9 volume=307008.625 peak=117 ppm1=8.336 ppm2=2.170

assign ( resid 88 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 2.7 0.9 0.9 volume=395643.875 peak=118 ppm1=8.256 ppm2=2.163

assign ( resid 50 and name HE#
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 4.9 3.0 3.0 volume=4366131.000 peak=119 ppm1=6.849 ppm2=2.504

assign ( resid 16 and name HB#
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 3.6 1.7 1.7 volume=42858360.000 peak=120 ppm1=1.466 ppm2=1.997

assign ( resid 30 and name HB3
	 or resid 30 and name HB2
	 or resid 33 and name HB3
	 )
       ( resid 30 and name HA
	 ) 2.4 0.7 0.7 volume=349339808.000 peak=121 ppm1=4.013 ppm2=4.278

assign ( resid 92 and name H
	 )
       ( resid 90 and name H
	 or resid 94 and name H
	 ) 4.1 2.1 2.1 volume=65683.000 peak=122 ppm1=7.739 ppm2=8.368

assign ( resid 14 and name HD2#
	 or resid 67 and name HD1#
	 )
       ( resid 86 and name HE3
	 ) 3.3 1.4 1.4 volume=41241352.000 peak=123 ppm1=0.751 ppm2=3.048

assign ( resid 24 and name HD1#
	 or resid 60 and name HD1#
	 )
       ( resid 60 and name HA
	 ) 3.2 1.3 1.3 volume=87317400.000 peak=124 ppm1=0.806 ppm2=3.469

assign ( resid 57 and name H
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.6 1.6 1.6 volume=292500.500 peak=125 ppm1=8.300 ppm2=0.869

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 13 and name HA
	 ) 2.7 0.9 0.9 volume=134370096.000 peak=126 ppm1=2.354 ppm2=4.353

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HG2
	 or resid 38 and name HG3
	 ) 2.6 0.9 0.9 volume=169237824.000 peak=127 ppm1=4.084 ppm2=1.513

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 97 and name HG2#
	 ) 3.6 1.6 1.6 volume=30191076.000 peak=128 ppm1=1.597 ppm2=1.236

assign ( resid 19 and name H
	 )
       ( resid 16 and name HA
	 or resid 19 and name HA
	 ) 2.6 0.9 0.9 volume=477012.750 peak=129 ppm1=7.923 ppm2=4.104

assign ( resid 85 and name H
	 )
       ( resid 85 and name HD2
	 or resid 85 and name HD3
	 ) 4.9 3.0 3.0 volume=70254.500 peak=130 ppm1=8.097 ppm2=3.142

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HD2
	 ) 4.5 2.6 2.6 volume=20103732.000 peak=131 ppm1=2.397 ppm2=3.901

assign ( resid 18 and name H
	 )
       ( resid 18 and name HB3
	 or resid 18 and name HB2
	 ) 2.6 0.8 0.8 volume=389721.000 peak=132 ppm1=8.768 ppm2=1.987

assign ( resid 21 and name H
	 )
       ( resid 20 and name H
	 or resid 22 and name H
	 ) 2.6 0.8 0.8 volume=388371.625 peak=133 ppm1=9.049 ppm2=7.947

assign ( resid 42 and name HB2
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.9 3.0 3.0 volume=18948768.000 peak=134 ppm1=2.297 ppm2=1.464

assign ( resid 90 and name H
	 )
       ( resid 92 and name HB2
	 or resid 92 and name HB3
	 ) 4.0 2.0 2.0 volume=148905.875 peak=135 ppm1=8.320 ppm2=1.718

assign ( resid 31 and name H
	 )
       ( resid 31 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.5 1.5 1.5 volume=247050.125 peak=136 ppm1=7.943 ppm2=0.844

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 54 and name HA
	 ) 3.9 1.9 1.9 volume=32251930.000 peak=137 ppm1=1.608 ppm2=3.597

assign ( resid 59 and name H
	 )
       ( resid 56 and name HA
	 or resid 59 and name HA
	 ) 2.5 0.8 0.8 volume=538290.125 peak=138 ppm1=7.634 ppm2=4.182

assign ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 2.4 0.7 0.7 volume=145350736.000 peak=139 ppm1=0.898 ppm2=1.762

assign ( resid 42 and name HA
	 or resid 44 and name HA
	 )
       ( resid 43 and name HA
	 ) 4.2 2.2 2.2 volume=25474088.000 peak=140 ppm1=4.524 ppm2=4.159

assign ( resid 93 and name HB2
	 or resid 93 and name HB3
	 )
       ( resid 93 and name HA
	 ) 3.4 1.4 1.4 volume=8511618.000 peak=141 ppm1=1.282 ppm2=3.967

assign ( resid 51 and name HB2
	 or resid 51 and name HB3
	 )
       ( resid 50 and name HA
	 ) 5.2 3.4 3.4 volume=17814914.000 peak=142 ppm1=2.154 ppm2=4.021

assign ( resid 60 and name HB
	 or resid 64 and name HB2
	 )
       ( resid 61 and name HB3
	 ) 5.8 4.2 4.2 volume=9040519.000 peak=143 ppm1=1.983 ppm2=2.639

assign ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 )
       ( resid 17 and name HG
	 ) 1.8 0.4 0.4 volume=195167888.000 peak=144 ppm1=0.888 ppm2=1.722

assign ( resid 37 and name HB2
	 or resid 37 and name HB3
	 )
       ( resid 37 and name HA
	 ) 2.3 0.7 0.7 volume=188693632.000 peak=145 ppm1=1.911 ppm2=4.431

assign ( resid 48 and name HA
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 3.7 1.7 1.7 volume=50976244.000 peak=146 ppm1=4.521 ppm2=2.216

# Restraints file 5: unam.tbl
assign ( resid 61 and name H
	 )
       ( resid 61 and name HA
	 ) 3.0 1.1 1.1 volume=243958.000 peak=1 ppm1=8.377 ppm2=4.348

assign ( resid 97 and name H
	 )
       ( resid 97 and name HG2#
	 ) 3.9 1.9 1.9 volume=149825.125 peak=2 ppm1=8.157 ppm2=1.238

assign ( resid 97 and name H
	 )
       ( resid 97 and name HA
	 ) 3.1 1.2 1.2 volume=190940.750 peak=3 ppm1=8.158 ppm2=3.681

assign ( resid 97 and name H
	 )
       ( resid 97 and name HB
	 ) 2.8 1.0 1.0 volume=262673.375 peak=4 ppm1=8.158 ppm2=4.527

assign ( resid 117 and name H
	 )
       ( resid 117 and name HA
	 ) 3.1 1.2 1.2 volume=205692.625 peak=5 ppm1=8.082 ppm2=4.628

assign ( resid 117 and name H
	 )
       ( resid 117 and name HB#
	 ) 2.4 0.7 0.7 volume=552816.500 peak=6 ppm1=8.083 ppm2=1.367

assign ( resid 116 and name H
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 2.5 0.8 0.8 volume=966208.375 peak=7 ppm1=8.481 ppm2=3.935

assign ( resid 114 and name H
	 )
       ( resid 114 and name HA
	 ) 2.3 0.7 0.7 volume=1165650.125 peak=8 ppm1=8.389 ppm2=4.335

assign ( resid 113 and name H
	 )
       ( resid 113 and name HG2#
	 ) 3.2 1.3 1.3 volume=337990.750 peak=9 ppm1=8.228 ppm2=1.189

assign ( resid 112 and name H
	 )
       ( resid 112 and name HA
	 ) 2.5 0.8 0.8 volume=530668.375 peak=10 ppm1=8.099 ppm2=4.239

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG12
	 ) 3.7 1.7 1.7 volume=318679.250 peak=11 ppm1=8.099 ppm2=1.443

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG13
	 ) 2.3 0.6 0.6 volume=414325.625 peak=12 ppm1=8.099 ppm2=1.170

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG2#
	 ) 3.5 1.5 1.5 volume=375444.000 peak=13 ppm1=8.099 ppm2=0.886

assign ( resid 111 and name H
	 )
       ( resid 111 and name HA
	 ) 2.6 0.9 0.9 volume=535969.750 peak=14 ppm1=8.362 ppm2=4.699

assign ( resid 109 and name H
	 )
       ( resid 109 and name HA
	 ) 2.2 0.6 0.6 volume=831455.750 peak=15 ppm1=7.863 ppm2=4.270

assign ( resid 109 and name H
	 )
       ( resid 109 and name HD3
	 ) 5.4 3.7 3.7 volume=84393.750 peak=16 ppm1=7.864 ppm2=3.177

assign ( resid 109 and name H
	 )
       ( resid 109 and name HG2
	 or resid 109 and name HG3
	 ) 3.1 1.2 1.2 volume=297357.750 peak=17 ppm1=7.864 ppm2=1.702

assign ( resid 109 and name H
	 )
       ( resid 109 and name HB3
	 or resid 109 and name HB2
	 ) 2.8 1.0 1.0 volume=509320.125 peak=18 ppm1=7.863 ppm2=1.875

assign ( resid 108 and name H
	 )
       ( resid 108 and name HA
	 ) 2.9 1.1 1.1 volume=374193.750 peak=19 ppm1=7.939 ppm2=4.271

assign ( resid 107 and name H
	 )
       ( resid 107 and name HA
	 ) 2.6 0.8 0.8 volume=404442.875 peak=20 ppm1=8.236 ppm2=4.105

assign ( resid 93 and name H
	 )
       ( resid 92 and name HD1#
	 or resid 92 and name HD2#
	 ) 3.4 1.4 1.4 volume=306309.375 peak=21 ppm1=8.207 ppm2=0.955

assign ( resid 107 and name H
	 )
       ( resid 107 and name HB
	 ) 2.4 0.7 0.7 volume=390292.500 peak=22 ppm1=8.234 ppm2=2.009

assign ( resid 106 and name H
	 )
       ( resid 106 and name HB
	 ) 2.6 0.8 0.8 volume=390759.500 peak=23 ppm1=7.902 ppm2=4.407

assign ( resid 106 and name H
	 )
       ( resid 106 and name HA
	 ) 2.7 0.9 0.9 volume=504415.875 peak=24 ppm1=7.903 ppm2=4.061

assign ( resid 106 and name H
	 )
       ( resid 106 and name HG2#
	 ) 3.6 1.6 1.6 volume=284632.625 peak=25 ppm1=7.904 ppm2=1.300

assign ( resid 105 and name H
	 )
       ( resid 105 and name HG1#
	 ) 2.4 0.7 0.7 volume=571200.750 peak=26 ppm1=7.960 ppm2=1.125

assign ( resid 105 and name H
	 )
       ( resid 105 and name HB
	 ) 2.4 0.7 0.7 volume=513623.250 peak=27 ppm1=7.960 ppm2=2.259

assign ( resid 102 and name H
	 )
       ( resid 102 and name HA3
	 or resid 102 and name HA2
	 ) 2.4 0.7 0.7 volume=844024.750 peak=29 ppm1=8.004 ppm2=3.911

assign ( resid 101 and name H
	 )
       ( resid 101 and name HB3
	 ) 2.5 0.8 0.8 volume=485030.250 peak=30 ppm1=8.560 ppm2=2.077

assign ( resid 101 and name H
	 )
       ( resid 101 and name HB2
	 ) 2.4 0.7 0.7 volume=469342.625 peak=31 ppm1=8.564 ppm2=2.229

assign ( resid 101 and name H
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 4.3 2.4 2.4 volume=207266.375 peak=32 ppm1=8.565 ppm2=2.456

assign ( resid 101 and name H
	 )
       ( resid 101 and name HA
	 ) 2.6 0.8 0.8 volume=573645.875 peak=33 ppm1=8.564 ppm2=4.117

assign ( resid 100 and name H
	 )
       ( resid 100 and name HD1#
	 or resid 100 and name HD2#
	 ) 2.9 1.0 1.0 volume=261937.625 peak=34 ppm1=8.294 ppm2=0.920

assign ( resid 100 and name H
	 )
       ( resid 100 and name HA
	 ) 2.7 0.9 0.9 volume=299365.000 peak=35 ppm1=8.293 ppm2=4.118

assign ( resid 100 and name H
	 )
       ( resid 100 and name HB3
	 ) 2.3 0.7 0.7 volume=663571.375 peak=36 ppm1=8.293 ppm2=1.905

assign ( resid 98 and name H
	 )
       ( resid 98 and name HA
	 ) 2.5 0.8 0.8 volume=727650.625 peak=37 ppm1=7.922 ppm2=4.086

assign ( resid 98 and name H
	 )
       ( resid 98 and name HB2
	 or resid 98 and name HB3
	 ) 2.4 0.7 0.7 volume=652346.125 peak=38 ppm1=7.921 ppm2=2.254

assign ( resid 98 and name H
	 )
       ( resid 98 and name HG3
	 or resid 98 and name HG2
	 ) 3.5 1.6 1.6 volume=186953.750 peak=39 ppm1=7.921 ppm2=2.555

assign ( resid 95 and name H
	 )
       ( resid 95 and name HA
	 ) 2.7 0.9 0.9 volume=377567.000 peak=40 ppm1=8.194 ppm2=4.116

assign ( resid 63 and name H
	 )
       ( resid 63 and name HA
	 ) 2.8 1.0 1.0 volume=334270.875 peak=41 ppm1=8.173 ppm2=4.501

assign ( resid 95 and name H
	 )
       ( resid 95 and name HB2
	 ) 2.4 0.7 0.7 volume=525717.125 peak=42 ppm1=8.195 ppm2=2.076

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB3
	 ) 2.9 1.1 1.1 volume=262976.250 peak=43 ppm1=8.410 ppm2=2.662

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB2
	 ) 2.8 1.0 1.0 volume=334680.250 peak=44 ppm1=8.410 ppm2=2.774

assign ( resid 94 and name H
	 )
       ( resid 94 and name HA
	 ) 3.2 1.2 1.2 volume=230886.125 peak=45 ppm1=8.410 ppm2=4.450

assign ( resid 88 and name H
	 )
       ( resid 88 and name HA
	 ) 2.7 0.9 0.9 volume=457622.500 peak=46 ppm1=8.257 ppm2=4.089

assign ( resid 110 and name H
	 )
       ( resid 110 and name HA
	 ) 2.3 0.6 0.6 volume=1361105.250 peak=47 ppm1=8.209 ppm2=4.265

assign ( resid 88 and name H
	 )
       ( resid 88 and name HB2
	 ) 2.3 0.7 0.7 volume=620045.250 peak=48 ppm1=8.256 ppm2=2.338

assign ( resid 87 and name H
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 3.0 1.2 1.2 volume=299538.625 peak=51 ppm1=8.044 ppm2=2.354

assign ( resid 87 and name H
	 )
       ( resid 87 and name HA
	 ) 2.9 1.0 1.0 volume=320273.125 peak=52 ppm1=8.043 ppm2=4.168

assign ( resid 91 and name H
	 )
       ( resid 89 and name HA
	 ) 2.9 1.0 3.1 volume=558847.500 peak=53 ppm1=8.693 ppm2=4.321

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB3
	 ) 3.8 1.8 1.8 volume=290382.750 peak=54 ppm1=8.322 ppm2=3.292

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB2
	 ) 2.6 0.8 0.8 volume=262032.250 peak=55 ppm1=8.322 ppm2=3.435

assign ( resid 89 and name H
	 )
       ( resid 89 and name HA
	 ) 2.9 1.1 1.1 volume=283425.625 peak=56 ppm1=7.792 ppm2=4.200

assign ( resid 89 and name H
	 )
       ( resid 89 and name HB3
	 ) 3.0 1.2 1.2 volume=197500.000 peak=57 ppm1=7.795 ppm2=1.984

assign ( resid 86 and name H
	 )
       ( resid 86 and name HA
	 ) 2.9 1.1 1.1 volume=227359.750 peak=58 ppm1=8.247 ppm2=3.689

assign ( resid 84 and name H
	 )
       ( resid 84 and name HB3
	 ) 2.4 0.7 0.7 volume=710736.250 peak=59 ppm1=8.090 ppm2=2.148

assign ( resid 84 and name H
	 )
       ( resid 84 and name HG2
	 ) 3.7 1.7 1.7 volume=136689.750 peak=60 ppm1=8.093 ppm2=2.429

assign ( resid 84 and name H
	 )
       ( resid 84 and name HA
	 ) 2.7 0.9 0.9 volume=403962.500 peak=61 ppm1=8.089 ppm2=4.096

assign ( resid 83 and name H
	 )
       ( resid 83 and name HB3
	 ) 2.5 0.8 0.8 volume=578352.500 peak=62 ppm1=8.827 ppm2=2.876

assign ( resid 83 and name H
	 )
       ( resid 83 and name HA
	 ) 3.0 1.1 1.1 volume=274436.500 peak=63 ppm1=8.840 ppm2=4.320

assign ( resid 82 and name H
	 )
       ( resid 82 and name HA
	 ) 3.1 1.2 1.2 volume=243946.250 peak=64 ppm1=7.805 ppm2=3.785

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB2
	 ) 2.9 1.1 1.1 volume=355527.750 peak=65 ppm1=7.804 ppm2=3.251

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB3
	 ) 2.5 0.8 0.8 volume=407563.375 peak=66 ppm1=7.804 ppm2=2.958

assign ( resid 81 and name H
	 )
       ( resid 81 and name HA
	 ) 2.7 0.9 0.9 volume=406545.125 peak=67 ppm1=8.611 ppm2=4.726

assign ( resid 81 and name H
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 3.1 1.2 1.2 volume=218516.875 peak=68 ppm1=8.611 ppm2=2.921

assign ( resid 80 and name H
	 )
       ( resid 80 and name HA
	 ) 2.2 0.6 0.6 volume=994672.250 peak=69 ppm1=8.670 ppm2=4.215

assign ( resid 80 and name H
	 )
       ( resid 80 and name HB#
	 ) 2.3 0.7 0.7 volume=732650.375 peak=70 ppm1=8.669 ppm2=1.419

assign ( resid 77 and name H
	 )
       ( resid 77 and name HB#
	 ) 2.3 0.7 0.7 volume=452673.625 peak=71 ppm1=8.190 ppm2=1.342

assign ( resid 77 and name H
	 )
       ( resid 77 and name HA
	 ) 2.8 0.9 0.9 volume=253658.250 peak=72 ppm1=8.191 ppm2=4.715

assign ( resid 74 and name H
	 )
       ( resid 74 and name HA
	 ) 3.2 1.3 1.3 volume=243040.875 peak=73 ppm1=7.842 ppm2=4.567

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB2
	 ) 3.0 1.1 1.1 volume=325268.000 peak=74 ppm1=7.842 ppm2=2.701

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB3
	 ) 3.0 1.1 1.1 volume=225571.500 peak=75 ppm1=7.843 ppm2=2.820

assign ( resid 73 and name H
	 )
       ( resid 73 and name HA
	 ) 2.7 0.9 0.9 volume=394105.500 peak=76 ppm1=8.006 ppm2=4.143

assign ( resid 73 and name H
	 )
       ( resid 73 and name HB#
	 ) 2.0 0.5 0.5 volume=900443.625 peak=77 ppm1=8.005 ppm2=1.357

assign ( resid 70 and name H
	 )
       ( resid 70 and name HA
	 ) 2.8 1.0 1.0 volume=273225.750 peak=78 ppm1=7.341 ppm2=4.333

assign ( resid 37 and name H
	 )
       ( resid 37 and name HA
	 ) 2.7 0.9 0.9 volume=321319.875 peak=79 ppm1=7.433 ppm2=4.402

assign ( resid 69 and name H
	 )
       ( resid 69 and name HA
	 ) 2.8 1.0 1.0 volume=375801.375 peak=80 ppm1=7.415 ppm2=4.225

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB3
	 ) 2.7 0.9 0.9 volume=327072.625 peak=81 ppm1=7.415 ppm2=2.019

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB2
	 ) 2.5 0.8 0.8 volume=471794.125 peak=82 ppm1=7.415 ppm2=1.823

assign ( resid 68 and name H
	 )
       ( resid 68 and name HA
	 ) 2.9 1.0 1.0 volume=336371.000 peak=84 ppm1=7.747 ppm2=4.158

assign ( resid 68 and name H
	 )
       ( resid 68 and name HG3
	 or resid 68 and name HG2
	 ) 4.4 2.4 2.4 volume=200932.000 peak=85 ppm1=7.747 ppm2=2.581

assign ( resid 67 and name H
	 )
       ( resid 67 and name HA
	 ) 2.7 0.9 0.9 volume=401757.500 peak=86 ppm1=8.225 ppm2=3.855

assign ( resid 66 and name H
	 )
       ( resid 66 and name HA
	 ) 2.6 0.9 0.9 volume=452988.250 peak=87 ppm1=8.165 ppm2=4.058

assign ( resid 66 and name H
	 )
       ( resid 66 and name HB#
	 ) 2.1 0.5 0.5 volume=862004.875 peak=88 ppm1=8.164 ppm2=1.557

assign ( resid 65 and name H
	 )
       ( resid 65 and name HA
	 ) 2.9 1.0 1.0 volume=357547.500 peak=89 ppm1=7.996 ppm2=4.459

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.5 1.5 1.5 volume=493228.125 peak=90 ppm1=7.996 ppm2=2.936

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB2
	 ) 2.4 0.7 0.7 volume=393232.875 peak=91 ppm1=7.997 ppm2=2.855

assign ( resid 64 and name H
	 )
       ( resid 64 and name HD3
	 or resid 64 and name HD2
	 ) 4.2 2.2 2.2 volume=301155.875 peak=93 ppm1=9.022 ppm2=1.721

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB2
	 or resid 64 and name HB3
	 ) 2.5 0.8 0.8 volume=341331.125 peak=94 ppm1=9.022 ppm2=2.033

assign ( resid 63 and name H
	 )
       ( resid 63 and name HB3
	 ) 2.6 0.8 0.8 volume=442855.500 peak=96 ppm1=8.173 ppm2=2.894

assign ( resid 62 and name H
	 )
       ( resid 62 and name HA
	 ) 2.6 0.8 0.8 volume=649258.375 peak=97 ppm1=8.200 ppm2=4.172

assign ( resid 61 and name H
	 )
       ( resid 61 and name HB3
	 ) 3.0 1.1 1.1 volume=251493.750 peak=98 ppm1=8.377 ppm2=2.642

assign ( resid 61 and name H
	 )
       ( resid 61 and name HB2
	 ) 2.7 0.9 0.9 volume=349547.625 peak=99 ppm1=8.377 ppm2=2.846

assign ( resid 58 and name H
	 )
       ( resid 58 and name HG2
	 ) 4.4 2.4 2.4 volume=118736.125 peak=100 ppm1=7.728 ppm2=2.416

assign ( resid 58 and name H
	 )
       ( resid 58 and name HA
	 ) 2.7 0.9 0.9 volume=407990.375 peak=101 ppm1=7.727 ppm2=4.134

assign ( resid 57 and name H
	 )
       ( resid 57 and name HA
	 ) 2.9 1.0 1.0 volume=263771.250 peak=102 ppm1=8.299 ppm2=3.871

assign ( resid 54 and name H
	 )
       ( resid 54 and name HA
	 ) 2.9 1.1 1.1 volume=209531.500 peak=103 ppm1=7.613 ppm2=3.598

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name H
	 ) 4.2 2.2 2.2 volume=133336.000 peak=104 ppm1=0.578 ppm2=7.618

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG12
	 ) 2.5 0.8 0.8 volume=236874.625 peak=106 ppm1=7.612 ppm2=1.225

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG13
	 ) 3.6 1.6 1.6 volume=275940.500 peak=107 ppm1=7.612 ppm2=1.057

assign ( resid 53 and name H
	 )
       ( resid 53 and name HB2
	 ) 2.9 1.1 1.1 volume=249603.125 peak=108 ppm1=8.425 ppm2=2.954

assign ( resid 53 and name H
	 )
       ( resid 53 and name HB3
	 ) 2.7 0.9 0.9 volume=325107.250 peak=109 ppm1=8.425 ppm2=3.136

assign ( resid 53 and name H
	 )
       ( resid 53 and name HA
	 ) 2.9 1.0 1.0 volume=291871.375 peak=110 ppm1=8.426 ppm2=3.893

assign ( resid 52 and name H
	 )
       ( resid 52 and name HA
	 ) 2.7 0.9 0.9 volume=304591.125 peak=111 ppm1=8.120 ppm2=4.044

assign ( resid 51 and name H
	 )
       ( resid 51 and name HA
	 ) 3.0 1.2 1.2 volume=246901.875 peak=112 ppm1=8.338 ppm2=3.856

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB3
	 ) 2.8 1.0 1.0 volume=308179.875 peak=113 ppm1=8.458 ppm2=3.248

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB2
	 ) 2.7 0.9 0.9 volume=347047.625 peak=114 ppm1=8.457 ppm2=3.124

assign ( resid 50 and name H
	 )
       ( resid 50 and name HA
	 ) 2.9 1.1 1.1 volume=269086.375 peak=115 ppm1=8.459 ppm2=4.012

assign ( resid 48 and name H
	 )
       ( resid 48 and name HA
	 ) 2.9 1.1 1.1 volume=330352.250 peak=116 ppm1=7.808 ppm2=4.521

assign ( resid 47 and name H
	 )
       ( resid 47 and name HA
	 ) 2.8 1.0 1.0 volume=335172.875 peak=117 ppm1=8.067 ppm2=4.179

assign ( resid 47 and name H
	 )
       ( resid 47 and name HB3
	 ) 2.3 0.7 0.7 volume=738391.500 peak=118 ppm1=8.068 ppm2=2.208

assign ( resid 41 and name H
	 )
       ( resid 41 and name HA
	 ) 3.0 1.1 1.1 volume=255078.750 peak=123 ppm1=7.529 ppm2=4.287

assign ( resid 41 and name H
	 )
       ( resid 41 and name HD2#
	 ) 3.9 1.9 1.9 volume=211422.125 peak=124 ppm1=7.529 ppm2=0.928

assign ( resid 40 and name H
	 )
       ( resid 40 and name HA
	 ) 2.2 0.6 0.6 volume=644300.125 peak=125 ppm1=7.793 ppm2=4.132

assign ( resid 38 and name H
	 )
       ( resid 38 and name HA
	 ) 2.8 1.0 1.0 volume=328875.875 peak=127 ppm1=8.725 ppm2=4.082

assign ( resid 36 and name H
	 )
       ( resid 36 and name HA
	 ) 2.9 1.1 1.1 volume=337322.125 peak=128 ppm1=7.347 ppm2=4.355

assign ( resid 36 and name H
	 )
       ( resid 36 and name HG2
	 or resid 36 and name HG3
	 ) 3.2 1.3 1.3 volume=211947.625 peak=129 ppm1=7.345 ppm2=2.541

assign ( resid 33 and name H
	 )
       ( resid 33 and name HB3
	 or resid 33 and name HB2
	 ) 2.5 0.8 0.8 volume=745751.125 peak=130 ppm1=8.052 ppm2=4.023

assign ( resid 32 and name H
	 )
       ( resid 32 and name HA
	 ) 2.7 0.9 0.9 volume=255270.750 peak=132 ppm1=8.738 ppm2=3.972

assign ( resid 31 and name H
	 )
       ( resid 31 and name HA
	 ) 2.8 1.0 1.0 volume=321287.750 peak=133 ppm1=7.944 ppm2=4.219

assign ( resid 30 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 2.5 0.8 0.8 volume=778930.875 peak=134 ppm1=8.209 ppm2=4.011

assign ( resid 30 and name H
	 )
       ( resid 30 and name HA
	 ) 2.8 1.0 1.0 volume=419316.250 peak=135 ppm1=8.209 ppm2=4.277

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB2
	 ) 2.6 0.9 0.9 volume=319983.500 peak=136 ppm1=8.919 ppm2=2.792

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB3
	 ) 3.9 1.9 1.9 volume=285380.250 peak=137 ppm1=8.919 ppm2=2.614

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB
	 ) 2.4 0.7 0.7 volume=374271.500 peak=139 ppm1=8.827 ppm2=2.325

assign ( resid 28 and name H
	 )
       ( resid 28 and name HG2#
	 ) 2.5 0.8 0.8 volume=316652.000 peak=140 ppm1=8.828 ppm2=1.114

assign ( resid 23 and name H
	 )
       ( resid 23 and name HA
	 ) 2.8 0.9 0.9 volume=423290.500 peak=142 ppm1=7.736 ppm2=4.144

assign ( resid 21 and name H
	 )
       ( resid 21 and name HA
	 ) 2.9 1.0 1.0 volume=224361.750 peak=143 ppm1=9.049 ppm2=4.470

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.0 1.1 1.1 volume=206322.250 peak=144 ppm1=9.039 ppm2=3.271

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB#
	 ) 2.2 0.6 0.6 volume=582547.125 peak=147 ppm1=8.036 ppm2=1.476

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 2.7 0.9 0.9 volume=329576.625 peak=148 ppm1=8.036 ppm2=4.111

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 ) 2.7 0.9 0.9 volume=240033.625 peak=149 ppm1=8.517 ppm2=2.747

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB3
	 ) 3.6 1.6 1.6 volume=195218.500 peak=150 ppm1=8.516 ppm2=2.874

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.9 1.0 1.0 volume=278435.000 peak=151 ppm1=8.517 ppm2=5.027

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 3.6 1.6 1.6 volume=54865.000 peak=152 ppm1=9.162 ppm2=4.167

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 3.4 1.4 1.4 volume=61420.000 peak=153 ppm1=9.172 ppm2=2.024

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB2
	 ) 4.9 3.0 3.0 volume=40475.500 peak=154 ppm1=9.163 ppm2=1.597

assign ( resid 9 and name H
	 )
       ( resid 9 and name HG3
	 or resid 9 and name HG2
	 ) 3.3 1.3 1.3 volume=298099.375 peak=155 ppm1=8.316 ppm2=1.653

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 2.4 0.7 0.7 volume=855267.375 peak=157 ppm1=8.175 ppm2=4.287

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB#
	 ) 2.2 0.6 0.6 volume=770623.875 peak=158 ppm1=8.175 ppm2=1.388

assign ( resid 93 and name H
	 )
       ( resid 93 and name HA
	 ) 2.9 1.0 1.0 volume=224387.875 peak=160 ppm1=8.203 ppm2=3.968

assign ( resid 56 and name H
	 )
       ( resid 56 and name HA
	 ) 2.7 0.9 0.9 volume=273566.250 peak=163 ppm1=8.696 ppm2=4.134

assign ( resid 117 and name H
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 2.6 0.8 0.8 volume=648378.000 peak=164 ppm1=8.083 ppm2=3.936

assign ( resid 116 and name H
	 )
       ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 ) 3.7 1.7 1.7 volume=224872.250 peak=165 ppm1=8.481 ppm2=0.939

assign ( resid 116 and name H
	 )
       ( resid 115 and name HB
	 ) 4.1 2.1 2.1 volume=132337.500 peak=166 ppm1=8.481 ppm2=2.081

assign ( resid 116 and name H
	 )
       ( resid 115 and name HA
	 ) 2.4 0.7 0.7 volume=766886.000 peak=167 ppm1=8.481 ppm2=4.090

assign ( resid 34 and name H
	 )
       ( resid 34 and name HA
	 ) 2.4 0.7 0.7 volume=617055.000 peak=168 ppm1=8.377 ppm2=4.052

assign ( resid 104 and name H
	 )
       ( resid 103 and name HD2#
	 ) 4.0 2.0 2.0 volume=143062.375 peak=169 ppm1=8.533 ppm2=0.868

assign ( resid 104 and name H
	 )
       ( resid 103 and name HD1#
	 ) 3.9 1.9 1.9 volume=159039.125 peak=170 ppm1=8.534 ppm2=0.981

assign ( resid 108 and name H
	 )
       ( resid 107 and name HB
	 ) 2.9 1.0 1.0 volume=223871.875 peak=171 ppm1=7.940 ppm2=2.011

assign ( resid 106 and name H
	 )
       ( resid 105 and name HG2#
	 ) 3.0 1.1 1.1 volume=303563.125 peak=172 ppm1=7.906 ppm2=0.988

assign ( resid 107 and name H
	 )
       ( resid 106 and name HB
	 ) 2.7 0.9 0.9 volume=224070.000 peak=173 ppm1=8.234 ppm2=4.408

assign ( resid 106 and name H
	 )
       ( resid 105 and name HB
	 ) 2.7 0.9 0.9 volume=289571.500 peak=174 ppm1=7.905 ppm2=2.258

assign ( resid 108 and name H
	 )
       ( resid 107 and name H
	 ) 2.4 0.7 0.7 volume=480371.750 peak=176 ppm1=7.938 ppm2=8.234

assign ( resid 105 and name H
	 )
       ( resid 105 and name HG2#
	 ) 3.2 1.3 1.3 volume=434497.750 peak=177 ppm1=7.951 ppm2=0.983

assign ( resid 105 and name H
	 )
       ( resid 104 and name HB#
	 ) 2.4 0.7 0.7 volume=431866.125 peak=178 ppm1=7.959 ppm2=1.554

assign ( resid 104 and name H
	 )
       ( resid 104 and name HA
	 ) 2.6 0.8 0.8 volume=389317.875 peak=182 ppm1=8.533 ppm2=4.072

assign ( resid 104 and name H
	 )
       ( resid 103 and name H
	 ) 2.7 0.9 0.9 volume=307800.750 peak=184 ppm1=8.533 ppm2=7.543

assign ( resid 103 and name H
	 )
       ( resid 103 and name HA
	 ) 2.9 1.1 1.1 volume=273967.250 peak=185 ppm1=7.541 ppm2=4.338

assign ( resid 103 and name H
	 )
       ( resid 100 and name HA
	 ) 3.2 1.2 1.2 volume=216935.250 peak=186 ppm1=7.542 ppm2=4.118

assign ( resid 103 and name H
	 )
       ( resid 102 and name HA2
	 ) 3.0 1.1 1.1 volume=300110.125 peak=187 ppm1=7.542 ppm2=3.911

assign ( resid 103 and name H
	 )
       ( resid 103 and name HD2#
	 ) 3.9 1.9 1.9 volume=221020.875 peak=188 ppm1=7.543 ppm2=0.859

assign ( resid 103 and name H
	 )
       ( resid 103 and name HD1#
	 ) 4.1 2.1 2.1 volume=188842.875 peak=189 ppm1=7.542 ppm2=0.990

assign ( resid 103 and name H
	 )
       ( resid 103 and name HB3
	 or resid 103 and name HB2
	 ) 2.5 0.8 0.8 volume=499530.375 peak=190 ppm1=7.542 ppm2=1.566

assign ( resid 102 and name H
	 )
       ( resid 101 and name HB3
	 ) 4.0 2.0 2.0 volume=178908.000 peak=194 ppm1=8.005 ppm2=2.092

assign ( resid 102 and name H
	 )
       ( resid 101 and name HB2
	 ) 2.9 1.1 1.1 volume=188801.375 peak=195 ppm1=8.005 ppm2=2.236

assign ( resid 101 and name H
	 )
       ( resid 100 and name HD1#
	 ) 3.8 1.8 1.8 volume=192841.500 peak=198 ppm1=8.558 ppm2=0.894

assign ( resid 99 and name H
	 )
       ( resid 98 and name HG3
	 or resid 98 and name HG2
	 ) 3.4 1.5 1.5 volume=313199.625 peak=200 ppm1=8.478 ppm2=2.624

assign ( resid 99 and name H
	 )
       ( resid 99 and name HA
	 ) 2.6 0.9 0.9 volume=518292.250 peak=201 ppm1=8.481 ppm2=4.074

assign ( resid 98 and name H
	 )
       ( resid 97 and name HG2#
	 ) 3.5 1.5 1.5 volume=163338.500 peak=204 ppm1=7.920 ppm2=1.227

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB#
	 ) 2.4 0.7 0.7 volume=408213.500 peak=205 ppm1=7.922 ppm2=1.476

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB3
	 ) 2.3 0.7 0.7 volume=745912.500 peak=206 ppm1=7.924 ppm2=1.740

assign ( resid 98 and name H
	 )
       ( resid 97 and name HB
	 ) 2.7 0.9 0.9 volume=256268.625 peak=207 ppm1=7.921 ppm2=4.532

assign ( resid 99 and name H
	 )
       ( resid 98 and name H
	 ) 2.7 0.9 0.9 volume=246687.000 peak=208 ppm1=8.478 ppm2=7.925

assign ( resid 97 and name H
	 )
       ( resid 60 and name HD1#
	 ) 3.5 1.5 1.5 volume=138174.750 peak=209 ppm1=8.157 ppm2=0.773

assign ( resid 97 and name H
	 )
       ( resid 96 and name HD2#
	 ) 4.3 2.3 2.3 volume=141822.500 peak=210 ppm1=8.156 ppm2=0.940

assign ( resid 97 and name H
	 )
       ( resid 98 and name H
	 ) 2.9 1.1 1.1 volume=201873.750 peak=211 ppm1=8.158 ppm2=7.921

assign ( resid 97 and name H
	 )
       ( resid 96 and name H
	 ) 3.0 1.1 1.1 volume=145982.875 peak=212 ppm1=8.156 ppm2=8.607

assign ( resid 30 and name H
	 )
       ( resid 29 and name H
	 ) 2.8 1.0 1.0 volume=245189.125 peak=214 ppm1=8.209 ppm2=8.915

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB3
	 ) 3.8 1.8 1.8 volume=220367.000 peak=215 ppm1=8.209 ppm2=2.618

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB2
	 ) 2.9 1.0 1.0 volume=248537.250 peak=216 ppm1=8.208 ppm2=2.789

assign ( resid 10 and name H
	 )
       ( resid 9 and name HG3
	 ) 4.2 2.2 2.2 volume=139050.000 peak=217 ppm1=8.428 ppm2=1.659

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.1 0.6 3.9 volume=1294566.000 peak=218 ppm1=8.429 ppm2=4.311

assign ( resid 91 and name H
	 )
       ( resid 91 and name HA
	 ) 2.8 1.0 1.0 volume=352410.750 peak=222 ppm1=8.695 ppm2=3.946

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB3
	 ) 3.8 1.8 1.8 volume=130292.375 peak=223 ppm1=8.694 ppm2=3.290

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB2
	 ) 3.1 1.2 1.2 volume=165438.375 peak=224 ppm1=8.694 ppm2=3.436

assign ( resid 91 and name H
	 )
       ( resid 91 and name HG2#
	 ) 3.9 1.9 1.9 volume=194190.750 peak=225 ppm1=8.695 ppm2=1.286

assign ( resid 90 and name H
	 )
       ( resid 67 and name HD2#
	 ) 3.3 1.3 1.3 volume=214838.000 peak=228 ppm1=8.323 ppm2=0.747

assign ( resid 21 and name H
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 2.9 1.0 1.0 volume=328980.625 peak=233 ppm1=9.049 ppm2=1.994

assign ( resid 21 and name H
	 )
       ( resid 18 and name HA
	 ) 3.2 1.2 1.2 volume=193703.125 peak=234 ppm1=9.050 ppm2=4.076

assign ( resid 44 and name H
	 )
       ( resid 46 and name H
	 ) 4.3 2.3 2.3 volume=58125.875 peak=236 ppm1=9.009 ppm2=8.549

assign ( resid 44 and name H
	 )
       ( resid 43 and name HA
	 ) 3.3 1.4 1.4 volume=151432.125 peak=237 ppm1=9.008 ppm2=4.153

assign ( resid 44 and name H
	 )
       ( resid 43 and name HB3
	 ) 3.4 1.4 1.4 volume=183980.750 peak=238 ppm1=9.009 ppm2=2.406

assign ( resid 44 and name H
	 )
       ( resid 43 and name HD2
	 ) 3.4 1.5 1.5 volume=134367.875 peak=239 ppm1=9.007 ppm2=3.910

assign ( resid 79 and name H
	 )
       ( resid 80 and name H
	 ) 3.1 1.2 1.2 volume=77834.250 peak=240 ppm1=8.256 ppm2=8.677

assign ( resid 80 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 3.1 1.2 1.2 volume=320964.250 peak=241 ppm1=8.670 ppm2=1.043

assign ( resid 83 and name H
	 )
       ( resid 82 and name H
	 ) 2.9 1.1 1.1 volume=198392.375 peak=243 ppm1=8.840 ppm2=7.801

assign ( resid 83 and name H
	 )
       ( resid 82 and name HA
	 ) 3.9 1.9 1.9 volume=88203.375 peak=246 ppm1=8.841 ppm2=3.782

assign ( resid 83 and name H
	 )
       ( resid 81 and name HA
	 ) 4.1 2.1 2.1 volume=61211.000 peak=247 ppm1=8.841 ppm2=4.732

assign ( resid 77 and name H
	 )
       ( resid 78 and name HD2
	 ) 3.5 1.5 1.5 volume=102728.875 peak=248 ppm1=8.191 ppm2=3.641

assign ( resid 77 and name H
	 )
       ( resid 76 and name HA
	 ) 3.1 1.2 1.2 volume=168588.875 peak=250 ppm1=8.192 ppm2=4.383

assign ( resid 70 and name H
	 )
       ( resid 68 and name H
	 ) 4.6 2.6 2.6 volume=55135.625 peak=251 ppm1=7.342 ppm2=7.759

assign ( resid 70 and name H
	 )
       ( resid 71 and name H
	 ) 3.7 1.7 1.7 volume=109906.375 peak=252 ppm1=7.342 ppm2=8.692

assign ( resid 70 and name H
	 )
       ( resid 67 and name HA
	 ) 3.4 1.5 1.5 volume=99473.750 peak=253 ppm1=7.342 ppm2=3.854

assign ( resid 70 and name H
	 )
       ( resid 70 and name HD2#
	 ) 3.1 1.2 1.2 volume=330481.500 peak=254 ppm1=7.342 ppm2=0.900

assign ( resid 37 and name H
	 )
       ( resid 40 and name HB#
	 ) 3.1 1.2 1.2 volume=165289.375 peak=256 ppm1=7.434 ppm2=1.478

assign ( resid 37 and name H
	 )
       ( resid 37 and name HB2
	 ) 2.2 0.6 0.6 volume=803267.125 peak=257 ppm1=7.433 ppm2=1.909

assign ( resid 37 and name H
	 )
       ( resid 37 and name HG
	 ) 2.4 0.7 0.7 volume=312374.250 peak=258 ppm1=7.433 ppm2=1.766

assign ( resid 37 and name H
	 )
       ( resid 38 and name HA
	 ) 3.6 1.6 2.4 volume=208112.750 peak=259 ppm1=7.433 ppm2=4.084

assign ( resid 37 and name H
	 )
       ( resid 40 and name H
	 ) 4.4 2.5 2.5 volume=66931.000 peak=260 ppm1=7.431 ppm2=7.795

assign ( resid 97 and name H
	 )
       ( resid 96 and name HB3
	 ) 4.2 2.2 2.2 volume=89550.750 peak=262 ppm1=8.156 ppm2=1.406

assign ( resid 30 and name H
	 )
       ( resid 28 and name HG1#
	 ) 4.1 2.2 2.2 volume=81751.625 peak=263 ppm1=8.213 ppm2=0.914

assign ( resid 30 and name H
	 )
       ( resid 31 and name HB2
	 ) 4.8 2.9 2.9 volume=71363.750 peak=264 ppm1=8.210 ppm2=1.565

assign ( resid 30 and name H
	 )
       ( resid 31 and name HB3
	 ) 4.9 3.0 3.0 volume=70347.125 peak=265 ppm1=8.209 ppm2=1.951

assign ( resid 30 and name H
	 )
       ( resid 28 and name HB
	 ) 4.5 2.6 2.6 volume=82223.875 peak=266 ppm1=8.210 ppm2=2.316

assign ( resid 33 and name H
	 )
       ( resid 32 and name HD1#
	 ) 4.3 2.3 2.3 volume=122703.375 peak=269 ppm1=8.052 ppm2=0.867

assign ( resid 33 and name H
	 )
       ( resid 32 and name HB3
	 ) 2.9 1.0 1.0 volume=266762.375 peak=271 ppm1=8.052 ppm2=1.944

assign ( resid 41 and name H
	 )
       ( resid 40 and name HB#
	 ) 2.9 1.1 1.1 volume=291454.875 peak=272 ppm1=7.530 ppm2=1.480

assign ( resid 41 and name H
	 )
       ( resid 40 and name HA
	 ) 2.6 0.9 0.9 volume=326869.750 peak=274 ppm1=7.530 ppm2=4.118

assign ( resid 36 and name H
	 )
       ( resid 34 and name HA
	 ) 3.4 1.4 1.4 volume=154920.125 peak=277 ppm1=7.347 ppm2=4.087

assign ( resid 36 and name H
	 )
       ( resid 35 and name HB2
	 or resid 35 and name HB3
	 ) 3.6 1.6 1.6 volume=136341.750 peak=278 ppm1=7.348 ppm2=4.010

assign ( resid 36 and name H
	 )
       ( resid 37 and name HD2#
	 ) 4.3 2.3 2.3 volume=93660.000 peak=279 ppm1=7.346 ppm2=0.979

assign ( resid 36 and name H
	 )
       ( resid 37 and name HB2
	 or resid 37 and name HB3
	 ) 4.3 2.3 2.3 volume=172451.625 peak=280 ppm1=7.349 ppm2=1.927

assign ( resid 36 and name H
	 )
       ( resid 36 and name HB3
	 ) 2.7 0.9 0.9 volume=336554.000 peak=281 ppm1=7.346 ppm2=2.035

assign ( resid 35 and name H
	 )
       ( resid 35 and name HB2
	 or resid 35 and name HB3
	 ) 2.5 0.8 0.8 volume=569359.000 peak=282 ppm1=8.176 ppm2=3.982

assign ( resid 35 and name H
	 )
       ( resid 34 and name HA
	 ) 2.8 0.9 0.9 volume=442911.375 peak=283 ppm1=8.175 ppm2=4.096

assign ( resid 35 and name H
	 )
       ( resid 36 and name H
	 ) 2.8 1.0 1.0 volume=224596.750 peak=284 ppm1=8.176 ppm2=7.351

assign ( resid 35 and name H
	 )
       ( resid 34 and name H
	 ) 2.6 0.9 0.9 volume=287561.875 peak=285 ppm1=8.176 ppm2=8.376

assign ( resid 35 and name H
	 )
       ( resid 31 and name HD2#
	 ) 3.3 1.4 1.4 volume=187848.375 peak=286 ppm1=8.174 ppm2=0.856

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB3
	 ) 3.8 1.8 1.8 volume=157860.375 peak=287 ppm1=8.174 ppm2=2.176

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB2
	 ) 2.9 1.1 1.1 volume=191581.125 peak=288 ppm1=8.175 ppm2=2.272

assign ( resid 96 and name H
	 )
       ( resid 96 and name HD1#
	 ) 3.6 1.6 1.6 volume=202193.500 peak=289 ppm1=8.601 ppm2=0.772

assign ( resid 96 and name H
	 )
       ( resid 96 and name HD2#
	 ) 3.1 1.2 1.2 volume=289585.000 peak=290 ppm1=8.602 ppm2=0.930

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB3
	 ) 3.8 1.8 1.8 volume=152676.125 peak=291 ppm1=8.602 ppm2=1.402

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB2
	 ) 2.7 0.9 0.9 volume=304840.875 peak=292 ppm1=8.602 ppm2=2.085

assign ( resid 96 and name H
	 )
       ( resid 95 and name HA
	 ) 3.9 1.9 1.9 volume=73704.250 peak=293 ppm1=8.600 ppm2=4.114

assign ( resid 96 and name H
	 )
       ( resid 96 and name HA
	 ) 2.9 1.1 1.1 volume=168038.000 peak=294 ppm1=8.600 ppm2=4.273

assign ( resid 96 and name H
	 )
       ( resid 94 and name H
	 ) 4.4 2.4 2.4 volume=55953.125 peak=296 ppm1=8.601 ppm2=8.424

assign ( resid 39 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.9 1.9 1.9 volume=115625.000 peak=297 ppm1=8.795 ppm2=0.983

assign ( resid 39 and name H
	 )
       ( resid 40 and name HB#
	 ) 3.8 1.8 1.8 volume=202617.625 peak=298 ppm1=8.796 ppm2=1.497

assign ( resid 39 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 2.6 0.8 0.8 volume=570161.625 peak=299 ppm1=8.796 ppm2=2.064

assign ( resid 39 and name H
	 )
       ( resid 39 and name HA
	 ) 2.8 1.0 1.0 volume=402540.625 peak=300 ppm1=8.796 ppm2=4.157

assign ( resid 39 and name H
	 )
       ( resid 37 and name HA
	 ) 4.2 2.2 2.2 volume=101254.750 peak=301 ppm1=8.796 ppm2=4.420

assign ( resid 82 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 3.7 1.7 1.7 volume=174506.250 peak=303 ppm1=7.801 ppm2=1.037

assign ( resid 40 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 3.8 1.8 1.8 volume=308391.250 peak=304 ppm1=7.793 ppm2=1.763

assign ( resid 40 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 3.2 1.3 1.3 volume=286451.625 peak=305 ppm1=7.792 ppm2=2.066

assign ( resid 116 and name H
	 )
       ( resid 117 and name H
	 ) 4.2 2.3 2.2 volume=178067.125 peak=309 ppm1=8.483 ppm2=8.081

assign ( resid 59 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=161105.875 peak=310 ppm1=7.633 ppm2=0.840

assign ( resid 59 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.1 0.5 0.5 volume=826646.625 peak=311 ppm1=7.634 ppm2=1.583

assign ( resid 59 and name H
	 )
       ( resid 60 and name HB
	 ) 4.4 2.4 2.4 volume=103906.375 peak=312 ppm1=7.634 ppm2=2.022

assign ( resid 59 and name H
	 )
       ( resid 62 and name HB3
	 ) 3.7 1.7 1.7 volume=256837.000 peak=313 ppm1=7.633 ppm2=2.163

assign ( resid 59 and name H
	 )
       ( resid 57 and name HA
	 ) 4.1 2.1 2.1 volume=62217.625 peak=314 ppm1=7.631 ppm2=3.872

assign ( resid 59 and name H
	 )
       ( resid 61 and name H
	 ) 4.1 2.1 2.1 volume=71200.625 peak=316 ppm1=7.637 ppm2=8.347

assign ( resid 60 and name H
	 )
       ( resid 59 and name H
	 ) 2.7 0.9 0.9 volume=241405.000 peak=317 ppm1=8.508 ppm2=7.641

assign ( resid 69 and name H
	 )
       ( resid 68 and name HB2
	 ) 3.0 1.2 1.2 volume=296114.625 peak=318 ppm1=7.415 ppm2=2.275

assign ( resid 69 and name H
	 )
       ( resid 66 and name HA
	 ) 3.4 1.4 1.4 volume=137971.750 peak=319 ppm1=7.414 ppm2=4.066

assign ( resid 69 and name H
	 )
       ( resid 67 and name H
	 ) 4.1 2.1 2.1 volume=65181.625 peak=321 ppm1=7.415 ppm2=8.199

assign ( resid 51 and name H
	 )
       ( resid 50 and name HD#
	 ) 4.8 2.9 2.9 volume=97711.250 peak=322 ppm1=8.341 ppm2=7.063

assign ( resid 51 and name H
	 )
       ( resid 52 and name H
	 ) 2.6 0.9 0.9 volume=204876.500 peak=323 ppm1=8.339 ppm2=8.119

assign ( resid 51 and name H
	 )
       ( resid 49 and name HG2#
	 ) 4.3 2.3 2.3 volume=69409.000 peak=324 ppm1=8.335 ppm2=0.937

assign ( resid 51 and name H
	 )
       ( resid 51 and name HG3
	 ) 4.6 2.6 2.6 volume=164269.125 peak=326 ppm1=8.338 ppm2=2.633

assign ( resid 51 and name H
	 )
       ( resid 51 and name HG2
	 ) 4.8 2.9 2.9 volume=155696.625 peak=327 ppm1=8.336 ppm2=2.526

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB3
	 ) 2.8 1.0 1.0 volume=228771.000 peak=328 ppm1=8.338 ppm2=3.248

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB2
	 ) 4.2 2.2 2.2 volume=165801.750 peak=329 ppm1=8.338 ppm2=3.128

assign ( resid 51 and name H
	 )
       ( resid 50 and name HA
	 ) 3.6 1.6 1.6 volume=137440.375 peak=330 ppm1=8.338 ppm2=4.017

assign ( resid 51 and name H
	 )
       ( resid 47 and name HA
	 ) 4.3 2.3 2.3 volume=67449.750 peak=331 ppm1=8.336 ppm2=4.173

assign ( resid 51 and name H
	 )
       ( resid 48 and name HA
	 ) 3.6 1.6 1.6 volume=98125.125 peak=332 ppm1=8.337 ppm2=4.515

assign ( resid 111 and name H
	 )
       ( resid 110 and name HB3
	 ) 3.9 1.9 1.9 volume=229408.125 peak=333 ppm1=8.362 ppm2=1.976

assign ( resid 111 and name H
	 )
       ( resid 110 and name HG2
	 ) 5.4 3.7 3.7 volume=65938.750 peak=334 ppm1=8.361 ppm2=2.275

assign ( resid 48 and name H
	 )
       ( resid 47 and name H
	 ) 2.6 0.9 0.9 volume=283498.750 peak=335 ppm1=7.807 ppm2=8.071

assign ( resid 47 and name H
	 )
       ( resid 46 and name H
	 ) 2.8 1.0 1.0 volume=198837.000 peak=336 ppm1=8.067 ppm2=8.553

assign ( resid 47 and name H
	 )
       ( resid 48 and name HA
	 ) 4.4 2.5 2.5 volume=165383.000 peak=337 ppm1=8.069 ppm2=4.518

assign ( resid 47 and name H
	 )
       ( resid 46 and name HA
	 ) 3.7 1.7 1.7 volume=98536.625 peak=338 ppm1=8.068 ppm2=3.957

assign ( resid 47 and name H
	 )
       ( resid 48 and name HB2
	 or resid 48 and name HB3
	 ) 4.8 2.9 2.9 volume=89626.625 peak=339 ppm1=8.070 ppm2=3.411

assign ( resid 47 and name H
	 )
       ( resid 50 and name HB3
	 ) 4.9 3.0 3.0 volume=61996.750 peak=341 ppm1=8.069 ppm2=3.259

assign ( resid 57 and name H
	 )
       ( resid 58 and name H
	 ) 2.7 0.9 0.9 volume=257051.500 peak=342 ppm1=8.299 ppm2=7.728

assign ( resid 58 and name H
	 )
       ( resid 57 and name HA
	 ) 3.7 1.7 1.7 volume=91392.750 peak=343 ppm1=7.727 ppm2=3.869

assign ( resid 58 and name H
	 )
       ( resid 54 and name HA
	 ) 4.1 2.1 2.1 volume=67827.625 peak=344 ppm1=7.729 ppm2=3.604

assign ( resid 58 and name H
	 )
       ( resid 58 and name HB3
	 or resid 58 and name HB2
	 ) 2.6 0.9 0.9 volume=399023.750 peak=345 ppm1=7.728 ppm2=2.169

assign ( resid 58 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=159382.625 peak=346 ppm1=7.726 ppm2=1.591

assign ( resid 58 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.4 1.5 1.5 volume=120679.375 peak=347 ppm1=7.727 ppm2=0.841

assign ( resid 54 and name H
	 )
       ( resid 54 and name HB
	 ) 2.4 0.7 0.7 volume=442164.875 peak=348 ppm1=7.612 ppm2=1.946

assign ( resid 54 and name H
	 )
       ( resid 53 and name HB2
	 ) 2.9 1.1 1.1 volume=154032.875 peak=350 ppm1=7.614 ppm2=2.955

assign ( resid 54 and name H
	 )
       ( resid 53 and name HB3
	 ) 4.2 2.2 2.2 volume=141687.875 peak=351 ppm1=7.613 ppm2=3.130

assign ( resid 54 and name H
	 )
       ( resid 51 and name HA
	 ) 3.2 1.3 1.3 volume=178667.000 peak=352 ppm1=7.613 ppm2=3.869

assign ( resid 54 and name H
	 )
       ( resid 52 and name HA
	 ) 3.7 1.7 1.7 volume=92680.750 peak=353 ppm1=7.612 ppm2=4.043

assign ( resid 53 and name H
	 )
       ( resid 54 and name H
	 ) 2.8 1.0 1.0 volume=180495.375 peak=355 ppm1=8.425 ppm2=7.617

assign ( resid 30 and name H
	 )
       ( resid 31 and name H
	 ) 2.6 0.9 0.9 volume=231087.250 peak=356 ppm1=8.209 ppm2=7.948

assign ( resid 32 and name H
	 )
       ( resid 31 and name H
	 ) 2.8 1.0 1.0 volume=209736.500 peak=357 ppm1=8.743 ppm2=7.943

assign ( resid 31 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 3.0 1.1 1.1 volume=287476.500 peak=358 ppm1=7.944 ppm2=4.005

assign ( resid 31 and name H
	 )
       ( resid 28 and name HA
	 ) 3.5 1.5 1.5 volume=91394.250 peak=359 ppm1=7.944 ppm2=3.487

assign ( resid 31 and name H
	 )
       ( resid 31 and name HB2
	 ) 2.6 0.8 0.8 volume=396252.000 peak=361 ppm1=7.943 ppm2=1.562

assign ( resid 31 and name H
	 )
       ( resid 32 and name HB3
	 ) 3.8 1.8 1.8 volume=345220.375 peak=362 ppm1=7.943 ppm2=1.941

assign ( resid 72 and name H
	 )
       ( resid 72 and name HA
	 ) 3.3 1.3 1.3 volume=85890.500 peak=363 ppm1=8.655 ppm2=3.689

assign ( resid 72 and name H
	 )
       ( resid 71 and name HB3
	 ) 5.0 3.2 3.2 volume=60040.000 peak=364 ppm1=8.652 ppm2=3.959

assign ( resid 72 and name H
	 )
       ( resid 71 and name HA
	 ) 2.7 0.9 0.9 volume=219641.625 peak=365 ppm1=8.652 ppm2=4.758

assign ( resid 81 and name H
	 )
       ( resid 82 and name H
	 ) 3.0 1.1 1.1 volume=122227.625 peak=366 ppm1=8.613 ppm2=7.808

assign ( resid 81 and name H
	 )
       ( resid 80 and name HA
	 ) 2.6 0.8 0.8 volume=445558.875 peak=367 ppm1=8.611 ppm2=4.233

assign ( resid 81 and name H
	 )
       ( resid 80 and name HB#
	 ) 2.4 0.7 0.7 volume=256433.875 peak=368 ppm1=8.611 ppm2=1.420

assign ( resid 51 and name H
	 )
       ( resid 54 and name H
	 ) 4.8 2.9 2.9 volume=36621.250 peak=369 ppm1=8.339 ppm2=7.594

assign ( resid 51 and name H
	 )
       ( resid 49 and name HA
	 ) 4.3 2.3 2.3 volume=45051.250 peak=370 ppm1=8.342 ppm2=3.583

assign ( resid 74 and name H
	 )
       ( resid 73 and name HB#
	 ) 2.9 1.0 1.0 volume=276324.500 peak=371 ppm1=7.843 ppm2=1.355

assign ( resid 74 and name H
	 )
       ( resid 72 and name HA
	 ) 4.3 2.3 2.3 volume=44360.125 peak=372 ppm1=7.842 ppm2=3.680

assign ( resid 26 and name H
	 )
       ( resid 24 and name H
	 ) 4.2 2.2 2.2 volume=59409.000 peak=373 ppm1=7.815 ppm2=8.185

assign ( resid 26 and name H
	 )
       ( resid 28 and name H
	 ) 4.5 2.5 2.5 volume=44976.125 peak=375 ppm1=7.810 ppm2=8.842

assign ( resid 26 and name H
	 )
       ( resid 28 and name HG1#
	 ) 4.5 2.6 2.6 volume=76598.750 peak=376 ppm1=7.818 ppm2=0.912

assign ( resid 26 and name H
	 )
       ( resid 25 and name HG2
	 ) 4.4 2.5 2.5 volume=61843.625 peak=377 ppm1=7.810 ppm2=1.500

assign ( resid 26 and name H
	 )
       ( resid 25 and name HB2
	 ) 3.1 1.2 1.2 volume=139718.625 peak=378 ppm1=7.811 ppm2=1.872

assign ( resid 26 and name H
	 )
       ( resid 25 and name HA
	 ) 3.7 1.7 1.7 volume=90947.375 peak=381 ppm1=7.816 ppm2=3.889

assign ( resid 26 and name H
	 )
       ( resid 26 and name HA
	 ) 2.7 0.9 0.9 volume=444397.125 peak=382 ppm1=7.815 ppm2=4.163

assign ( resid 25 and name H
	 )
       ( resid 25 and name HA
	 ) 2.7 0.9 0.9 volume=377068.000 peak=384 ppm1=8.506 ppm2=3.883

assign ( resid 60 and name H
	 )
       ( resid 60 and name HA
	 ) 2.9 1.1 1.1 volume=198387.000 peak=385 ppm1=8.509 ppm2=3.466

assign ( resid 99 and name H
	 )
       ( resid 96 and name HA
	 ) 3.4 1.5 1.5 volume=96318.000 peak=386 ppm1=8.473 ppm2=4.286

assign ( resid 113 and name H
	 )
       ( resid 112 and name HG2#
	 ) 3.0 1.2 1.2 volume=332783.125 peak=387 ppm1=8.225 ppm2=0.891

assign ( resid 113 and name H
	 )
       ( resid 113 and name HA
	 ) 2.9 1.0 1.0 volume=266393.750 peak=388 ppm1=8.231 ppm2=4.348

assign ( resid 93 and name H
	 )
       ( resid 92 and name HB2
	 ) 2.9 1.0 1.0 volume=163566.125 peak=389 ppm1=8.203 ppm2=1.726

assign ( resid 92 and name H
	 )
       ( resid 93 and name H
	 ) 2.9 1.0 1.0 volume=151158.875 peak=390 ppm1=7.740 ppm2=8.203

assign ( resid 64 and name H
	 )
       ( resid 60 and name HG2#
	 ) 3.2 1.3 1.3 volume=121556.000 peak=391 ppm1=9.023 ppm2=0.979

assign ( resid 64 and name H
	 )
       ( resid 63 and name HB3
	 ) 2.9 1.1 1.1 volume=224690.250 peak=392 ppm1=9.022 ppm2=2.897

assign ( resid 64 and name H
	 )
       ( resid 62 and name HA
	 ) 4.4 2.4 2.4 volume=55703.500 peak=393 ppm1=9.017 ppm2=4.169

assign ( resid 64 and name H
	 )
       ( resid 63 and name HA
	 ) 3.7 1.7 1.7 volume=109003.000 peak=395 ppm1=9.023 ppm2=4.494

assign ( resid 28 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.4 1.4 1.4 volume=242179.750 peak=398 ppm1=8.828 ppm2=0.925

assign ( resid 28 and name H
	 )
       ( resid 27 and name HB3
	 ) 3.1 1.2 1.2 volume=102347.500 peak=399 ppm1=8.827 ppm2=2.138

assign ( resid 28 and name H
	 )
       ( resid 25 and name HA
	 ) 3.4 1.4 1.4 volume=93347.500 peak=400 ppm1=8.829 ppm2=3.888

assign ( resid 28 and name H
	 )
       ( resid 27 and name HA
	 ) 3.5 1.5 1.5 volume=132924.000 peak=401 ppm1=8.829 ppm2=4.107

assign ( resid 28 and name H
	 )
       ( resid 27 and name H
	 ) 2.8 1.0 1.0 volume=203546.125 peak=402 ppm1=8.817 ppm2=7.972

assign ( resid 38 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.5 1.5 1.5 volume=242699.375 peak=403 ppm1=8.724 ppm2=0.934

assign ( resid 38 and name H
	 )
       ( resid 37 and name HA
	 ) 2.2 0.6 0.6 volume=680427.375 peak=404 ppm1=8.725 ppm2=4.422

assign ( resid 38 and name H
	 )
       ( resid 37 and name H
	 ) 4.2 2.4 2.3 volume=82422.125 peak=405 ppm1=8.701 ppm2=7.441

assign ( resid 92 and name H
	 )
       ( resid 91 and name HG2#
	 ) 4.0 2.0 2.0 volume=141171.750 peak=408 ppm1=7.740 ppm2=1.280

assign ( resid 92 and name H
	 )
       ( resid 92 and name HD1#
	 or resid 92 and name HD2#
	 ) 4.0 2.0 2.0 volume=190518.625 peak=409 ppm1=7.741 ppm2=0.954

assign ( resid 42 and name H
	 )
       ( resid 42 and name HA
	 ) 2.8 1.0 1.0 volume=274989.750 peak=410 ppm1=7.863 ppm2=4.527

assign ( resid 42 and name H
	 )
       ( resid 41 and name HA
	 ) 2.8 1.0 1.0 volume=373804.750 peak=411 ppm1=7.863 ppm2=4.286

assign ( resid 42 and name H
	 )
       ( resid 40 and name HA
	 ) 3.0 1.1 1.1 volume=158121.125 peak=412 ppm1=7.864 ppm2=4.122

assign ( resid 42 and name H
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.4 2.4 2.4 volume=93588.750 peak=413 ppm1=7.863 ppm2=1.483

assign ( resid 42 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 3.2 1.3 1.3 volume=257710.500 peak=414 ppm1=7.863 ppm2=1.766

assign ( resid 42 and name H
	 )
       ( resid 42 and name HG3
	 ) 4.3 2.3 2.3 volume=233829.250 peak=415 ppm1=7.862 ppm2=2.525

assign ( resid 42 and name H
	 )
       ( resid 42 and name HB2
	 ) 3.0 1.1 1.1 volume=285697.750 peak=416 ppm1=7.861 ppm2=2.305

assign ( resid 73 and name H
	 )
       ( resid 72 and name HB3
	 ) 3.6 1.6 1.6 volume=191349.625 peak=417 ppm1=8.006 ppm2=1.565

assign ( resid 73 and name H
	 )
       ( resid 72 and name HA
	 ) 2.9 1.1 1.1 volume=196215.250 peak=418 ppm1=8.005 ppm2=3.684

assign ( resid 73 and name H
	 )
       ( resid 74 and name H
	 ) 2.7 0.9 0.9 volume=275167.250 peak=419 ppm1=8.004 ppm2=7.843

assign ( resid 44 and name H
	 )
       ( resid 45 and name H
	 ) 2.6 0.8 0.8 volume=315706.500 peak=421 ppm1=8.998 ppm2=7.751

assign ( resid 45 and name H
	 )
       ( resid 45 and name HA
	 ) 2.6 0.9 0.9 volume=403733.625 peak=422 ppm1=7.750 ppm2=4.271

assign ( resid 45 and name H
	 )
       ( resid 46 and name HA
	 ) 4.8 2.9 2.9 volume=85715.625 peak=423 ppm1=7.751 ppm2=3.959

assign ( resid 45 and name H
	 )
       ( resid 44 and name HA
	 ) 3.5 1.6 1.6 volume=160841.750 peak=424 ppm1=7.750 ppm2=4.523

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB3
	 ) 3.1 1.2 1.2 volume=154580.250 peak=425 ppm1=7.750 ppm2=3.006

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB2
	 ) 4.1 2.1 2.1 volume=122903.625 peak=426 ppm1=7.750 ppm2=2.805

assign ( resid 45 and name H
	 )
       ( resid 45 and name HD2
	 or resid 45 and name HD3
	 ) 4.5 2.6 2.6 volume=146916.000 peak=428 ppm1=7.750 ppm2=1.595

assign ( resid 45 and name H
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.4 2.4 2.4 volume=144681.250 peak=429 ppm1=7.749 ppm2=1.459

assign ( resid 66 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.5 1.5 1.5 volume=274444.250 peak=430 ppm1=8.165 ppm2=2.928

assign ( resid 66 and name H
	 )
       ( resid 65 and name HA
	 ) 3.2 1.3 1.3 volume=248838.125 peak=431 ppm1=8.165 ppm2=4.486

assign ( resid 66 and name H
	 )
       ( resid 65 and name H
	 ) 2.6 0.9 0.9 volume=346648.000 peak=432 ppm1=8.164 ppm2=7.994

assign ( resid 16 and name H
	 )
       ( resid 15 and name H
	 ) 3.0 1.2 1.2 volume=153766.625 peak=433 ppm1=8.037 ppm2=8.391

assign ( resid 16 and name H
	 )
       ( resid 13 and name HA
	 ) 3.5 1.5 1.5 volume=96850.125 peak=434 ppm1=8.037 ppm2=4.342

assign ( resid 16 and name H
	 )
       ( resid 15 and name HB2
	 ) 2.8 1.0 1.0 volume=264119.375 peak=435 ppm1=8.038 ppm2=2.158

assign ( resid 16 and name H
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 4.6 2.6 2.6 volume=107377.625 peak=436 ppm1=8.037 ppm2=1.736

assign ( resid 84 and name H
	 )
       ( resid 83 and name H
	 ) 2.7 0.9 0.9 volume=231512.750 peak=437 ppm1=8.090 ppm2=8.840

assign ( resid 84 and name H
	 )
       ( resid 83 and name HB3
	 ) 2.8 0.9 0.9 volume=376362.375 peak=438 ppm1=8.090 ppm2=2.886

assign ( resid 84 and name H
	 )
       ( resid 86 and name HB3
	 ) 3.9 1.9 1.9 volume=100017.875 peak=439 ppm1=8.090 ppm2=1.714

assign ( resid 112 and name H
	 )
       ( resid 111 and name HB2
	 ) 4.1 2.1 2.1 volume=138876.125 peak=440 ppm1=8.099 ppm2=2.735

assign ( resid 11 and name H
	 )
       ( resid 11 and name HG3
	 or resid 11 and name HG2
	 ) 3.4 1.4 1.4 volume=238772.000 peak=441 ppm1=8.468 ppm2=1.648

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB2
	 or resid 11 and name HB3
	 ) 2.6 0.9 0.9 volume=470983.750 peak=442 ppm1=8.467 ppm2=1.807

assign ( resid 11 and name H
	 )
       ( resid 10 and name HB2
	 ) 4.4 2.4 2.4 volume=161225.625 peak=443 ppm1=8.466 ppm2=2.072

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.2 0.6 3.8 volume=1146944.750 peak=444 ppm1=8.467 ppm2=4.322

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 4.0 2.0 2.0 volume=65059.500 peak=445 ppm1=8.315 ppm2=3.217

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 2.3 0.7 0.7 volume=1056108.375 peak=446 ppm1=8.316 ppm2=4.290

assign ( resid 60 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.8 1.0 1.0 volume=410403.250 peak=447 ppm1=8.508 ppm2=1.574

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB2
	 or resid 25 and name HB3
	 ) 2.3 0.7 0.7 volume=682517.375 peak=448 ppm1=8.504 ppm2=1.882

assign ( resid 25 and name H
	 )
       ( resid 25 and name HD3
	 or resid 25 and name HD2
	 ) 3.9 1.9 1.9 volume=416657.125 peak=449 ppm1=8.505 ppm2=2.142

assign ( resid 26 and name H
	 )
       ( resid 25 and name H
	 ) 2.8 1.0 1.0 volume=209136.375 peak=451 ppm1=7.811 ppm2=8.508

assign ( resid 53 and name H
	 )
       ( resid 52 and name HA
	 ) 3.1 1.2 1.2 volume=230917.125 peak=453 ppm1=8.426 ppm2=4.029

assign ( resid 52 and name H
	 )
       ( resid 53 and name H
	 ) 2.6 0.8 0.8 volume=212519.875 peak=455 ppm1=8.122 ppm2=8.390

assign ( resid 53 and name H
	 )
       ( resid 31 and name HD2#
	 ) 3.2 1.3 1.3 volume=272132.750 peak=458 ppm1=8.424 ppm2=0.848

assign ( resid 50 and name H
	 )
       ( resid 49 and name HG2#
	 ) 3.1 1.2 1.2 volume=351033.750 peak=459 ppm1=8.459 ppm2=0.916

assign ( resid 50 and name H
	 )
       ( resid 49 and name HB
	 ) 2.6 0.9 0.9 volume=249116.125 peak=460 ppm1=8.458 ppm2=2.120

assign ( resid 50 and name H
	 )
       ( resid 47 and name HA
	 ) 3.2 1.3 1.3 volume=158156.125 peak=461 ppm1=8.458 ppm2=4.169

assign ( resid 50 and name H
	 )
       ( resid 50 and name HD#
	 ) 5.2 3.7 3.4 volume=105261.375 peak=462 ppm1=8.452 ppm2=7.064

assign ( resid 57 and name H
	 )
       ( resid 56 and name HA
	 ) 3.4 1.4 1.4 volume=177204.375 peak=465 ppm1=8.297 ppm2=4.140

assign ( resid 57 and name H
	 )
       ( resid 54 and name HA
	 ) 3.4 1.4 1.4 volume=122014.625 peak=466 ppm1=8.299 ppm2=3.595

assign ( resid 57 and name H
	 )
       ( resid 57 and name HB2
	 or resid 57 and name HB3
	 ) 2.3 0.7 0.7 volume=576493.000 peak=467 ppm1=8.299 ppm2=1.978

assign ( resid 57 and name H
	 )
       ( resid 56 and name HB2
	 ) 3.2 1.3 1.3 volume=114183.375 peak=469 ppm1=8.298 ppm2=1.198

assign ( resid 64 and name H
	 )
       ( resid 63 and name H
	 ) 2.6 0.8 0.8 volume=199407.375 peak=470 ppm1=9.019 ppm2=8.171

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB3
	 ) 4.3 2.3 2.3 volume=162978.750 peak=471 ppm1=8.195 ppm2=2.662

assign ( resid 95 and name H
	 )
       ( resid 94 and name H
	 ) 2.7 0.9 0.9 volume=314136.500 peak=472 ppm1=8.197 ppm2=8.401

assign ( resid 96 and name H
	 )
       ( resid 95 and name H
	 ) 2.7 0.9 0.9 volume=209973.625 peak=473 ppm1=8.601 ppm2=8.185

assign ( resid 95 and name H
	 )
       ( resid 95 and name HG2
	 ) 4.5 2.5 2.5 volume=142316.500 peak=474 ppm1=8.201 ppm2=1.586

assign ( resid 63 and name H
	 )
       ( resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=149521.750 peak=475 ppm1=8.177 ppm2=0.866

assign ( resid 82 and name H
	 )
       ( resid 82 and name HD#
	 ) 5.1 3.2 3.2 volume=133845.125 peak=478 ppm1=7.806 ppm2=7.077

assign ( resid 82 and name H
	 )
       ( resid 81 and name HA
	 ) 3.2 1.3 1.3 volume=204711.125 peak=479 ppm1=7.806 ppm2=4.726

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB3
	 or resid 23 and name HB2
	 ) 2.4 0.7 0.7 volume=581303.625 peak=480 ppm1=7.737 ppm2=2.290

assign ( resid 22 and name H
	 )
       ( resid 23 and name H
	 ) 2.6 0.9 0.9 volume=265043.625 peak=481 ppm1=7.979 ppm2=7.736

assign ( resid 46 and name H
	 )
       ( resid 46 and name HA
	 ) 2.8 1.0 1.0 volume=272718.125 peak=485 ppm1=8.553 ppm2=3.956

assign ( resid 88 and name H
	 )
       ( resid 89 and name H
	 ) 2.7 0.9 0.9 volume=233564.000 peak=486 ppm1=8.255 ppm2=7.784

assign ( resid 49 and name H
	 )
       ( resid 48 and name H
	 ) 2.6 0.8 0.8 volume=290361.750 peak=490 ppm1=8.386 ppm2=7.808

assign ( resid 89 and name H
	 )
       ( resid 90 and name H
	 ) 2.6 0.8 0.8 volume=301661.625 peak=491 ppm1=7.790 ppm2=8.308

assign ( resid 48 and name H
	 )
       ( resid 48 and name HB2
	 or resid 48 and name HB3
	 ) 2.5 0.8 0.8 volume=533908.625 peak=492 ppm1=7.808 ppm2=3.418

assign ( resid 89 and name H
	 )
       ( resid 88 and name HG2
	 or resid 88 and name HG3
	 ) 4.0 2.0 2.0 volume=266162.375 peak=493 ppm1=7.791 ppm2=2.537

assign ( resid 109 and name H
	 )
       ( resid 108 and name HB2
	 or resid 108 and name HB3
	 ) 3.8 1.8 1.8 volume=172645.375 peak=496 ppm1=7.863 ppm2=3.896

assign ( resid 109 and name H
	 )
       ( resid 107 and name HG2#
	 ) 4.1 2.1 2.1 volume=88351.500 peak=497 ppm1=7.861 ppm2=0.973

assign ( resid 69 and name H
	 )
       ( resid 68 and name H
	 ) 2.6 0.8 0.8 volume=335693.500 peak=498 ppm1=7.415 ppm2=7.746

assign ( resid 68 and name H
	 )
       ( resid 67 and name H
	 ) 2.8 1.0 1.0 volume=230547.375 peak=499 ppm1=7.747 ppm2=8.217

assign ( resid 68 and name H
	 )
       ( resid 65 and name HA
	 ) 3.2 1.3 1.3 volume=152575.625 peak=500 ppm1=7.746 ppm2=4.452

assign ( resid 68 and name H
	 )
       ( resid 67 and name HA
	 ) 3.4 1.5 1.5 volume=153729.500 peak=501 ppm1=7.747 ppm2=3.859

assign ( resid 58 and name H
	 )
       ( resid 60 and name H
	 ) 4.2 2.2 2.2 volume=52249.125 peak=504 ppm1=7.730 ppm2=8.509

assign ( resid 58 and name H
	 )
       ( resid 56 and name H
	 ) 4.1 2.1 2.1 volume=53742.250 peak=505 ppm1=7.720 ppm2=8.696

assign ( resid 33 and name H
	 )
       ( resid 34 and name H
	 ) 2.7 0.9 0.9 volume=277762.625 peak=506 ppm1=8.052 ppm2=8.377

assign ( resid 34 and name H
	 )
       ( resid 34 and name HB2
	 ) 2.4 0.7 0.7 volume=661680.125 peak=508 ppm1=8.379 ppm2=2.265

assign ( resid 34 and name H
	 )
       ( resid 34 and name HG3
	 ) 3.2 1.3 1.3 volume=177520.750 peak=509 ppm1=8.377 ppm2=2.470

assign ( resid 114 and name H
	 )
       ( resid 113 and name HG2#
	 ) 4.1 2.2 2.2 volume=153446.000 peak=510 ppm1=8.389 ppm2=1.192

assign ( resid 79 and name H
	 )
       ( resid 79 and name HA
	 ) 2.7 0.9 0.9 volume=328205.375 peak=511 ppm1=8.250 ppm2=4.198

assign ( resid 115 and name H
	 )
       ( resid 115 and name HA
	 ) 2.7 0.9 0.9 volume=325824.125 peak=512 ppm1=8.256 ppm2=4.108

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG1#
	 ) 2.2 0.6 0.6 volume=696311.250 peak=513 ppm1=8.250 ppm2=1.035

assign ( resid 17 and name H
	 )
       ( resid 18 and name H
	 ) 2.9 1.1 1.1 volume=195672.625 peak=515 ppm1=7.925 ppm2=8.771

assign ( resid 24 and name H
	 )
       ( resid 25 and name H
	 ) 2.7 0.9 0.9 volume=201138.125 peak=516 ppm1=8.180 ppm2=8.512

assign ( resid 24 and name H
	 )
       ( resid 23 and name H
	 ) 2.7 0.9 0.9 volume=243757.000 peak=517 ppm1=8.173 ppm2=7.738

assign ( resid 62 and name H
	 )
       ( resid 61 and name HB2
	 ) 3.8 1.8 1.8 volume=302015.750 peak=518 ppm1=8.200 ppm2=2.849

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB2
	 ) 2.6 0.8 0.8 volume=597026.875 peak=520 ppm1=8.199 ppm2=2.281

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB3
	 ) 2.5 0.8 0.8 volume=464896.250 peak=521 ppm1=8.198 ppm2=2.134

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB2
	 ) 2.6 0.9 0.9 volume=367790.125 peak=522 ppm1=8.178 ppm2=1.935

assign ( resid 24 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=265664.750 peak=523 ppm1=8.178 ppm2=0.834

assign ( resid 24 and name H
	 )
       ( resid 24 and name HG
	 ) 2.5 0.8 0.8 volume=227078.500 peak=524 ppm1=8.178 ppm2=1.350

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 3.9 1.9 1.9 volume=202844.875 peak=525 ppm1=8.174 ppm2=1.587

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 4.3 2.3 2.3 volume=140739.375 peak=526 ppm1=8.174 ppm2=8.333

assign ( resid 67 and name H
	 )
       ( resid 67 and name HD1#
	 or resid 67 and name HD2#
	 ) 3.8 1.8 1.8 volume=207151.125 peak=529 ppm1=8.227 ppm2=0.759

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB3
	 ) 2.3 0.7 0.7 volume=757105.750 peak=530 ppm1=8.226 ppm2=1.598

assign ( resid 86 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.1 0.6 0.6 volume=626409.500 peak=531 ppm1=8.244 ppm2=1.700

assign ( resid 65 and name H
	 )
       ( resid 64 and name H
	 ) 2.7 0.9 0.9 volume=229391.500 peak=532 ppm1=7.996 ppm2=9.021

assign ( resid 65 and name H
	 )
       ( resid 63 and name H
	 ) 2.9 1.1 1.1 volume=454461.375 peak=533 ppm1=7.997 ppm2=8.169

assign ( resid 65 and name H
	 )
       ( resid 64 and name HB2
	 ) 2.7 0.9 0.9 volume=265686.875 peak=534 ppm1=7.992 ppm2=1.994

assign ( resid 65 and name H
	 )
       ( resid 66 and name HB#
	 ) 4.0 2.0 2.0 volume=142624.625 peak=535 ppm1=7.996 ppm2=1.560

assign ( resid 27 and name H
	 )
       ( resid 26 and name H
	 ) 2.6 0.9 0.9 volume=274295.625 peak=537 ppm1=7.972 ppm2=7.812

assign ( resid 27 and name H
	 )
       ( resid 27 and name HA
	 ) 2.5 0.8 0.8 volume=571521.750 peak=538 ppm1=7.973 ppm2=4.098

assign ( resid 19 and name H
	 )
       ( resid 18 and name H
	 ) 3.0 1.2 1.2 volume=144487.500 peak=540 ppm1=7.923 ppm2=8.771

assign ( resid 19 and name H
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 2.3 0.6 0.6 volume=793423.625 peak=542 ppm1=7.922 ppm2=1.984

assign ( resid 19 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.9 1.9 1.9 volume=102546.750 peak=543 ppm1=7.920 ppm2=1.467

assign ( resid 20 and name H
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 2.2 0.6 0.6 volume=902652.000 peak=544 ppm1=7.926 ppm2=1.991

assign ( resid 22 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.3 1.4 1.4 volume=112201.500 peak=545 ppm1=7.982 ppm2=3.277

assign ( resid 22 and name H
	 )
       ( resid 22 and name HA
	 ) 2.5 0.8 0.8 volume=588691.625 peak=546 ppm1=7.977 ppm2=4.066

assign ( resid 55 and name H
	 )
       ( resid 51 and name HA
	 ) 4.0 2.0 2.0 volume=90410.000 peak=549 ppm1=7.978 ppm2=3.872

assign ( resid 55 and name H
	 )
       ( resid 54 and name HA
	 ) 3.7 1.7 1.7 volume=81662.250 peak=550 ppm1=7.977 ppm2=3.592

assign ( resid 55 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 3.3 1.4 2.7 volume=565731.375 peak=551 ppm1=7.977 ppm2=2.170

assign ( resid 55 and name H
	 )
       ( resid 54 and name HB
	 ) 2.4 0.7 0.7 volume=425759.875 peak=552 ppm1=7.973 ppm2=1.957

assign ( resid 55 and name H
	 )
       ( resid 54 and name HG13
	 ) 4.9 3.1 3.1 volume=76509.875 peak=554 ppm1=7.977 ppm2=1.052

assign ( resid 55 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.0 1.1 1.1 volume=248222.750 peak=555 ppm1=7.977 ppm2=0.836

assign ( resid 54 and name H
	 )
       ( resid 55 and name H
	 ) 2.6 0.9 0.9 volume=287754.000 peak=556 ppm1=7.612 ppm2=7.979

assign ( resid 56 and name H
	 )
       ( resid 55 and name H
	 ) 2.8 1.0 1.0 volume=220277.375 peak=557 ppm1=8.694 ppm2=7.974

assign ( resid 87 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.7 0.9 0.9 volume=310625.625 peak=558 ppm1=8.045 ppm2=1.723

assign ( resid 87 and name H
	 )
       ( resid 86 and name HA
	 ) 3.7 1.7 1.7 volume=85261.250 peak=559 ppm1=8.046 ppm2=3.692

assign ( resid 87 and name H
	 )
       ( resid 88 and name H
	 ) 2.4 0.7 0.7 volume=487485.625 peak=560 ppm1=8.043 ppm2=8.252

assign ( resid 61 and name H
	 )
       ( resid 62 and name H
	 ) 2.6 0.9 0.9 volume=352790.750 peak=562 ppm1=8.377 ppm2=8.199

assign ( resid 61 and name H
	 )
       ( resid 58 and name HA
	 ) 3.1 1.2 1.2 volume=245321.375 peak=563 ppm1=8.377 ppm2=4.153

assign ( resid 49 and name H
	 )
       ( resid 46 and name HA
	 ) 3.2 1.3 1.3 volume=142083.750 peak=564 ppm1=8.385 ppm2=3.965

assign ( resid 49 and name H
	 )
       ( resid 48 and name HB3
	 ) 3.0 1.1 1.1 volume=214267.750 peak=565 ppm1=8.384 ppm2=3.444

assign ( resid 49 and name H
	 )
       ( resid 49 and name HA
	 ) 3.0 1.1 1.1 volume=182447.375 peak=566 ppm1=8.387 ppm2=3.566

assign ( resid 49 and name H
	 )
       ( resid 49 and name HB
	 ) 2.4 0.7 0.7 volume=407022.875 peak=567 ppm1=8.384 ppm2=2.108

assign ( resid 61 and name H
	 )
       ( resid 59 and name HB#
	 ) 4.1 2.1 2.1 volume=91118.125 peak=568 ppm1=8.379 ppm2=1.586

assign ( resid 61 and name H
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 4.2 2.2 2.2 volume=149972.750 peak=571 ppm1=8.387 ppm2=1.161

assign ( resid 49 and name H
	 )
       ( resid 48 and name HA
	 ) 4.0 2.0 2.0 volume=68247.625 peak=572 ppm1=8.387 ppm2=4.521

assign ( resid 32 and name H
	 )
       ( resid 32 and name HB3
	 ) 2.5 0.8 0.8 volume=440801.000 peak=573 ppm1=8.738 ppm2=1.933

assign ( resid 32 and name H
	 )
       ( resid 29 and name HA
	 ) 3.7 1.7 1.7 volume=97949.125 peak=574 ppm1=8.737 ppm2=4.332

assign ( resid 32 and name H
	 )
       ( resid 31 and name HA
	 ) 3.7 1.7 1.7 volume=95107.000 peak=575 ppm1=8.738 ppm2=4.220

assign ( resid 32 and name H
	 )
       ( resid 33 and name H
	 ) 2.7 0.9 0.9 volume=184161.375 peak=576 ppm1=8.737 ppm2=8.041

assign ( resid 29 and name H
	 )
       ( resid 31 and name H
	 ) 4.0 2.1 2.0 volume=90827.625 peak=578 ppm1=8.918 ppm2=7.959

assign ( resid 29 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.0 1.1 1.1 volume=269259.625 peak=580 ppm1=8.918 ppm2=0.930

assign ( resid 29 and name H
	 )
       ( resid 28 and name HG2#
	 ) 4.1 2.1 2.1 volume=116117.125 peak=581 ppm1=8.920 ppm2=1.116

assign ( resid 29 and name H
	 )
       ( resid 32 and name HB3
	 ) 4.7 2.8 2.8 volume=73468.250 peak=582 ppm1=8.921 ppm2=1.917

assign ( resid 29 and name H
	 )
       ( resid 28 and name HB
	 ) 2.5 0.8 0.8 volume=334295.750 peak=583 ppm1=8.919 ppm2=2.318

assign ( resid 29 and name H
	 )
       ( resid 28 and name HA
	 ) 3.8 1.8 1.8 volume=77982.375 peak=584 ppm1=8.918 ppm2=3.492

assign ( resid 29 and name H
	 )
       ( resid 29 and name HA
	 ) 2.9 1.0 1.0 volume=322283.500 peak=585 ppm1=8.919 ppm2=4.337

assign ( resid 29 and name H
	 )
       ( resid 26 and name HA
	 ) 3.3 1.4 1.4 volume=160773.250 peak=586 ppm1=8.921 ppm2=4.175

assign ( resid 29 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 5.0 3.1 3.1 volume=81289.625 peak=587 ppm1=8.922 ppm2=4.014

assign ( resid 29 and name H
	 )
       ( resid 25 and name HA
	 ) 4.0 2.0 2.0 volume=83750.500 peak=588 ppm1=8.919 ppm2=3.891

assign ( resid 76 and name H
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 3.3 1.3 1.3 volume=264319.250 peak=589 ppm1=8.648 ppm2=3.947

assign ( resid 100 and name H
	 )
       ( resid 98 and name HB3
	 ) 4.7 2.8 2.8 volume=103455.250 peak=590 ppm1=8.294 ppm2=2.270

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB#
	 ) 3.1 1.2 1.2 volume=293967.375 peak=591 ppm1=8.195 ppm2=1.383

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 2.6 0.8 0.8 volume=461771.750 peak=592 ppm1=8.266 ppm2=4.412

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 2.8 1.0 1.0 volume=241983.500 peak=593 ppm1=8.265 ppm2=4.285

assign ( resid 6 and name H
	 )
       ( resid 5 and name HB2
	 ) 4.4 2.4 2.4 volume=162058.250 peak=594 ppm1=8.265 ppm2=2.063

assign ( resid 94 and name H
	 )
       ( resid 93 and name HB2
	 ) 3.3 1.4 1.4 volume=119935.750 peak=596 ppm1=8.411 ppm2=1.284

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB3
	 ) 2.3 0.7 0.7 volume=543579.500 peak=597 ppm1=8.120 ppm2=1.898

assign ( resid 52 and name H
	 )
       ( resid 49 and name HA
	 ) 3.4 1.5 1.5 volume=105155.375 peak=599 ppm1=8.123 ppm2=3.572

assign ( resid 52 and name H
	 )
       ( resid 51 and name HA
	 ) 3.5 1.5 1.5 volume=142983.500 peak=600 ppm1=8.120 ppm2=3.864

assign ( resid 85 and name H
	 )
       ( resid 86 and name H
	 ) 2.4 0.7 0.7 volume=349773.250 peak=603 ppm1=8.102 ppm2=8.258

assign ( resid 85 and name H
	 )
       ( resid 86 and name HB3
	 ) 3.3 1.3 1.3 volume=509252.750 peak=606 ppm1=8.100 ppm2=1.705

assign ( resid 57 and name H
	 )
       ( resid 56 and name H
	 ) 2.6 0.9 0.9 volume=206825.375 peak=607 ppm1=8.299 ppm2=8.694

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 3.0 1.1 1.1 volume=313951.250 peak=609 ppm1=8.672 ppm2=4.481

assign ( resid 56 and name H
	 )
       ( resid 57 and name HA
	 ) 4.3 2.4 2.4 volume=99721.375 peak=610 ppm1=8.696 ppm2=3.879

assign ( resid 41 and name H
	 )
       ( resid 39 and name H
	 ) 4.5 2.5 2.5 volume=50145.625 peak=612 ppm1=7.522 ppm2=8.792

assign ( resid 69 and name H
	 )
       ( resid 68 and name HG2
	 ) 4.5 2.5 2.5 volume=52213.250 peak=613 ppm1=7.412 ppm2=2.570

assign ( resid 69 and name H
	 )
       ( resid 69 and name HE3
	 or resid 69 and name HE2
	 ) 7.1 6.3 6.3 volume=29998.375 peak=614 ppm1=7.415 ppm2=2.968

assign ( resid 64 and name H
	 )
       ( resid 60 and name HA
	 ) 4.4 2.5 2.5 volume=30033.000 peak=615 ppm1=9.018 ppm2=3.477

assign ( resid 14 and name H
	 )
       ( resid 15 and name H
	 ) 3.7 1.7 1.7 volume=36622.125 peak=616 ppm1=9.173 ppm2=8.376

assign ( resid 62 and name H
	 )
       ( resid 64 and name H
	 ) 4.3 2.3 2.3 volume=56051.125 peak=617 ppm1=8.192 ppm2=9.025

assign ( resid 101 and name H
	 )
       ( resid 97 and name HA
	 ) 3.9 1.9 1.9 volume=58689.875 peak=618 ppm1=8.563 ppm2=3.688

assign ( resid 103 and name H
	 )
       ( resid 100 and name H
	 ) 4.5 2.5 2.5 volume=42521.125 peak=619 ppm1=7.545 ppm2=8.280

assign ( resid 72 and name H
	 )
       ( resid 72 and name HB3
	 ) 3.2 1.3 1.3 volume=171992.750 peak=620 ppm1=8.653 ppm2=1.554

assign ( resid 28 and name H
	 )
       ( resid 24 and name HB2
	 ) 4.5 2.6 2.6 volume=57476.000 peak=621 ppm1=8.830 ppm2=1.915

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB2
	 ) 2.4 0.7 0.7 volume=456046.000 peak=622 ppm1=8.228 ppm2=1.898

assign ( resid 32 and name H
	 )
       ( resid 28 and name HA
	 ) 4.4 2.4 2.4 volume=44367.125 peak=623 ppm1=8.735 ppm2=3.497

assign ( resid 36 and name H
	 )
       ( resid 34 and name H
	 ) 4.4 2.5 2.5 volume=31026.625 peak=625 ppm1=7.341 ppm2=8.388

assign ( resid 35 and name H
	 )
       ( resid 34 and name HG2
	 ) 5.5 3.7 3.7 volume=60720.000 peak=626 ppm1=8.175 ppm2=2.473

assign ( resid 16 and name H
	 )
       ( resid 18 and name H
	 ) 4.3 2.3 2.3 volume=46888.125 peak=628 ppm1=8.044 ppm2=8.793

assign ( resid 98 and name H
	 )
       ( resid 97 and name HA
	 ) 3.8 1.8 1.8 volume=77771.250 peak=629 ppm1=7.923 ppm2=3.679

assign ( resid 18 and name H
	 )
       ( resid 18 and name HA
	 ) 2.9 1.0 1.0 volume=268323.625 peak=630 ppm1=8.768 ppm2=4.066

assign ( resid 21 and name H
	 )
       ( resid 23 and name HB3
	 ) 4.8 2.9 2.9 volume=50956.750 peak=631 ppm1=9.053 ppm2=2.292

assign ( resid 21 and name H
	 )
       ( resid 23 and name H
	 ) 4.5 2.6 2.6 volume=42160.500 peak=632 ppm1=9.051 ppm2=7.736

assign ( resid 21 and name H
	 )
       ( resid 18 and name H
	 ) 4.7 2.8 2.8 volume=34289.250 peak=633 ppm1=9.046 ppm2=8.753

assign ( resid 37 and name H
	 )
       ( resid 35 and name H
	 ) 4.9 2.9 2.9 volume=48777.500 peak=634 ppm1=7.435 ppm2=8.163

assign ( resid 64 and name H
	 )
       ( resid 62 and name HG3
	 ) 5.0 3.2 3.2 volume=56481.375 peak=635 ppm1=9.023 ppm2=2.259

assign ( resid 34 and name H
	 )
       ( resid 32 and name H
	 ) 4.3 2.4 2.4 volume=45494.250 peak=636 ppm1=8.373 ppm2=8.750

assign ( resid 81 and name H
	 )
       ( resid 79 and name HB
	 ) 4.5 2.5 2.5 volume=37812.625 peak=638 ppm1=8.612 ppm2=2.203

assign ( resid 73 and name H
	 )
       ( resid 72 and name HG2
	 ) 6.2 4.8 4.8 volume=44580.125 peak=639 ppm1=8.004 ppm2=1.103

assign ( resid 73 and name H
	 )
       ( resid 72 and name HG3
	 ) 5.4 3.6 3.6 volume=54197.750 peak=640 ppm1=8.004 ppm2=1.215

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HB2
	 ) 3.3 1.4 1.4 volume=110788.250 peak=642 ppm1=7.043 ppm2=2.809

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HB3
	 ) 3.2 1.3 1.3 volume=149371.250 peak=643 ppm1=7.043 ppm2=3.009

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HB2
	 ) 4.5 2.5 2.5 volume=160288.125 peak=644 ppm1=7.795 ppm2=2.808

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HB3
	 ) 4.2 2.2 2.2 volume=241686.500 peak=645 ppm1=7.796 ppm2=3.008

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HA
	 ) 5.3 3.5 3.5 volume=61700.250 peak=646 ppm1=7.796 ppm2=4.520

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name H
	 ) 4.9 3.1 3.1 volume=55259.000 peak=647 ppm1=7.043 ppm2=9.008

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name H
	 ) 4.7 2.8 2.8 volume=77640.125 peak=648 ppm1=7.797 ppm2=9.009

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HA
	 ) 5.4 3.7 3.7 volume=46416.625 peak=649 ppm1=7.043 ppm2=4.524

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HG2
	 ) 3.2 1.3 1.3 volume=142536.875 peak=650 ppm1=6.791 ppm2=2.690

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HG2
	 ) 3.9 1.9 1.9 volume=242811.250 peak=651 ppm1=7.255 ppm2=2.691

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HB3
	 ) 4.4 2.4 2.4 volume=146621.500 peak=653 ppm1=7.255 ppm2=2.134

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HB3
	 ) 3.1 1.2 1.2 volume=90159.250 peak=655 ppm1=6.793 ppm2=2.133

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HG3
	 ) 3.0 1.1 1.1 volume=118099.125 peak=656 ppm1=6.792 ppm2=2.430

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HB2
	 or resid 22 and name HB3
	 ) 5.2 3.4 3.4 volume=48539.375 peak=657 ppm1=6.912 ppm2=2.281

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HA
	 ) 4.8 2.9 2.9 volume=78965.375 peak=658 ppm1=6.912 ppm2=4.049

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HB2
	 or resid 22 and name HB3
	 ) 5.2 3.4 3.4 volume=61211.375 peak=659 ppm1=8.060 ppm2=2.275

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HG3
	 or resid 22 and name HG2
	 ) 2.6 0.9 0.9 volume=295769.750 peak=660 ppm1=6.911 ppm2=2.509

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HG3
	 or resid 22 and name HG2
	 ) 3.5 1.6 1.6 volume=433175.750 peak=661 ppm1=8.062 ppm2=2.508

assign ( resid 63 and name H
	 )
       ( resid 60 and name HA
	 ) 3.4 1.4 1.4 volume=99470.500 peak=664 ppm1=8.172 ppm2=3.462

assign ( resid 50 and name H
	 )
       ( resid 49 and name HA
	 ) 3.9 1.9 1.9 volume=68353.000 peak=665 ppm1=8.458 ppm2=3.576

assign ( resid 32 and name H
	 )
       ( resid 30 and name H
	 ) 4.5 2.6 2.6 volume=44304.500 peak=666 ppm1=8.736 ppm2=8.208

assign ( resid 36 and name H
	 )
       ( resid 33 and name HA
	 ) 3.6 1.6 1.6 volume=105226.750 peak=667 ppm1=7.348 ppm2=4.222

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HD21
	 ) 1.7 0.3 0.3 volume=606672.875 peak=668 ppm1=8.075 ppm2=6.048

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB2
	 ) 2.7 0.9 0.9 volume=203228.125 peak=670 ppm1=7.747 ppm2=1.878

assign ( resid 68 and name H
	 )
       ( resid 68 and name HB2
	 or resid 68 and name HB3
	 ) 2.4 0.7 0.7 volume=682738.375 peak=671 ppm1=7.747 ppm2=2.278

assign ( resid 94 and name H
	 )
       ( resid 93 and name H
	 ) 2.4 0.7 0.7 volume=122001.125 peak=672 ppm1=8.410 ppm2=8.198

assign ( resid 103 and name H
	 )
       ( resid 101 and name HB2
	 ) 4.9 3.0 3.0 volume=62682.375 peak=673 ppm1=7.543 ppm2=2.245

assign ( resid 81 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 4.0 2.0 2.0 volume=85364.875 peak=674 ppm1=8.611 ppm2=1.041

assign ( resid 31 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.4 1.4 1.4 volume=174348.500 peak=675 ppm1=7.943 ppm2=0.961

assign ( resid 93 and name H
	 )
       ( resid 93 and name HB2
	 ) 2.9 1.1 1.1 volume=165295.125 peak=676 ppm1=8.204 ppm2=1.281

assign ( resid 59 and name H
	 )
       ( resid 62 and name HB2
	 ) 3.8 1.8 1.8 volume=232299.500 peak=678 ppm1=7.634 ppm2=2.263

assign ( resid 119 and name H
	 )
       ( resid 119 and name HB
	 ) 3.2 1.3 1.3 volume=207191.500 peak=680 ppm1=7.774 ppm2=4.027

assign ( resid 119 and name H
	 )
       ( resid 119 and name HG1
	 ) 3.7 1.7 1.7 volume=157303.500 peak=681 ppm1=7.771 ppm2=1.151

assign ( resid 1 and name H#
	 )
       ( resid 1 and name HA3
	 or resid 1 and name HA2
	 ) 2.2 0.6 0.6 volume=421195.000 peak=682 ppm1=8.460 ppm2=3.966

assign ( resid 1 and name H#
	 )
       ( resid 2 and name HA
	 ) 3.2 1.3 1.3 volume=233577.000 peak=683 ppm1=8.460 ppm2=4.488

assign ( resid 11 and name H
	 )
       ( resid 10 and name HG2
	 ) 4.9 3.0 3.0 volume=94783.250 peak=684 ppm1=8.469 ppm2=2.362

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 2.9 1.0 1.0 volume=370304.000 peak=685 ppm1=8.268 ppm2=1.589

assign ( resid 69 and name H
	 )
       ( resid 67 and name HA
	 ) 4.0 2.0 2.0 volume=51700.875 peak=686 ppm1=7.415 ppm2=3.858

assign ( resid 69 and name H
	 )
       ( resid 65 and name HA
	 ) 4.0 2.0 2.0 volume=51828.125 peak=687 ppm1=7.417 ppm2=4.446

assign ( resid 44 and name H
	 )
       ( resid 43 and name HG2
	 ) 4.4 2.5 2.5 volume=156230.125 peak=688 ppm1=9.009 ppm2=2.220

assign ( resid 56 and name H
	 )
       ( resid 56 and name HB2
	 ) 2.9 1.1 1.1 volume=194783.750 peak=689 ppm1=8.694 ppm2=1.194

assign ( resid 3 and name H
	 )
       ( resid 3 and name HG3
	 ) 4.0 2.0 2.0 volume=87192.500 peak=690 ppm1=8.680 ppm2=2.596

assign ( resid 56 and name H
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.0 1.1 1.1 volume=400790.125 peak=691 ppm1=8.695 ppm2=0.839

assign ( resid 56 and name H
	 )
       ( resid 57 and name HB2
	 or resid 57 and name HB3
	 ) 3.4 1.4 1.4 volume=374640.375 peak=692 ppm1=8.694 ppm2=1.961

assign ( resid 56 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=83282.375 peak=693 ppm1=8.697 ppm2=1.583

assign ( resid 18 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.7 1.7 1.7 volume=148258.000 peak=694 ppm1=8.770 ppm2=1.459

assign ( resid 111 and name H
	 )
       ( resid 112 and name H
	 ) 2.9 1.1 1.1 volume=247390.000 peak=695 ppm1=8.362 ppm2=8.101

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 3.3 1.4 1.4 volume=140848.500 peak=696 ppm1=8.293 ppm2=4.410

assign ( resid 34 and name H
	 )
       ( resid 32 and name HG
	 ) 5.1 3.2 3.2 volume=58462.000 peak=697 ppm1=8.376 ppm2=1.545

assign ( resid 39 and name H
	 )
       ( resid 39 and name HG3
	 ) 4.3 2.3 2.3 volume=146995.875 peak=698 ppm1=8.799 ppm2=2.296

assign ( resid 52 and name H
	 )
       ( resid 31 and name HD2#
	 ) 4.0 2.0 2.0 volume=134813.375 peak=699 ppm1=8.120 ppm2=0.850

assign ( resid 94 and name H
	 )
       ( resid 93 and name HD1#
	 ) 4.7 2.8 2.8 volume=72698.625 peak=700 ppm1=8.408 ppm2=0.829

assign ( resid 113 and name H
	 )
       ( resid 112 and name HG12
	 ) 5.1 3.3 3.3 volume=72498.875 peak=701 ppm1=8.226 ppm2=1.446

assign ( resid 26 and name H
	 )
       ( resid 24 and name HD1#
	 ) 4.9 3.0 3.0 volume=52884.625 peak=702 ppm1=7.813 ppm2=0.827

assign ( resid 20 and name H
	 )
       ( resid 20 and name HA
	 ) 2.7 0.9 0.9 volume=381371.250 peak=703 ppm1=7.927 ppm2=4.131

assign ( resid 25 and name H
	 )
       ( resid 22 and name HA
	 ) 2.9 1.0 1.0 volume=337796.500 peak=704 ppm1=8.505 ppm2=4.055

assign ( resid 104 and name H
	 )
       ( resid 105 and name HA
	 ) 4.2 2.2 2.2 volume=130458.375 peak=705 ppm1=8.530 ppm2=3.892

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HE21
	 ) 1.4 0.3 0.3 volume=3441689.500 peak=707 ppm1=7.255 ppm2=6.791

assign ( resid 89 and name H
	 )
       ( resid 88 and name HB2
	 ) 2.9 1.0 1.0 volume=173933.625 peak=709 ppm1=7.788 ppm2=2.338

assign ( resid 92 and name H
	 )
       ( resid 91 and name HA
	 ) 3.6 1.6 1.6 volume=112748.375 peak=710 ppm1=7.739 ppm2=3.949

assign ( resid 92 and name H
	 )
       ( resid 91 and name HB
	 ) 2.8 1.0 1.0 volume=222448.250 peak=711 ppm1=7.738 ppm2=4.283

assign ( resid 76 and name H
	 )
       ( resid 75 and name H
	 ) 4.6 2.6 2.6 volume=44999.250 peak=713 ppm1=8.649 ppm2=7.857

assign ( resid 107 and name H
	 )
       ( resid 107 and name HD1#
	 ) 3.3 1.3 1.3 volume=448917.250 peak=714 ppm1=8.234 ppm2=0.949

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HD21
	 ) 1.5 0.3 0.3 volume=4310105.500 peak=715 ppm1=7.043 ppm2=7.798

assign ( resid 44 and name HD21
	 )
       ( resid 43 and name HB3
	 ) 5.0 3.1 3.1 volume=36619.125 peak=717 ppm1=7.797 ppm2=2.387

assign ( resid 63 and name HD21
	 )
       ( resid 63 and name HB3
	 or resid 63 and name HB2
	 ) 3.8 1.8 1.8 volume=164113.500 peak=718 ppm1=6.043 ppm2=2.882

assign ( resid 63 and name HD21
	 )
       ( resid 20 and name HB2
	 ) 3.6 1.6 1.6 volume=169748.375 peak=719 ppm1=6.042 ppm2=2.002

assign ( resid 63 and name HD21
	 )
       ( resid 63 and name HA
	 ) 4.3 2.3 2.3 volume=89752.750 peak=720 ppm1=6.040 ppm2=4.469

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HA
	 ) 4.2 2.2 2.2 volume=75893.500 peak=721 ppm1=8.069 ppm2=4.480

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HB3
	 or resid 63 and name HB2
	 ) 2.7 0.9 0.9 volume=159113.875 peak=722 ppm1=8.075 ppm2=2.891

assign ( resid 63 and name HD22
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 4.2 2.2 2.2 volume=111092.625 peak=723 ppm1=8.072 ppm2=1.994

assign ( resid 111 and name H
	 )
       ( resid 111 and name HB2
	 ) 2.6 0.9 0.9 volume=386375.625 peak=724 ppm1=8.362 ppm2=2.733

assign ( resid 111 and name H
	 )
       ( resid 111 and name HB3
	 ) 3.3 1.4 1.4 volume=270324.875 peak=725 ppm1=8.367 ppm2=2.848

assign ( resid 42 and name H
	 )
       ( resid 41 and name HG
	 ) 3.6 1.7 1.7 volume=147732.500 peak=726 ppm1=7.864 ppm2=1.599

assign ( resid 42 and name H
	 )
       ( resid 41 and name HD1#
	 ) 4.3 2.3 2.3 volume=90744.125 peak=727 ppm1=7.861 ppm2=0.869

assign ( resid 89 and name H
	 )
       ( resid 86 and name HA
	 ) 3.8 1.8 1.8 volume=74069.125 peak=728 ppm1=7.787 ppm2=3.686

assign ( resid 96 and name H
	 )
       ( resid 93 and name HA
	 ) 3.6 1.6 1.6 volume=78119.250 peak=729 ppm1=8.602 ppm2=3.959

assign ( resid 106 and name H
	 )
       ( resid 103 and name HA
	 ) 3.1 1.2 1.2 volume=187182.375 peak=731 ppm1=7.907 ppm2=4.341

assign ( resid 27 and name HE22
	 )
       ( resid 24 and name HD1#
	 ) 2.8 1.0 1.0 volume=157215.750 peak=732 ppm1=7.254 ppm2=0.832

assign ( resid 27 and name HE21
	 )
       ( resid 24 and name HD1#
	 ) 3.3 1.4 1.4 volume=164528.000 peak=733 ppm1=6.791 ppm2=0.829

assign ( resid 115 and name H
	 )
       ( resid 115 and name HG1#
	 ) 2.1 0.6 0.6 volume=645467.375 peak=734 ppm1=8.255 ppm2=0.963

assign ( resid 42 and name H
	 )
       ( resid 43 and name HD3
	 ) 4.9 3.0 3.0 volume=100781.750 peak=735 ppm1=7.861 ppm2=3.950

assign ( resid 27 and name H
	 )
       ( resid 27 and name HG2
	 ) 3.9 1.9 1.9 volume=266629.875 peak=736 ppm1=7.972 ppm2=2.685

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HA
	 ) 5.4 4.2 3.6 volume=167916.750 peak=737 ppm1=7.249 ppm2=4.112

assign ( resid 93 and name H
	 )
       ( resid 93 and name HG
	 ) 2.2 0.6 0.6 volume=503596.750 peak=738 ppm1=8.206 ppm2=1.932

assign ( resid 86 and name H
	 )
       ( resid 14 and name HD1#
	 ) 3.3 1.3 1.3 volume=88481.500 peak=739 ppm1=8.246 ppm2=0.634

assign ( resid 86 and name H
	 )
       ( resid 14 and name HD2#
	 ) 3.7 1.7 1.7 volume=127493.875 peak=740 ppm1=8.246 ppm2=0.701

assign ( resid 57 and name H
	 )
       ( resid 58 and name HG3
	 ) 4.8 2.9 2.9 volume=59348.500 peak=741 ppm1=8.297 ppm2=2.578

assign ( resid 21 and name HD22
	 )
       ( resid 93 and name HD1#
	 ) 3.1 1.2 1.2 volume=99317.875 peak=742 ppm1=9.777 ppm2=0.836

assign ( resid 21 and name HD22
	 )
       ( resid 92 and name HD1#
	 ) 3.8 1.8 1.8 volume=76467.125 peak=743 ppm1=9.774 ppm2=0.930

assign ( resid 21 and name HD22
	 )
       ( resid 17 and name HG
	 ) 3.1 1.2 1.2 volume=79921.750 peak=744 ppm1=9.776 ppm2=1.717

assign ( resid 21 and name HD22
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB3
	 ) 4.6 2.7 2.7 volume=60552.250 peak=745 ppm1=9.778 ppm2=3.274

assign ( resid 83 and name HD21
	 )
       ( resid 83 and name HA
	 ) 5.0 3.1 3.1 volume=52919.000 peak=746 ppm1=7.768 ppm2=4.319

assign ( resid 83 and name HD22
	 )
       ( resid 83 and name HA
	 ) 5.0 3.2 3.2 volume=51923.750 peak=747 ppm1=7.098 ppm2=4.322

assign ( resid 83 and name HD21
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HB3
	 ) 2.4 0.7 0.7 volume=468824.125 peak=748 ppm1=7.768 ppm2=2.875

assign ( resid 83 and name HD22
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HB3
	 ) 3.6 1.6 1.6 volume=347971.750 peak=749 ppm1=7.098 ppm2=2.876

assign ( resid 51 and name HE22
	 )
       ( resid 54 and name HD1#
	 ) 4.8 2.9 2.9 volume=33100.500 peak=750 ppm1=7.559 ppm2=0.587

assign ( resid 51 and name HE21
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 5.8 4.3 4.3 volume=43722.500 peak=751 ppm1=6.965 ppm2=2.193

assign ( resid 51 and name HE21
	 )
       ( resid 51 and name HG2
	 ) 4.3 2.3 2.3 volume=178438.125 peak=752 ppm1=6.971 ppm2=2.507

assign ( resid 51 and name HE22
	 )
       ( resid 51 and name HG2
	 ) 2.7 0.9 0.9 volume=492392.375 peak=754 ppm1=7.556 ppm2=2.563

assign ( resid 101 and name HE21
	 )
       ( resid 105 and name HG2#
	 ) 3.8 1.8 1.8 volume=87249.750 peak=755 ppm1=6.858 ppm2=0.984

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HB2
	 ) 5.4 3.7 3.7 volume=70440.375 peak=756 ppm1=7.434 ppm2=2.252

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 3.8 1.8 1.8 volume=345443.875 peak=757 ppm1=7.434 ppm2=2.464

assign ( resid 101 and name HE21
	 )
       ( resid 101 and name HB2
	 ) 5.0 3.1 3.1 volume=81204.250 peak=758 ppm1=6.852 ppm2=2.252

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HA
	 ) 4.8 2.9 2.9 volume=55334.250 peak=759 ppm1=7.430 ppm2=4.118

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HB3
	 ) 6.1 4.7 4.7 volume=35979.750 peak=760 ppm1=7.436 ppm2=2.100

assign ( resid 101 and name HE22
	 )
       ( resid 105 and name HG1#
	 ) 3.2 1.3 1.3 volume=165003.625 peak=761 ppm1=7.434 ppm2=1.133

assign ( resid 101 and name HE21
	 )
       ( resid 105 and name HG1#
	 ) 3.1 1.2 1.2 volume=99927.500 peak=762 ppm1=6.863 ppm2=1.151

assign ( resid 21 and name H
	 )
       ( resid 17 and name HD1#
	 ) 3.3 1.4 1.4 volume=130974.625 peak=763 ppm1=9.047 ppm2=0.903

assign ( resid 63 and name HD21
	 )
       ( resid 24 and name HD2#
	 ) 2.4 0.7 0.7 volume=278745.500 peak=764 ppm1=6.042 ppm2=0.869

assign ( resid 63 and name HD22
	 )
       ( resid 24 and name HD2#
	 ) 2.5 0.8 0.8 volume=268623.500 peak=765 ppm1=8.076 ppm2=0.863

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HG3
	 or resid 52 and name HG2
	 ) 3.2 1.3 1.3 volume=107393.875 peak=767 ppm1=7.178 ppm2=1.611

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HD3
	 ) 3.5 1.6 1.6 volume=63985.875 peak=769 ppm1=7.177 ppm2=3.268

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HA
	 ) 5.7 4.0 4.0 volume=53179.000 peak=770 ppm1=7.178 ppm2=4.037

assign ( resid 20 and name HE
	 )
       ( resid 24 and name HD2#
	 ) 5.0 3.1 3.1 volume=41301.750 peak=772 ppm1=7.320 ppm2=0.849

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 4.1 2.1 2.1 volume=78202.625 peak=774 ppm1=7.316 ppm2=1.993

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HD3
	 ) 3.1 1.2 1.2 volume=127286.125 peak=775 ppm1=7.315 ppm2=3.180

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HD2
	 ) 3.5 1.6 1.6 volume=73342.875 peak=776 ppm1=7.314 ppm2=3.355

assign ( resid 100 and name H
	 )
       ( resid 100 and name HG
	 ) 2.6 0.8 0.8 volume=227560.625 peak=777 ppm1=8.292 ppm2=1.526

assign ( resid 50 and name HD#
	 )
       ( resid 47 and name HA
	 ) 4.2 2.3 2.3 volume=92257.000 peak=783 ppm1=7.075 ppm2=4.185

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 4.1 2.1 2.1 volume=61707.500 peak=788 ppm1=7.080 ppm2=1.041

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HG3
	 ) 4.9 3.0 3.0 volume=12245.500 peak=791 ppm1=7.076 ppm2=1.162

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HD3
	 or resid 86 and name HD2
	 ) 4.4 2.4 2.4 volume=17946.500 peak=792 ppm1=7.077 ppm2=1.334

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HB
	 ) 5.0 3.2 3.1 volume=32193.000 peak=793 ppm1=7.080 ppm2=2.207

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HB2
	 ) 4.9 3.1 3.0 volume=18733.000 peak=800 ppm1=6.840 ppm2=3.136

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HB3
	 ) 4.9 3.1 3.0 volume=16308.500 peak=801 ppm1=6.842 ppm2=3.256

assign ( resid 50 and name HE#
	 )
       ( resid 51 and name HA
	 ) 4.8 3.0 2.9 volume=22253.500 peak=803 ppm1=6.840 ppm2=3.851

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HD1#
	 ) 3.0 1.1 1.1 volume=46172.500 peak=807 ppm1=3.857 ppm2=0.578

assign ( resid 90 and name HE1
	 )
       ( resid 64 and name HA
	 ) 4.9 3.2 3.0 volume=15206.500 peak=811 ppm1=8.094 ppm2=3.853

assign ( resid 49 and name HA
	 )
       ( resid 48 and name HD2
	 ) 4.2 2.2 2.2 volume=13966.000 peak=814 ppm1=3.554 ppm2=7.200

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HD#
	 ) 3.6 1.7 1.7 volume=36713.000 peak=820 ppm1=0.634 ppm2=7.079

assign ( resid 48 and name HE1
	 )
       ( resid 48 and name HA
	 ) 6.0 4.5 4.5 volume=10880.500 peak=821 ppm1=8.191 ppm2=4.515

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HG3
	 ) 4.2 2.2 2.2 volume=15152.500 peak=823 ppm1=8.135 ppm2=2.623

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HA
	 ) 3.5 1.5 1.5 volume=44351.500 peak=825 ppm1=0.578 ppm2=3.597

assign ( resid 106 and name HG2#
	 )
       ( resid 106 and name HB
	 ) 1.9 0.4 0.4 volume=54550.000 peak=826 ppm1=1.298 ppm2=4.413

assign ( resid 106 and name HG2#
	 )
       ( resid 106 and name HA
	 ) 2.3 0.7 0.7 volume=219023.500 peak=827 ppm1=1.302 ppm2=4.063

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HB2
	 ) 3.0 1.1 1.1 volume=50854.500 peak=835 ppm1=3.950 ppm2=2.786

assign ( resid 111 and name HB2
	 )
       ( resid 111 and name HA
	 ) 3.2 1.2 1.2 volume=45395.500 peak=837 ppm1=2.738 ppm2=4.702

assign ( resid 12 and name HA
	 )
       ( resid 13 and name HA
	 ) 4.9 3.3 3.1 volume=7434.500 peak=844 ppm1=5.044 ppm2=4.355

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 2.0 0.5 0.5 volume=198944.500 peak=847 ppm1=4.206 ppm2=1.040

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 1.8 0.4 0.4 volume=176769.000 peak=848 ppm1=2.213 ppm2=1.040

assign ( resid 92 and name HD1#
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB3
	 ) 2.9 1.1 1.1 volume=41426.500 peak=856 ppm1=0.953 ppm2=3.264

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HG
	 ) 5.1 3.3 3.2 volume=7367.500 peak=857 ppm1=6.788 ppm2=1.435

assign ( resid 117 and name HA
	 )
       ( resid 117 and name HB#
	 ) 2.3 0.7 0.7 volume=87961424.000 peak=859 ppm1=4.610 ppm2=1.370

assign ( resid 78 and name HG2
	 or resid 78 and name HG3
	 )
       ( resid 78 and name HD3
	 ) 2.6 0.8 0.8 volume=124467736.000 peak=861 ppm1=2.035 ppm2=3.809

assign ( resid 78 and name HG2
	 )
       ( resid 78 and name HD2
	 ) 2.5 0.8 0.8 volume=166034400.000 peak=862 ppm1=2.039 ppm2=3.659

assign ( resid 115 and name HA
	 )
       ( resid 115 and name HB
	 ) 2.4 0.7 0.7 volume=201286528.000 peak=865 ppm1=4.096 ppm2=2.089

assign ( resid 115 and name HG2#
	 )
       ( resid 115 and name HA
	 ) 2.1 0.6 0.6 volume=348201952.000 peak=866 ppm1=0.946 ppm2=4.093

assign ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 )
       ( resid 115 and name HB
	 ) 1.9 0.4 0.4 volume=338529888.000 peak=867 ppm1=0.944 ppm2=2.088

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HB
	 ) 2.0 0.5 0.5 volume=102551528.000 peak=869 ppm1=0.938 ppm2=2.330

assign ( resid 114 and name HG2
	 or resid 114 and name HG3
	 )
       ( resid 114 and name HA
	 ) 2.7 0.9 0.9 volume=213687440.000 peak=870 ppm1=2.252 ppm2=4.349

assign ( resid 114 and name HB3
	 )
       ( resid 114 and name HB2
	 ) 1.4 0.3 0.3 volume=1217801600.000 peak=872 ppm1=1.957 ppm2=2.061

assign ( resid 114 and name HG3
	 )
       ( resid 114 and name HB3
	 ) 2.5 0.8 0.8 volume=172182848.000 peak=873 ppm1=2.243 ppm2=1.955

assign ( resid 114 and name HG3
	 )
       ( resid 114 and name HB2
	 ) 2.6 0.9 0.9 volume=221584160.000 peak=874 ppm1=2.246 ppm2=2.060

assign ( resid 113 and name HB
	 )
       ( resid 113 and name HA
	 ) 2.2 0.6 0.6 volume=531075904.000 peak=875 ppm1=4.190 ppm2=4.336

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HG2#
	 ) 2.0 0.5 0.5 volume=378870848.000 peak=878 ppm1=4.241 ppm2=0.896

assign ( resid 112 and name HG13
	 )
       ( resid 112 and name HA
	 ) 2.8 1.0 1.0 volume=128685680.000 peak=879 ppm1=1.171 ppm2=4.241

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HB
	 ) 2.5 0.8 0.8 volume=277325984.000 peak=880 ppm1=4.244 ppm2=1.914

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HB
	 ) 1.8 0.4 0.4 volume=332907424.000 peak=881 ppm1=0.887 ppm2=1.914

assign ( resid 112 and name HG13
	 )
       ( resid 112 and name HB
	 ) 2.5 0.8 0.8 volume=82460280.000 peak=882 ppm1=1.174 ppm2=1.914

assign ( resid 112 and name HG12
	 )
       ( resid 112 and name HB
	 ) 2.8 1.0 1.0 volume=109433128.000 peak=883 ppm1=1.446 ppm2=1.914

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HG12
	 ) 2.1 0.6 0.6 volume=156426608.000 peak=885 ppm1=0.867 ppm2=1.443

assign ( resid 112 and name HG12
	 )
       ( resid 112 and name HG13
	 ) 1.4 0.2 0.5 volume=811909888.000 peak=886 ppm1=1.436 ppm2=1.152

assign ( resid 61 and name HA
	 )
       ( resid 61 and name HB2
	 ) 3.3 1.4 1.4 volume=32300254.000 peak=887 ppm1=4.351 ppm2=2.847

assign ( resid 58 and name HA
	 )
       ( resid 61 and name HB2
	 ) 3.7 1.8 1.8 volume=32586528.000 peak=888 ppm1=4.149 ppm2=2.847

assign ( resid 64 and name HD3
	 or resid 64 and name HD2
	 )
       ( resid 61 and name HB3
	 ) 5.7 4.1 4.1 volume=8967155.000 peak=889 ppm1=1.723 ppm2=2.646

assign ( resid 80 and name HB#
	 )
       ( resid 79 and name HB
	 ) 4.8 2.9 2.9 volume=11017779.000 peak=891 ppm1=1.417 ppm2=2.218

assign ( resid 41 and name HB2
	 or resid 41 and name HB3
	 )
       ( resid 40 and name HA
	 ) 4.1 2.1 2.1 volume=47836120.000 peak=894 ppm1=1.752 ppm2=4.127

assign ( resid 40 and name HB#
	 )
       ( resid 40 and name HA
	 ) 1.8 0.4 0.4 volume=346696704.000 peak=895 ppm1=1.485 ppm2=4.126

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HG3
	 ) 3.3 1.3 1.3 volume=56671388.000 peak=897 ppm1=3.863 ppm2=2.639

assign ( resid 14 and name HD1#
	 )
       ( resid 14 and name HB2
	 ) 2.6 0.8 0.8 volume=81073048.000 peak=898 ppm1=0.659 ppm2=1.596

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HD1#
	 ) 4.0 2.0 2.0 volume=39208772.000 peak=900 ppm1=4.165 ppm2=0.637

assign ( resid 14 and name HG
	 )
       ( resid 14 and name HD2#
	 ) 2.1 0.5 0.5 volume=87451584.000 peak=901 ppm1=1.444 ppm2=0.704

assign ( resid 31 and name HA
	 )
       ( resid 32 and name HB2
	 ) 4.7 2.8 2.8 volume=39527532.000 peak=902 ppm1=4.213 ppm2=2.027

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HB3
	 ) 2.4 0.7 0.7 volume=43126916.000 peak=903 ppm1=1.595 ppm2=2.023

assign ( resid 14 and name HD1#
	 )
       ( resid 14 and name HB3
	 ) 2.5 0.8 0.8 volume=24922500.000 peak=904 ppm1=0.658 ppm2=2.020

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HE#
	 ) 3.3 1.3 1.3 volume=119905728.000 peak=908 ppm1=7.077 ppm2=6.799

assign ( resid 82 and name HE#
	 )
       ( resid 83 and name HA
	 ) 4.0 2.1 2.0 volume=10534405.000 peak=909 ppm1=6.793 ppm2=4.332

assign ( resid 82 and name HE#
	 )
       ( resid 82 and name HB2
	 ) 5.0 3.6 3.2 volume=9470443.000 peak=910 ppm1=6.792 ppm2=3.268

assign ( resid 82 and name HE#
	 )
       ( resid 82 and name HB3
	 ) 4.5 3.1 2.6 volume=24449538.000 peak=911 ppm1=6.787 ppm2=2.962

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HE#
	 ) 3.6 1.6 1.6 volume=39609312.000 peak=912 ppm1=0.643 ppm2=6.793

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HA
	 ) 2.7 0.9 0.9 volume=16160379.000 peak=913 ppm1=3.142 ppm2=4.022

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HB3
	 ) 2.7 0.9 0.9 volume=23714888.000 peak=916 ppm1=3.136 ppm2=3.260

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 50 and name HB2
	 ) 6.6 5.5 5.5 volume=4347423.500 peak=918 ppm1=2.505 ppm2=3.118

assign ( resid 47 and name HA
	 )
       ( resid 50 and name HB2
	 ) 4.2 2.2 2.2 volume=12937556.000 peak=919 ppm1=4.187 ppm2=3.137

assign ( resid 47 and name HA
	 )
       ( resid 50 and name HB3
	 ) 3.8 1.8 1.8 volume=15298353.000 peak=920 ppm1=4.185 ppm2=3.265

assign ( resid 100 and name HD2#
	 )
       ( resid 100 and name HG
	 ) 2.0 0.5 0.5 volume=135511808.000 peak=921 ppm1=0.859 ppm2=1.533

assign ( resid 53 and name HB2
	 )
       ( resid 53 and name HB3
	 ) 2.2 0.6 0.6 volume=85542568.000 peak=922 ppm1=2.947 ppm2=3.150

assign ( resid 53 and name HB2
	 )
       ( resid 53 and name HA
	 ) 3.4 1.5 1.5 volume=26072298.000 peak=924 ppm1=2.947 ppm2=3.909

assign ( resid 53 and name HB3
	 )
       ( resid 104 and name HB#
	 ) 3.7 1.7 1.7 volume=14392732.000 peak=927 ppm1=3.153 ppm2=1.561

assign ( resid 53 and name HB2
	 )
       ( resid 31 and name HD1#
	 ) 4.6 2.7 2.6 volume=12256788.000 peak=928 ppm1=2.951 ppm2=1.015

assign ( resid 56 and name HD2#
	 )
       ( resid 53 and name HB2
	 ) 5.0 3.1 3.1 volume=18874986.000 peak=929 ppm1=0.853 ppm2=2.948

assign ( resid 31 and name HD2#
	 )
       ( resid 53 and name HB3
	 ) 3.5 1.6 1.6 volume=20313046.000 peak=931 ppm1=0.847 ppm2=3.150

assign ( resid 53 and name HB3
	 )
       ( resid 53 and name HA
	 ) 2.9 1.0 1.0 volume=63131860.000 peak=932 ppm1=3.148 ppm2=3.909

assign ( resid 104 and name HB#
	 )
       ( resid 53 and name HA
	 ) 4.3 2.3 2.3 volume=25759052.000 peak=934 ppm1=1.565 ppm2=3.914

assign ( resid 53 and name HB3
	 )
       ( resid 56 and name HD1#
	 ) 4.0 2.0 2.0 volume=26003782.000 peak=936 ppm1=3.153 ppm2=0.855

assign ( resid 51 and name HG2
	 )
       ( resid 51 and name HA
	 ) 4.0 2.0 2.0 volume=37269800.000 peak=937 ppm1=2.627 ppm2=3.863

assign ( resid 54 and name HB
	 )
       ( resid 53 and name HA
	 ) 4.4 2.4 2.4 volume=36767196.000 peak=938 ppm1=1.951 ppm2=3.910

assign ( resid 48 and name HB2
	 or resid 48 and name HB3
	 )
       ( resid 48 and name HA
	 ) 2.8 1.0 1.0 volume=110354784.000 peak=939 ppm1=3.404 ppm2=4.521

assign ( resid 51 and name HG2
	 )
       ( resid 48 and name HA
	 ) 5.2 3.4 3.4 volume=12138051.000 peak=940 ppm1=2.531 ppm2=4.522

assign ( resid 90 and name HB3
	 )
       ( resid 90 and name HA
	 ) 2.9 1.1 1.1 volume=79253096.000 peak=944 ppm1=3.300 ppm2=4.001

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HA
	 ) 4.9 2.9 2.9 volume=9696862.000 peak=946 ppm1=8.141 ppm2=4.168

assign ( resid 90 and name HE1
	 )
       ( resid 67 and name HD2#
	 ) 5.0 3.1 3.1 volume=8807734.000 peak=947 ppm1=8.093 ppm2=0.706

assign ( resid 67 and name HB2
	 )
       ( resid 90 and name HE1
	 ) 4.8 2.9 2.9 volume=7379435.000 peak=948 ppm1=1.877 ppm2=8.137

assign ( resid 68 and name HB2
	 )
       ( resid 90 and name HE1
	 ) 5.9 4.3 4.3 volume=8147457.500 peak=949 ppm1=2.277 ppm2=8.136

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HG13
	 ) 3.0 1.1 1.1 volume=101798432.000 peak=950 ppm1=0.869 ppm2=1.169

assign ( resid 48 and name HB2
	 )
       ( resid 48 and name HD2
	 ) 4.1 2.3 2.1 volume=34893640.000 peak=952 ppm1=3.434 ppm2=7.197

assign ( resid 52 and name HG3
	 )
       ( resid 48 and name HE1
	 ) 5.8 4.1 4.1 volume=8513796.000 peak=953 ppm1=1.616 ppm2=8.234

assign ( resid 64 and name HB2
	 or resid 64 and name HB3
	 )
       ( resid 90 and name HE1
	 ) 5.9 4.3 4.3 volume=7246692.000 peak=955 ppm1=2.000 ppm2=8.134

assign ( resid 62 and name H
	 )
       ( resid 61 and name HB3
	 ) 2.8 1.0 1.0 volume=3865374.250 peak=956 ppm1=8.197 ppm2=2.638

assign ( resid 87 and name HA
	 )
       ( resid 90 and name HD2
	 ) 3.5 1.5 1.5 volume=31796484.000 peak=957 ppm1=4.190 ppm2=7.091

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HD2
	 ) 4.2 2.2 2.2 volume=17557454.000 peak=958 ppm1=3.996 ppm2=7.092

assign ( resid 86 and name HG3
	 )
       ( resid 90 and name HD2
	 ) 3.7 1.7 1.7 volume=14720535.000 peak=963 ppm1=1.161 ppm2=7.091

assign ( resid 48 and name HD2
	 )
       ( resid 45 and name HA
	 ) 5.2 3.5 3.4 volume=10593674.000 peak=964 ppm1=7.193 ppm2=4.282

assign ( resid 52 and name HG3
	 or resid 52 and name HG2
	 )
       ( resid 48 and name HD2
	 ) 4.6 2.7 2.7 volume=15372437.000 peak=968 ppm1=1.604 ppm2=7.197

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HB
	 ) 4.6 2.7 2.7 volume=12550545.000 peak=975 ppm1=7.066 ppm2=2.014

assign ( resid 86 and name HB3
	 )
       ( resid 82 and name HD#
	 ) 3.9 1.9 1.9 volume=13318502.000 peak=976 ppm1=1.723 ppm2=7.081

assign ( resid 90 and name HD2
	 )
       ( resid 86 and name HB3
	 ) 5.7 4.0 4.0 volume=7326321.000 peak=981 ppm1=7.091 ppm2=1.709

assign ( resid 90 and name HD2
	 )
       ( resid 86 and name HB2
	 ) 6.2 4.9 4.9 volume=5977980.000 peak=982 ppm1=7.091 ppm2=1.771

assign ( resid 50 and name HD#
	 )
       ( resid 51 and name HG3
	 ) 5.8 4.2 4.2 volume=16502919.000 peak=983 ppm1=7.068 ppm2=2.640

assign ( resid 64 and name HG3
	 )
       ( resid 90 and name HE1
	 ) 4.6 2.7 2.7 volume=5032489.000 peak=985 ppm1=1.367 ppm2=8.134

assign ( resid 52 and name HD3
	 )
       ( resid 48 and name HE1
	 ) 6.0 4.4 4.4 volume=5922347.000 peak=986 ppm1=3.271 ppm2=8.231

assign ( resid 54 and name HG12
	 )
       ( resid 50 and name HE#
	 ) 4.0 2.1 2.0 volume=20811564.000 peak=991 ppm1=1.223 ppm2=6.840

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HD1#
	 ) 3.3 1.3 1.3 volume=65256096.000 peak=992 ppm1=6.839 ppm2=0.579

assign ( resid 50 and name HD#
	 )
       ( resid 51 and name HA
	 ) 4.7 2.8 2.8 volume=20399160.000 peak=994 ppm1=7.069 ppm2=3.860

assign ( resid 50 and name HD#
	 )
       ( resid 104 and name HB#
	 ) 3.4 1.4 1.4 volume=22335746.000 peak=995 ppm1=7.071 ppm2=1.558

assign ( resid 50 and name HD#
	 )
       ( resid 104 and name HA
	 ) 4.2 2.2 2.2 volume=27070752.000 peak=996 ppm1=7.071 ppm2=4.060

assign ( resid 54 and name HD1#
	 )
       ( resid 50 and name HD#
	 ) 4.0 2.0 2.0 volume=24749570.000 peak=997 ppm1=0.580 ppm2=7.067

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HG2#
	 ) 4.7 2.8 2.7 volume=14754048.000 peak=999 ppm1=6.838 ppm2=0.838

assign ( resid 50 and name HD#
	 )
       ( resid 54 and name HG2#
	 ) 4.9 3.3 3.0 volume=9512202.000 peak=1000 ppm1=7.067 ppm2=0.835

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HG13
	 ) 2.2 0.6 0.6 volume=52894352.000 peak=1002 ppm1=0.579 ppm2=1.063

assign ( resid 54 and name HA
	 )
       ( resid 54 and name HG13
	 ) 2.7 0.9 0.9 volume=23561958.000 peak=1004 ppm1=3.599 ppm2=1.064

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HA
	 ) 3.2 1.3 1.3 volume=25856192.000 peak=1005 ppm1=1.229 ppm2=3.600

assign ( resid 87 and name HB3
	 or resid 87 and name HB2
	 )
       ( resid 90 and name HD2
	 ) 5.6 4.1 3.9 volume=6599304.000 peak=1010 ppm1=2.180 ppm2=7.090

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HD2
	 ) 4.2 2.2 2.2 volume=18195332.000 peak=1012 ppm1=4.522 ppm2=7.197

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HB
	 ) 2.6 0.8 0.8 volume=85356128.000 peak=1016 ppm1=0.581 ppm2=1.946

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HD1#
	 ) 2.2 0.6 0.6 volume=128763864.000 peak=1017 ppm1=1.227 ppm2=0.585

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HD1#
	 ) 1.9 0.5 0.5 volume=214871664.000 peak=1019 ppm1=0.837 ppm2=0.585

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name HD1#
	 ) 6.1 5.6 4.7 volume=12737363.000 peak=1020 ppm1=3.145 ppm2=0.583

assign ( resid 54 and name HD1#
	 )
       ( resid 53 and name HB2
	 ) 4.8 3.3 2.8 volume=18282048.000 peak=1023 ppm1=0.574 ppm2=2.953

assign ( resid 53 and name HB2
	 )
       ( resid 54 and name HG2#
	 ) 5.3 3.6 3.6 volume=12095408.000 peak=1024 ppm1=2.954 ppm2=0.837

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name HG2#
	 ) 6.7 5.7 5.7 volume=7457302.000 peak=1025 ppm1=3.143 ppm2=0.835

assign ( resid 54 and name HD1#
	 )
       ( resid 51 and name HG3
	 ) 4.8 2.9 2.9 volume=10891215.000 peak=1026 ppm1=0.582 ppm2=2.637

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HG13
	 ) 5.4 3.7 3.7 volume=8067372.000 peak=1027 ppm1=6.832 ppm2=1.069

assign ( resid 54 and name HG12
	 )
       ( resid 51 and name HA
	 ) 3.4 1.5 1.5 volume=14058266.000 peak=1028 ppm1=1.227 ppm2=3.861

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HG13
	 ) 5.3 3.5 3.5 volume=11811994.000 peak=1029 ppm1=3.870 ppm2=1.068

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HG13
	 ) 2.4 0.7 0.7 volume=40220148.000 peak=1034 ppm1=0.834 ppm2=1.063

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HG2#
	 ) 3.0 1.1 1.1 volume=104204512.000 peak=1037 ppm1=1.228 ppm2=0.837

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HB
	 ) 1.9 0.5 0.5 volume=207460656.000 peak=1038 ppm1=0.837 ppm2=1.960

assign ( resid 55 and name HA
	 )
       ( resid 54 and name HG2#
	 ) 3.1 1.2 1.2 volume=38931272.000 peak=1040 ppm1=4.075 ppm2=0.837

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=35214208.000 peak=1041 ppm1=3.865 ppm2=0.838

assign ( resid 54 and name HB
	 )
       ( resid 54 and name HA
	 ) 2.7 0.9 0.9 volume=39141904.000 peak=1042 ppm1=1.962 ppm2=3.599

assign ( resid 54 and name HG13
	 )
       ( resid 54 and name HB
	 ) 3.3 1.3 1.3 volume=47579864.000 peak=1045 ppm1=1.063 ppm2=1.959

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HB
	 ) 2.7 0.9 0.9 volume=52842828.000 peak=1046 ppm1=1.228 ppm2=1.958

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HB
	 ) 3.0 1.1 1.1 volume=44440964.000 peak=1047 ppm1=3.864 ppm2=1.960

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HA
	 ) 2.4 0.7 0.7 volume=136240224.000 peak=1051 ppm1=0.836 ppm2=3.599

assign ( resid 53 and name HB2
	 )
       ( resid 54 and name HA
	 ) 4.2 2.2 2.2 volume=16429693.000 peak=1053 ppm1=2.963 ppm2=3.600

assign ( resid 54 and name HA
	 )
       ( resid 51 and name HA
	 ) 5.2 3.4 3.4 volume=14481743.000 peak=1056 ppm1=3.596 ppm2=3.862

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HG2#
	 ) 3.9 1.9 1.9 volume=33575608.000 peak=1059 ppm1=7.069 ppm2=0.968

assign ( resid 115 and name HB
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 4.7 2.7 2.7 volume=13911084.000 peak=1062 ppm1=2.078 ppm2=3.964

assign ( resid 105 and name HA
	 )
       ( resid 106 and name HA
	 ) 3.7 1.7 1.7 volume=45314612.000 peak=1065 ppm1=3.897 ppm2=4.067

assign ( resid 105 and name HG2#
	 )
       ( resid 105 and name HA
	 ) 2.3 0.7 0.7 volume=135001728.000 peak=1066 ppm1=1.007 ppm2=3.906

assign ( resid 106 and name HA
	 )
       ( resid 105 and name HG2#
	 ) 3.2 1.3 1.3 volume=30992672.000 peak=1067 ppm1=4.055 ppm2=1.006

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HG2#
	 ) 1.7 0.3 0.3 volume=348914336.000 peak=1068 ppm1=1.127 ppm2=1.006

assign ( resid 106 and name HA
	 )
       ( resid 106 and name HB
	 ) 2.7 0.9 0.9 volume=147948800.000 peak=1069 ppm1=4.064 ppm2=4.413

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 106 and name HB
	 ) 4.7 2.7 2.7 volume=23691988.000 peak=1071 ppm1=1.560 ppm2=4.418

assign ( resid 104 and name HA
	 )
       ( resid 104 and name HB#
	 ) 1.7 0.4 0.4 volume=384211648.000 peak=1074 ppm1=4.066 ppm2=1.560

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HB
	 ) 2.7 0.9 0.9 volume=51298620.000 peak=1076 ppm1=1.653 ppm2=2.023

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 103 and name HA
	 ) 2.6 0.8 0.8 volume=128163344.000 peak=1078 ppm1=1.568 ppm2=4.344

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HB3
	 ) 3.0 1.1 1.1 volume=153317312.000 peak=1083 ppm1=4.165 ppm2=2.139

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 2.3 0.6 0.6 volume=120044896.000 peak=1084 ppm1=4.163 ppm2=2.073

assign ( resid 80 and name HB#
	 )
       ( resid 80 and name HA
	 ) 1.8 0.4 0.4 volume=270725824.000 peak=1086 ppm1=1.424 ppm2=4.238

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HD#
	 ) 4.1 2.1 2.1 volume=46884356.000 peak=1087 ppm1=3.781 ppm2=7.082

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HA
	 ) 3.6 1.6 1.6 volume=50458712.000 peak=1088 ppm1=3.259 ppm2=3.777

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HA
	 ) 3.6 1.6 1.6 volume=15952002.000 peak=1090 ppm1=0.640 ppm2=3.776

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HB3
	 ) 3.8 1.8 1.8 volume=24981394.000 peak=1092 ppm1=3.697 ppm2=1.710

assign ( resid 86 and name HB2
	 )
       ( resid 86 and name HA
	 ) 2.2 0.6 0.6 volume=24051542.000 peak=1093 ppm1=1.731 ppm2=3.693

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HB2
	 ) 2.5 0.8 0.8 volume=37292040.000 peak=1095 ppm1=2.972 ppm2=3.261

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HA
	 ) 3.1 1.2 1.2 volume=17069664.000 peak=1096 ppm1=2.971 ppm2=3.777

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 82 and name HB3
	 ) 4.1 2.1 2.1 volume=13035312.000 peak=1102 ppm1=1.050 ppm2=2.979

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 82 and name HB2
	 ) 4.4 2.4 2.4 volume=11884012.000 peak=1103 ppm1=1.049 ppm2=3.258

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 2.5 0.8 0.8 volume=126516336.000 peak=1104 ppm1=4.211 ppm2=1.047

assign ( resid 78 and name HA
	 )
       ( resid 79 and name HG1#
	 ) 4.6 2.6 2.6 volume=16654243.000 peak=1105 ppm1=4.463 ppm2=1.056

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 78 and name HA
	 ) 3.9 1.9 1.9 volume=52831180.000 peak=1106 ppm1=1.059 ppm2=4.472

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HA
	 ) 2.9 1.1 1.1 volume=94876808.000 peak=1107 ppm1=2.860 ppm2=4.462

assign ( resid 111 and name HA
	 )
       ( resid 111 and name HB3
	 ) 3.0 1.1 1.1 volume=90943208.000 peak=1108 ppm1=4.701 ppm2=2.853

assign ( resid 62 and name HA
	 )
       ( resid 65 and name HB2
	 ) 2.9 1.0 1.0 volume=58939104.000 peak=1109 ppm1=4.172 ppm2=2.855

assign ( resid 62 and name HB2
	 )
       ( resid 65 and name HB2
	 ) 4.7 2.7 2.7 volume=26445124.000 peak=1111 ppm1=2.289 ppm2=2.854

assign ( resid 62 and name HB2
	 )
       ( resid 65 and name HB3
	 ) 5.8 4.2 4.2 volume=22010886.000 peak=1112 ppm1=2.289 ppm2=2.950

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HB3
	 ) 3.5 1.6 1.6 volume=59070264.000 peak=1114 ppm1=4.018 ppm2=3.257

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HD#
	 ) 3.9 1.9 1.9 volume=59360408.000 peak=1117 ppm1=4.035 ppm2=7.068

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HA
	 ) 5.4 3.6 3.6 volume=12250472.000 peak=1118 ppm1=6.838 ppm2=4.022

assign ( resid 50 and name HA
	 )
       ( resid 53 and name HB2
	 ) 3.2 1.3 1.3 volume=22430472.000 peak=1119 ppm1=4.026 ppm2=2.946

assign ( resid 50 and name HA
	 )
       ( resid 53 and name HB3
	 ) 4.0 2.0 2.0 volume=19619308.000 peak=1120 ppm1=4.026 ppm2=3.149

assign ( resid 53 and name HB2
	 )
       ( resid 104 and name HB#
	 ) 2.8 1.0 1.0 volume=54190476.000 peak=1121 ppm1=2.943 ppm2=1.560

assign ( resid 53 and name HA
	 )
       ( resid 56 and name HD1#
	 ) 2.6 0.8 0.8 volume=91495352.000 peak=1123 ppm1=3.873 ppm2=0.840

assign ( resid 53 and name HB3
	 )
       ( resid 31 and name HD1#
	 ) 3.4 1.4 1.4 volume=19455324.000 peak=1124 ppm1=3.149 ppm2=1.014

assign ( resid 105 and name HA
	 )
       ( resid 104 and name HB#
	 ) 3.4 1.4 1.4 volume=45137616.000 peak=1127 ppm1=3.911 ppm2=1.560

assign ( resid 69 and name HB2
	 )
       ( resid 66 and name HA
	 ) 3.1 1.2 1.2 volume=49017604.000 peak=1129 ppm1=1.831 ppm2=4.065

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB2
	 ) 3.5 1.6 1.6 volume=42020600.000 peak=1130 ppm1=4.243 ppm2=1.827

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB3
	 ) 3.1 1.2 1.2 volume=42534604.000 peak=1131 ppm1=4.242 ppm2=2.020

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HA
	 ) 3.8 1.8 1.8 volume=29788852.000 peak=1132 ppm1=2.965 ppm2=4.064

assign ( resid 66 and name HB#
	 )
       ( resid 63 and name HA
	 ) 2.3 0.7 0.7 volume=116237240.000 peak=1133 ppm1=1.557 ppm2=4.503

assign ( resid 104 and name HB#
	 )
       ( resid 105 and name HG1#
	 ) 2.8 1.0 1.0 volume=27256020.000 peak=1134 ppm1=1.564 ppm2=1.131

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HG2#
	 ) 2.4 0.7 0.7 volume=103474432.000 peak=1137 ppm1=3.687 ppm2=1.235

assign ( resid 100 and name HB3
	 )
       ( resid 97 and name HA
	 ) 3.3 1.4 1.4 volume=34243900.000 peak=1138 ppm1=1.919 ppm2=3.687

assign ( resid 97 and name HG2#
	 )
       ( resid 97 and name HB
	 ) 2.1 0.5 0.5 volume=189468944.000 peak=1140 ppm1=1.224 ppm2=4.543

assign ( resid 101 and name HB2
	 )
       ( resid 97 and name HG2#
	 ) 3.4 1.4 1.4 volume=33527818.000 peak=1143 ppm1=2.246 ppm2=1.235

assign ( resid 101 and name HB3
	 )
       ( resid 97 and name HG2#
	 ) 2.9 1.1 1.1 volume=27526432.000 peak=1144 ppm1=2.086 ppm2=1.236

assign ( resid 97 and name HG2#
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 3.5 1.5 1.5 volume=50012008.000 peak=1145 ppm1=1.232 ppm2=2.421

assign ( resid 100 and name HB3
	 )
       ( resid 97 and name HG2#
	 ) 3.7 1.7 1.7 volume=26500904.000 peak=1146 ppm1=1.939 ppm2=1.235

assign ( resid 98 and name HA
	 )
       ( resid 97 and name HG2#
	 ) 3.0 1.1 1.1 volume=61969760.000 peak=1147 ppm1=4.108 ppm2=1.235

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name HA
	 ) 3.4 1.5 1.5 volume=93145984.000 peak=1148 ppm1=2.787 ppm2=4.452

assign ( resid 94 and name HB3
	 )
       ( resid 94 and name HA
	 ) 2.9 1.0 1.0 volume=93214856.000 peak=1149 ppm1=2.669 ppm2=4.453

assign ( resid 97 and name HG2#
	 )
       ( resid 94 and name HA
	 ) 3.7 1.7 1.7 volume=64940696.000 peak=1150 ppm1=1.236 ppm2=4.454

assign ( resid 94 and name HB3
	 )
       ( resid 91 and name HA
	 ) 3.7 1.7 1.7 volume=55980432.000 peak=1155 ppm1=2.666 ppm2=3.946

assign ( resid 91 and name HG2#
	 )
       ( resid 91 and name HA
	 ) 2.4 0.7 0.7 volume=167700512.000 peak=1156 ppm1=1.287 ppm2=3.946

assign ( resid 91 and name HB
	 )
       ( resid 91 and name HG2#
	 ) 1.9 0.4 0.4 volume=357523200.000 peak=1157 ppm1=4.289 ppm2=1.291

assign ( resid 91 and name HA
	 )
       ( resid 91 and name HB
	 ) 3.0 1.1 1.1 volume=88352976.000 peak=1158 ppm1=3.945 ppm2=4.286

assign ( resid 88 and name HG2
	 or resid 88 and name HG3
	 )
       ( resid 91 and name HB
	 ) 5.2 3.4 3.4 volume=12051122.000 peak=1159 ppm1=2.572 ppm2=4.283

assign ( resid 88 and name HB2
	 )
       ( resid 91 and name HB
	 ) 4.9 2.9 2.9 volume=27630776.000 peak=1160 ppm1=2.351 ppm2=4.288

assign ( resid 88 and name HB3
	 )
       ( resid 91 and name HB
	 ) 4.2 2.2 2.2 volume=21784618.000 peak=1161 ppm1=2.054 ppm2=4.284

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HA
	 ) 2.3 0.7 0.7 volume=53857848.000 peak=1162 ppm1=0.952 ppm2=3.493

assign ( resid 68 and name HA
	 )
       ( resid 68 and name HG3
	 ) 2.6 0.8 0.8 volume=167646592.000 peak=1163 ppm1=4.175 ppm2=2.618

assign ( resid 94 and name HB2
	 )
       ( resid 91 and name HG2#
	 ) 3.9 1.9 1.9 volume=24432202.000 peak=1164 ppm1=2.788 ppm2=1.291

assign ( resid 94 and name HB3
	 )
       ( resid 91 and name HG2#
	 ) 4.9 3.0 3.0 volume=19780606.000 peak=1165 ppm1=2.651 ppm2=1.291

assign ( resid 90 and name HB2
	 )
       ( resid 90 and name HA
	 ) 3.3 1.4 1.4 volume=22418654.000 peak=1168 ppm1=3.399 ppm2=4.002

assign ( resid 90 and name HD2
	 )
       ( resid 90 and name HB3
	 ) 4.5 2.8 2.5 volume=7070824.000 peak=1169 ppm1=7.088 ppm2=3.302

assign ( resid 90 and name HD2
	 )
       ( resid 90 and name HB2
	 ) 3.5 1.5 1.5 volume=8635558.000 peak=1170 ppm1=7.091 ppm2=3.404

assign ( resid 90 and name HB2
	 )
       ( resid 67 and name HD2#
	 ) 4.3 2.4 2.3 volume=12560932.000 peak=1172 ppm1=3.392 ppm2=0.719

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HB3
	 ) 4.5 2.7 2.5 volume=32141842.000 peak=1174 ppm1=0.723 ppm2=3.302

assign ( resid 51 and name HG3
	 )
       ( resid 48 and name HA
	 ) 6.3 4.9 4.9 volume=8793744.000 peak=1175 ppm1=2.646 ppm2=4.524

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HB2
	 or resid 42 and name HB3
	 ) 3.4 1.4 1.4 volume=27130956.000 peak=1177 ppm1=4.520 ppm2=2.307

assign ( resid 48 and name HD2
	 )
       ( resid 48 and name HB3
	 ) 3.3 1.3 1.3 volume=10790904.000 peak=1178 ppm1=7.199 ppm2=3.380

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HB3
	 ) 3.8 1.8 1.8 volume=36934480.000 peak=1180 ppm1=4.520 ppm2=3.380

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HB2
	 ) 3.3 1.3 1.3 volume=37601984.000 peak=1181 ppm1=4.523 ppm2=3.454

assign ( resid 112 and name HG2#
	 )
       ( resid 113 and name HA
	 ) 3.8 1.8 1.8 volume=32069350.000 peak=1182 ppm1=0.882 ppm2=4.335

assign ( resid 110 and name HA
	 )
       ( resid 111 and name HB2
	 ) 5.0 3.1 3.1 volume=21722864.000 peak=1186 ppm1=4.252 ppm2=2.730

assign ( resid 105 and name HB
	 )
       ( resid 102 and name HA3
	 ) 4.0 2.0 2.0 volume=13034408.000 peak=1187 ppm1=2.267 ppm2=3.920

assign ( resid 105 and name HG1#
	 )
       ( resid 102 and name HA3
	 ) 4.2 2.2 2.2 volume=13123254.000 peak=1188 ppm1=1.126 ppm2=3.922

assign ( resid 105 and name HG2#
	 )
       ( resid 102 and name HA3
	 ) 4.7 2.8 2.8 volume=10525870.000 peak=1189 ppm1=1.000 ppm2=3.924

assign ( resid 105 and name HG2#
	 )
       ( resid 105 and name HB
	 ) 1.9 0.4 0.4 volume=227317696.000 peak=1190 ppm1=1.005 ppm2=2.266

assign ( resid 105 and name HA
	 )
       ( resid 105 and name HB
	 ) 2.7 0.9 0.9 volume=116760368.000 peak=1197 ppm1=3.907 ppm2=2.266

assign ( resid 78 and name HA
	 )
       ( resid 78 and name HB3
	 ) 2.8 1.0 1.0 volume=59013284.000 peak=1198 ppm1=4.470 ppm2=2.180

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HA
	 ) 2.2 0.6 0.6 volume=229006144.000 peak=1199 ppm1=1.129 ppm2=3.906

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HB
	 ) 1.9 0.5 0.5 volume=231375408.000 peak=1200 ppm1=1.129 ppm2=2.266

assign ( resid 101 and name HG3
	 or resid 101 and name HG2
	 )
       ( resid 105 and name HG1#
	 ) 3.5 1.5 1.5 volume=41032552.000 peak=1201 ppm1=2.472 ppm2=1.130

assign ( resid 104 and name HB#
	 )
       ( resid 101 and name HA
	 ) 2.2 0.6 0.6 volume=189882784.000 peak=1202 ppm1=1.564 ppm2=4.130

assign ( resid 19 and name HD2
	 )
       ( resid 19 and name HA
	 ) 4.4 2.4 2.4 volume=67073040.000 peak=1203 ppm1=3.254 ppm2=4.103

assign ( resid 111 and name HA
	 )
       ( resid 110 and name HA
	 ) 4.8 2.9 2.9 volume=24406330.000 peak=1204 ppm1=4.697 ppm2=4.241

assign ( resid 81 and name HB3
	 or resid 81 and name HB2
	 )
       ( resid 80 and name HA
	 ) 4.7 2.8 2.8 volume=32738424.000 peak=1206 ppm1=2.904 ppm2=4.236

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 80 and name HA
	 ) 4.4 2.4 2.4 volume=28156370.000 peak=1207 ppm1=1.049 ppm2=4.239

assign ( resid 81 and name HA
	 )
       ( resid 80 and name HB#
	 ) 4.3 2.3 2.3 volume=17724482.000 peak=1211 ppm1=4.727 ppm2=1.421

assign ( resid 81 and name HB3
	 or resid 81 and name HB2
	 )
       ( resid 81 and name HA
	 ) 3.1 1.2 1.2 volume=28423146.000 peak=1212 ppm1=2.921 ppm2=4.724

assign ( resid 84 and name HB3
	 or resid 84 and name HB2
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 4.1 2.1 2.1 volume=37628772.000 peak=1213 ppm1=2.148 ppm2=2.921

assign ( resid 83 and name HB2
	 or resid 83 and name HB3
	 )
       ( resid 84 and name HB3
	 or resid 84 and name HB2
	 ) 4.4 2.4 2.4 volume=40622648.000 peak=1214 ppm1=2.908 ppm2=2.130

assign ( resid 65 and name HB3
	 )
       ( resid 65 and name HA
	 ) 2.5 0.8 0.8 volume=165767888.000 peak=1215 ppm1=2.948 ppm2=4.462

assign ( resid 65 and name HA
	 )
       ( resid 68 and name HB2
	 ) 2.7 0.9 0.9 volume=96723488.000 peak=1217 ppm1=4.485 ppm2=2.274

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HA
	 ) 3.8 1.8 1.8 volume=116645648.000 peak=1218 ppm1=2.940 ppm2=4.164

assign ( resid 66 and name HB#
	 )
       ( resid 65 and name HB2
	 or resid 65 and name HB3
	 ) 4.7 2.7 2.7 volume=14969778.000 peak=1220 ppm1=1.586 ppm2=2.952

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HG3
	 ) 5.0 3.1 3.1 volume=21269080.000 peak=1221 ppm1=2.949 ppm2=2.278

assign ( resid 69 and name HE3
	 )
       ( resid 69 and name HG3
	 ) 3.2 1.2 1.2 volume=59112896.000 peak=1222 ppm1=2.951 ppm2=1.593

assign ( resid 116 and name HA3
	 or resid 116 and name HA2
	 )
       ( resid 115 and name HA
	 ) 5.6 3.9 3.9 volume=83664608.000 peak=1223 ppm1=3.955 ppm2=4.093

assign ( resid 111 and name HA
	 )
       ( resid 112 and name HA
	 ) 4.5 2.5 2.5 volume=29964156.000 peak=1224 ppm1=4.697 ppm2=4.240

assign ( resid 50 and name HE#
	 )
       ( resid 107 and name HG2#
	 ) 4.2 2.2 2.2 volume=11228352.000 peak=1226 ppm1=6.835 ppm2=0.969

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HG12
	 ) 3.0 1.1 1.1 volume=49536628.000 peak=1228 ppm1=4.240 ppm2=1.447

assign ( resid 103 and name HG
	 )
       ( resid 103 and name HB3
	 or resid 103 and name HB2
	 ) 2.8 1.0 1.0 volume=44823892.000 peak=1232 ppm1=2.061 ppm2=1.583

assign ( resid 53 and name HB2
	 )
       ( resid 103 and name HB3
	 ) 4.8 2.9 2.9 volume=13727759.000 peak=1233 ppm1=2.936 ppm2=1.571

assign ( resid 32 and name HG
	 )
       ( resid 32 and name HA
	 ) 2.9 1.0 1.0 volume=62511896.000 peak=1234 ppm1=1.563 ppm2=3.968

assign ( resid 41 and name HB3
	 )
       ( resid 41 and name HD1#
	 ) 2.2 0.6 0.6 volume=283758368.000 peak=1235 ppm1=1.787 ppm2=0.865

assign ( resid 41 and name HD1#
	 )
       ( resid 41 and name HG
	 ) 1.9 0.4 0.4 volume=252390656.000 peak=1237 ppm1=0.870 ppm2=1.581

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HA
	 ) 3.6 1.6 1.6 volume=58681720.000 peak=1239 ppm1=2.221 ppm2=4.158

assign ( resid 56 and name HG
	 )
       ( resid 53 and name HB2
	 ) 6.0 4.5 4.5 volume=5326044.500 peak=1240 ppm1=1.210 ppm2=2.943

assign ( resid 56 and name HG
	 )
       ( resid 53 and name HB3
	 ) 6.0 4.5 4.5 volume=4323983.500 peak=1241 ppm1=1.198 ppm2=3.144

assign ( resid 56 and name HA
	 )
       ( resid 56 and name HD2#
	 ) 2.3 0.7 0.7 volume=144157920.000 peak=1244 ppm1=4.146 ppm2=0.852

assign ( resid 29 and name HB2
	 )
       ( resid 29 and name HA
	 ) 3.0 1.1 1.1 volume=157941728.000 peak=1248 ppm1=2.828 ppm2=4.355

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HB3
	 ) 2.5 0.8 0.8 volume=201407520.000 peak=1249 ppm1=4.345 ppm2=2.618

assign ( resid 96 and name HA
	 )
       ( resid 99 and name HA
	 ) 3.9 1.9 1.9 volume=139863936.000 peak=1251 ppm1=4.285 ppm2=4.078

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HG2
	 ) 3.1 1.2 1.2 volume=46833896.000 peak=1253 ppm1=4.103 ppm2=2.697

assign ( resid 68 and name HB3
	 )
       ( resid 69 and name HA
	 ) 3.5 1.5 2.5 volume=188413696.000 peak=1257 ppm1=2.266 ppm2=4.238

assign ( resid 62 and name HB3
	 )
       ( resid 59 and name HA
	 ) 2.8 1.0 1.0 volume=72205456.000 peak=1259 ppm1=2.141 ppm2=4.208

assign ( resid 62 and name HG3
	 )
       ( resid 59 and name HA
	 ) 4.2 2.2 2.2 volume=94987296.000 peak=1260 ppm1=2.275 ppm2=4.207

assign ( resid 62 and name HG2
	 )
       ( resid 59 and name HA
	 ) 4.6 2.6 2.6 volume=26415100.000 peak=1261 ppm1=2.498 ppm2=4.205

assign ( resid 24 and name HD1#
	 )
       ( resid 59 and name HA
	 ) 3.6 1.7 1.7 volume=20737368.000 peak=1262 ppm1=0.820 ppm2=4.206

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 2.2 0.6 0.6 volume=165059696.000 peak=1263 ppm1=4.125 ppm2=0.826

assign ( resid 59 and name HB#
	 )
       ( resid 59 and name HA
	 ) 2.0 0.5 0.5 volume=242309104.000 peak=1264 ppm1=1.590 ppm2=4.207

assign ( resid 59 and name HB#
	 )
       ( resid 60 and name HA
	 ) 3.9 1.9 1.9 volume=10946144.000 peak=1265 ppm1=1.592 ppm2=3.469

assign ( resid 62 and name HG3
	 )
       ( resid 59 and name HB#
	 ) 5.1 3.2 3.2 volume=26381312.000 peak=1266 ppm1=2.279 ppm2=1.583

assign ( resid 62 and name HB3
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=27404982.000 peak=1267 ppm1=2.135 ppm2=1.581

assign ( resid 24 and name HB3
	 or resid 24 and name HB2
	 )
       ( resid 59 and name HB#
	 ) 3.4 1.4 1.4 volume=31747916.000 peak=1268 ppm1=1.937 ppm2=1.585

assign ( resid 24 and name HD1#
	 )
       ( resid 59 and name HB#
	 ) 1.3 0.2 4.7 volume=251420064.000 peak=1269 ppm1=0.842 ppm2=1.587

assign ( resid 84 and name HA
	 )
       ( resid 84 and name HB3
	 or resid 84 and name HB2
	 ) 2.7 0.9 0.9 volume=130908064.000 peak=1271 ppm1=4.108 ppm2=2.117

assign ( resid 97 and name HB
	 )
       ( resid 96 and name HA
	 ) 4.8 2.9 2.9 volume=21170272.000 peak=1273 ppm1=4.522 ppm2=4.284

assign ( resid 95 and name HB3
	 )
       ( resid 96 and name HA
	 ) 3.2 1.3 1.3 volume=112838160.000 peak=1274 ppm1=2.080 ppm2=4.286

assign ( resid 48 and name HB2
	 )
       ( resid 45 and name HA
	 ) 2.9 1.0 1.0 volume=82097616.000 peak=1275 ppm1=3.423 ppm2=4.284

assign ( resid 96 and name HB3
	 )
       ( resid 96 and name HD1#
	 ) 2.7 0.9 0.9 volume=48475740.000 peak=1276 ppm1=1.446 ppm2=0.780

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HD2#
	 ) 1.7 0.4 0.4 volume=281069120.000 peak=1277 ppm1=0.798 ppm2=0.924

assign ( resid 78 and name HG2
	 )
       ( resid 77 and name HA
	 ) 6.0 4.5 4.5 volume=13123989.000 peak=1280 ppm1=2.031 ppm2=4.726

assign ( resid 74 and name HB2
	 )
       ( resid 73 and name HB#
	 ) 4.4 2.4 2.4 volume=22603382.000 peak=1283 ppm1=2.714 ppm2=1.353

assign ( resid 74 and name HB3
	 )
       ( resid 73 and name HB#
	 ) 4.4 2.4 2.4 volume=22358194.000 peak=1284 ppm1=2.835 ppm2=1.353

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HG3
	 ) 3.1 1.2 1.2 volume=77793792.000 peak=1286 ppm1=4.316 ppm2=2.370

assign ( resid 45 and name HA
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 3.4 1.4 1.4 volume=39459768.000 peak=1287 ppm1=4.274 ppm2=1.467

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HG2
	 or resid 57 and name HG3
	 ) 3.6 1.6 1.6 volume=20942922.000 peak=1288 ppm1=3.866 ppm2=1.453

assign ( resid 47 and name HB2
	 or resid 47 and name HB3
	 )
       ( resid 44 and name HA
	 ) 3.0 1.2 1.2 volume=79300216.000 peak=1293 ppm1=2.209 ppm2=4.520

assign ( resid 44 and name HA
	 )
       ( resid 44 and name HB2
	 ) 2.6 0.9 0.9 volume=82575024.000 peak=1294 ppm1=4.521 ppm2=2.806

assign ( resid 45 and name HA
	 )
       ( resid 44 and name HB2
	 ) 4.3 2.3 2.3 volume=13225014.000 peak=1296 ppm1=4.273 ppm2=2.795

assign ( resid 45 and name HA
	 )
       ( resid 44 and name HB3
	 ) 4.3 2.3 2.3 volume=14390406.000 peak=1297 ppm1=4.268 ppm2=3.033

assign ( resid 44 and name HB2
	 )
       ( resid 44 and name HB3
	 ) 1.8 0.4 0.4 volume=327907520.000 peak=1298 ppm1=2.805 ppm2=3.020

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HB2
	 ) 5.6 3.9 3.9 volume=7991940.000 peak=1301 ppm1=2.506 ppm2=2.806

assign ( resid 43 and name HG2
	 )
       ( resid 44 and name HB2
	 ) 6.6 5.4 5.4 volume=16280658.000 peak=1302 ppm1=2.225 ppm2=2.807

assign ( resid 43 and name HG2
	 )
       ( resid 44 and name HB3
	 ) 6.3 4.9 4.9 volume=13089633.000 peak=1303 ppm1=2.228 ppm2=3.021

assign ( resid 110 and name HA
	 )
       ( resid 110 and name HB2
	 ) 2.8 1.0 1.0 volume=72861784.000 peak=1304 ppm1=4.252 ppm2=2.058

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HG3
	 ) 2.7 0.9 0.9 volume=139051552.000 peak=1305 ppm1=4.164 ppm2=2.270

assign ( resid 52 and name HB2
	 )
       ( resid 49 and name HB
	 ) 4.7 2.8 2.8 volume=19734078.000 peak=1306 ppm1=1.876 ppm2=2.129

assign ( resid 109 and name HA
	 )
       ( resid 109 and name HB3
	 or resid 109 and name HB2
	 ) 2.5 0.8 0.8 volume=176662464.000 peak=1307 ppm1=4.300 ppm2=1.867

assign ( resid 15 and name HB3
	 or resid 15 and name HB2
	 )
       ( resid 16 and name HA
	 ) 5.0 3.1 3.1 volume=9904954.000 peak=1309 ppm1=2.184 ppm2=4.122

assign ( resid 17 and name HB2
	 or resid 17 and name HB3
	 )
       ( resid 16 and name HA
	 ) 4.6 2.6 2.6 volume=34014904.000 peak=1310 ppm1=1.837 ppm2=4.120

assign ( resid 77 and name HB#
	 )
       ( resid 78 and name HD3
	 ) 4.1 2.1 2.1 volume=31246440.000 peak=1314 ppm1=1.371 ppm2=3.809

assign ( resid 74 and name HA
	 )
       ( resid 74 and name HB2
	 ) 3.0 1.1 1.1 volume=33608216.000 peak=1317 ppm1=4.569 ppm2=2.713

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 13 and name HB2
	 or resid 13 and name HB3
	 ) 4.3 2.4 2.4 volume=16327436.000 peak=1324 ppm1=3.832 ppm2=2.352

assign ( resid 77 and name HA
	 )
       ( resid 78 and name HG3
	 ) 5.7 4.1 4.1 volume=15624198.000 peak=1327 ppm1=4.721 ppm2=2.074

assign ( resid 12 and name HA
	 )
       ( resid 13 and name HG2
	 or resid 13 and name HG3
	 ) 6.1 4.7 4.7 volume=9951688.000 peak=1328 ppm1=5.033 ppm2=2.058

assign ( resid 15 and name HG2
	 or resid 15 and name HG3
	 )
       ( resid 15 and name HA
	 ) 3.4 1.4 1.4 volume=52367272.000 peak=1329 ppm1=2.480 ppm2=3.996

assign ( resid 15 and name HB3
	 or resid 15 and name HB2
	 )
       ( resid 15 and name HA
	 ) 2.8 1.0 1.0 volume=103369424.000 peak=1330 ppm1=2.175 ppm2=3.995

assign ( resid 18 and name HD3
	 or resid 18 and name HD2
	 )
       ( resid 15 and name HA
	 ) 3.9 1.9 1.9 volume=26977050.000 peak=1331 ppm1=3.127 ppm2=3.996

assign ( resid 16 and name HB#
	 )
       ( resid 15 and name HG2
	 or resid 15 and name HG3
	 ) 4.3 2.4 2.4 volume=24114168.000 peak=1332 ppm1=1.474 ppm2=2.493

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HA
	 ) 5.7 4.1 4.1 volume=20558192.000 peak=1335 ppm1=7.089 ppm2=4.210

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HB
	 ) 2.5 0.8 0.8 volume=86892496.000 peak=1336 ppm1=4.215 ppm2=2.224

assign ( resid 82 and name HB2
	 )
       ( resid 79 and name HB
	 ) 4.2 2.2 2.2 volume=22188406.000 peak=1337 ppm1=3.257 ppm2=2.221

assign ( resid 71 and name HB2
	 )
       ( resid 71 and name HA
	 ) 3.1 1.2 1.2 volume=78607568.000 peak=1338 ppm1=3.891 ppm2=4.744

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HB3
	 ) 3.0 1.1 1.1 volume=80626568.000 peak=1339 ppm1=4.764 ppm2=3.986

assign ( resid 77 and name HA
	 )
       ( resid 76 and name HA
	 ) 4.7 2.8 2.8 volume=18696672.000 peak=1341 ppm1=4.732 ppm2=4.381

assign ( resid 78 and name HD2
	 )
       ( resid 76 and name HA
	 ) 5.2 3.3 3.3 volume=15794896.000 peak=1342 ppm1=3.657 ppm2=4.380

assign ( resid 76 and name HA
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 2.3 0.7 0.7 volume=116027416.000 peak=1343 ppm1=4.376 ppm2=3.948

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name HA
	 ) 3.0 1.1 1.1 volume=114217680.000 peak=1344 ppm1=2.831 ppm2=4.569

assign ( resid 73 and name HB#
	 )
       ( resid 74 and name HA
	 ) 3.9 1.9 1.9 volume=21128502.000 peak=1346 ppm1=1.356 ppm2=4.571

assign ( resid 74 and name HA
	 )
       ( resid 73 and name HA
	 ) 4.2 2.2 2.2 volume=20368754.000 peak=1348 ppm1=4.562 ppm2=4.138

assign ( resid 80 and name HB#
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 4.4 2.6 2.5 volume=13560139.000 peak=1349 ppm1=1.422 ppm2=2.923

assign ( resid 29 and name HB3
	 )
       ( resid 30 and name HA
	 ) 4.4 2.5 2.5 volume=14985827.000 peak=1351 ppm1=2.618 ppm2=4.270

assign ( resid 29 and name HB2
	 )
       ( resid 30 and name HA
	 ) 4.9 3.0 3.0 volume=10382189.000 peak=1352 ppm1=2.797 ppm2=4.276

assign ( resid 30 and name HA
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 2.5 0.8 0.8 volume=228119456.000 peak=1353 ppm1=4.258 ppm2=4.006

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 35 and name HA
	 ) 2.5 0.8 0.8 volume=174746688.000 peak=1355 ppm1=3.982 ppm2=4.122

assign ( resid 21 and name HB2
	 or resid 21 and name HB3
	 )
       ( resid 21 and name HA
	 ) 3.4 1.4 1.4 volume=32104748.000 peak=1356 ppm1=3.287 ppm2=4.470

assign ( resid 24 and name HD2#
	 )
       ( resid 21 and name HA
	 ) 2.9 1.1 1.1 volume=57967912.000 peak=1357 ppm1=0.837 ppm2=4.479

assign ( resid 61 and name HA
	 )
       ( resid 61 and name HB3
	 ) 3.6 1.6 1.6 volume=51363800.000 peak=1358 ppm1=4.347 ppm2=2.632

assign ( resid 62 and name HA
	 )
       ( resid 61 and name HB3
	 ) 3.7 1.7 1.7 volume=35869004.000 peak=1359 ppm1=4.162 ppm2=2.637

assign ( resid 56 and name HD1#
	 )
       ( resid 28 and name HA
	 ) 2.3 0.7 0.7 volume=113387960.000 peak=1363 ppm1=0.845 ppm2=3.493

assign ( resid 31 and name HB2
	 )
       ( resid 28 and name HA
	 ) 3.0 1.2 1.2 volume=34827716.000 peak=1364 ppm1=1.559 ppm2=3.494

assign ( resid 31 and name HA
	 )
       ( resid 28 and name HA
	 ) 5.1 3.2 3.2 volume=17336168.000 peak=1366 ppm1=4.209 ppm2=3.493

assign ( resid 28 and name HB
	 )
       ( resid 28 and name HG2#
	 ) 2.1 0.6 0.6 volume=37246980.000 peak=1367 ppm1=2.335 ppm2=1.125

assign ( resid 28 and name HB
	 )
       ( resid 28 and name HA
	 ) 3.2 1.3 1.3 volume=12220042.000 peak=1369 ppm1=2.335 ppm2=3.494

assign ( resid 28 and name HG2#
	 )
       ( resid 28 and name HA
	 ) 2.4 0.7 0.7 volume=80652744.000 peak=1372 ppm1=1.122 ppm2=3.494

assign ( resid 25 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.1 1.2 1.2 volume=32426898.000 peak=1374 ppm1=3.899 ppm2=1.125

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.5 1.5 1.5 volume=26457076.000 peak=1375 ppm1=4.127 ppm2=1.126

assign ( resid 100 and name HB2
	 )
       ( resid 28 and name HG2#
	 ) 3.1 1.2 2.9 volume=70354096.000 peak=1376 ppm1=1.926 ppm2=1.125

assign ( resid 41 and name HA
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 2.5 0.8 0.8 volume=46395472.000 peak=1380 ppm1=4.289 ppm2=1.773

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HA
	 ) 2.6 0.8 0.8 volume=111857520.000 peak=1381 ppm1=1.768 ppm2=4.431

assign ( resid 56 and name HD2#
	 )
       ( resid 56 and name HB3
	 ) 3.1 1.2 1.2 volume=28571502.000 peak=1384 ppm1=0.845 ppm2=1.203

assign ( resid 56 and name HB2
	 or resid 56 and name HB3
	 )
       ( resid 56 and name HA
	 ) 3.1 1.2 1.2 volume=11033796.000 peak=1385 ppm1=1.193 ppm2=4.155

assign ( resid 57 and name HB2
	 )
       ( resid 56 and name HB2
	 ) 4.2 2.2 2.2 volume=18025580.000 peak=1386 ppm1=1.970 ppm2=1.205

assign ( resid 53 and name HA
	 )
       ( resid 56 and name HB2
	 ) 3.6 1.6 1.6 volume=7430228.000 peak=1387 ppm1=3.922 ppm2=1.205

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HA
	 ) 3.2 1.3 1.3 volume=36694096.000 peak=1388 ppm1=1.340 ppm2=4.119

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HB3
	 or resid 24 and name HB2
	 ) 2.7 0.9 0.9 volume=67990752.000 peak=1389 ppm1=1.346 ppm2=1.952

assign ( resid 31 and name HB3
	 )
       ( resid 28 and name HA
	 ) 3.2 1.3 1.3 volume=15010571.000 peak=1391 ppm1=1.946 ppm2=3.494

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HB3
	 ) 4.5 2.5 2.5 volume=26889082.000 peak=1392 ppm1=4.471 ppm2=1.948

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HD1#
	 ) 2.1 0.6 0.6 volume=79619088.000 peak=1393 ppm1=1.351 ppm2=0.825

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 4.4 2.4 2.4 volume=21745024.000 peak=1394 ppm1=4.478 ppm2=0.824

assign ( resid 63 and name HB3
	 or resid 63 and name HB2
	 )
       ( resid 24 and name HD2#
	 ) 2.9 1.1 1.1 volume=57157608.000 peak=1395 ppm1=2.904 ppm2=0.843

assign ( resid 66 and name HB#
	 )
       ( resid 65 and name HB2
	 ) 4.4 2.5 2.5 volume=17287750.000 peak=1396 ppm1=1.573 ppm2=2.855

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name HG
	 ) 1.8 0.4 0.4 volume=224159328.000 peak=1398 ppm1=0.861 ppm2=1.771

assign ( resid 67 and name HD1#
	 )
       ( resid 67 and name HA
	 ) 2.5 0.8 0.8 volume=69893088.000 peak=1399 ppm1=0.743 ppm2=3.861

assign ( resid 67 and name HG
	 )
       ( resid 67 and name HA
	 ) 3.1 1.2 1.2 volume=50972812.000 peak=1400 ppm1=1.634 ppm2=3.863

assign ( resid 17 and name HD2#
	 )
       ( resid 67 and name HA
	 ) 2.9 1.0 1.0 volume=77223240.000 peak=1401 ppm1=0.898 ppm2=3.862

assign ( resid 68 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 4.0 2.0 2.0 volume=32303176.000 peak=1402 ppm1=4.196 ppm2=0.719

assign ( resid 86 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 3.9 1.9 1.9 volume=21227776.000 peak=1404 ppm1=3.698 ppm2=0.720

assign ( resid 67 and name HG
	 )
       ( resid 67 and name HD2#
	 ) 2.0 0.5 0.5 volume=136363392.000 peak=1405 ppm1=1.606 ppm2=0.719

assign ( resid 86 and name HG3
	 )
       ( resid 67 and name HD2#
	 ) 3.9 1.9 1.9 volume=15752802.000 peak=1406 ppm1=1.167 ppm2=0.720

assign ( resid 86 and name HA
	 )
       ( resid 67 and name HD1#
	 ) 3.4 1.4 1.4 volume=32158296.000 peak=1408 ppm1=3.695 ppm2=0.766

assign ( resid 114 and name HB2
	 )
       ( resid 114 and name HA
	 ) 2.2 0.6 0.6 volume=451616896.000 peak=1409 ppm1=2.057 ppm2=4.348

assign ( resid 70 and name HD2#
	 or resid 70 and name HD1#
	 )
       ( resid 70 and name HG
	 ) 2.0 0.5 0.5 volume=132989016.000 peak=1410 ppm1=0.909 ppm2=2.068

assign ( resid 70 and name HG
	 )
       ( resid 70 and name HD2#
	 ) 2.0 0.5 0.5 volume=173059984.000 peak=1411 ppm1=2.068 ppm2=0.907

assign ( resid 14 and name HD2#
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 3.7 1.8 1.8 volume=25656892.000 peak=1413 ppm1=0.712 ppm2=1.751

assign ( resid 17 and name HA
	 )
       ( resid 17 and name HG
	 ) 3.3 1.3 1.3 volume=50912656.000 peak=1415 ppm1=4.053 ppm2=1.722

assign ( resid 97 and name HB
	 )
       ( resid 98 and name HA
	 ) 4.0 2.0 2.0 volume=23462594.000 peak=1417 ppm1=4.571 ppm2=4.094

assign ( resid 90 and name HB2
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 4.7 2.7 2.7 volume=9812602.000 peak=1419 ppm1=3.409 ppm2=2.397

assign ( resid 42 and name HG3
	 )
       ( resid 42 and name HG2
	 ) 1.8 0.4 0.4 volume=349417760.000 peak=1420 ppm1=2.533 ppm2=2.407

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HG3
	 ) 3.7 1.7 1.7 volume=36332452.000 peak=1421 ppm1=4.530 ppm2=2.532

assign ( resid 43 and name HD2
	 or resid 43 and name HD3
	 )
       ( resid 42 and name HA
	 ) 2.7 0.9 0.9 volume=67449376.000 peak=1422 ppm1=3.918 ppm2=4.534

assign ( resid 42 and name HG2
	 )
       ( resid 42 and name HA
	 ) 3.8 1.8 1.8 volume=32347940.000 peak=1423 ppm1=2.406 ppm2=4.532

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HD3
	 ) 3.3 1.4 1.4 volume=20069940.000 peak=1426 ppm1=2.230 ppm2=3.988

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HD2
	 ) 3.0 1.1 1.1 volume=32237348.000 peak=1427 ppm1=4.522 ppm2=3.899

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HD3
	 ) 3.3 1.3 1.3 volume=29395490.000 peak=1428 ppm1=4.521 ppm2=3.985

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HD2
	 ) 3.8 1.8 1.8 volume=24494576.000 peak=1429 ppm1=2.225 ppm2=3.897

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG2
	 ) 2.9 1.1 1.1 volume=51183184.000 peak=1431 ppm1=4.237 ppm2=1.506

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG3
	 ) 3.2 1.3 1.3 volume=45361768.000 peak=1432 ppm1=4.246 ppm2=1.616

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HB3
	 ) 2.8 1.0 1.0 volume=93339520.000 peak=1434 ppm1=1.515 ppm2=1.919

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HB2
	 ) 2.9 1.0 1.0 volume=74038440.000 peak=1435 ppm1=4.082 ppm2=1.867

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HB3
	 ) 2.9 1.0 1.0 volume=84397632.000 peak=1436 ppm1=4.083 ppm2=1.920

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HB2
	 ) 2.5 0.8 0.8 volume=153347872.000 peak=1437 ppm1=1.514 ppm2=1.866

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HE3
	 or resid 38 and name HE2
	 ) 2.6 0.8 0.8 volume=74975184.000 peak=1438 ppm1=1.515 ppm2=3.040

assign ( resid 38 and name HD3
	 or resid 38 and name HD2
	 )
       ( resid 38 and name HE3
	 or resid 38 and name HE2
	 ) 2.1 0.5 0.5 volume=210934832.000 peak=1440 ppm1=1.724 ppm2=3.043

assign ( resid 54 and name HA
	 )
       ( resid 57 and name HB2
	 ) 3.4 1.4 1.4 volume=36823396.000 peak=1445 ppm1=3.624 ppm2=1.960

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HD3
	 or resid 57 and name HD2
	 ) 5.4 3.6 3.6 volume=17081282.000 peak=1447 ppm1=3.887 ppm2=1.583

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HB2
	 ) 3.2 1.3 1.3 volume=28885098.000 peak=1449 ppm1=3.655 ppm2=1.512

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HB2
	 ) 3.2 1.3 1.3 volume=24258582.000 peak=1451 ppm1=1.096 ppm2=1.513

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HB2
	 ) 3.8 1.8 1.8 volume=25449100.000 peak=1452 ppm1=1.222 ppm2=1.514

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HB3
	 ) 3.3 1.4 1.4 volume=22372464.000 peak=1453 ppm1=1.222 ppm2=1.577

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HB3
	 ) 3.8 1.8 1.8 volume=23100022.000 peak=1454 ppm1=1.098 ppm2=1.575

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HG2
	 ) 3.6 1.7 1.7 volume=23077826.000 peak=1456 ppm1=3.659 ppm2=1.101

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HE2
	 ) 2.5 0.8 0.8 volume=34070356.000 peak=1460 ppm1=1.223 ppm2=2.939

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HA
	 ) 3.8 1.8 1.8 volume=17047934.000 peak=1462 ppm1=1.217 ppm2=3.655

assign ( resid 72 and name HD2
	 or resid 72 and name HD3
	 )
       ( resid 72 and name HG3
	 ) 2.8 1.0 1.0 volume=57218480.000 peak=1464 ppm1=1.579 ppm2=1.226

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 2.9 1.1 1.1 volume=55676368.000 peak=1465 ppm1=1.095 ppm2=1.582

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HA
	 ) 5.3 3.5 3.5 volume=14593600.000 peak=1471 ppm1=2.957 ppm2=3.697

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HA
	 ) 5.0 3.1 3.1 volume=7270516.500 peak=1472 ppm1=7.090 ppm2=3.694

assign ( resid 67 and name HD2#
	 )
       ( resid 86 and name HB3
	 ) 5.0 3.1 3.1 volume=14940013.000 peak=1473 ppm1=0.733 ppm2=1.711

assign ( resid 67 and name HD2#
	 )
       ( resid 86 and name HB2
	 ) 4.7 2.7 2.7 volume=15253606.000 peak=1474 ppm1=0.734 ppm2=1.763

assign ( resid 86 and name HG3
	 )
       ( resid 86 and name HB2
	 ) 3.9 1.9 1.9 volume=17999194.000 peak=1476 ppm1=1.157 ppm2=1.757

assign ( resid 86 and name HD3
	 )
       ( resid 86 and name HB3
	 ) 3.4 1.4 1.4 volume=20723892.000 peak=1477 ppm1=1.327 ppm2=1.707

assign ( resid 86 and name HD3
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HB2
	 ) 4.0 2.0 2.0 volume=19016020.000 peak=1478 ppm1=1.325 ppm2=1.758

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HG3
	 ) 3.4 1.4 1.4 volume=19391872.000 peak=1479 ppm1=3.693 ppm2=1.159

assign ( resid 86 and name HB3
	 )
       ( resid 86 and name HG3
	 ) 2.7 0.9 0.9 volume=62190472.000 peak=1480 ppm1=1.724 ppm2=1.161

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 86 and name HG2
	 ) 2.7 0.9 0.9 volume=70382592.000 peak=1481 ppm1=1.729 ppm2=1.326

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HG3
	 ) 5.0 3.1 3.1 volume=14546250.000 peak=1482 ppm1=2.982 ppm2=1.166

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HG2
	 ) 3.5 1.5 1.5 volume=18807062.000 peak=1483 ppm1=2.971 ppm2=1.324

assign ( resid 86 and name HG2
	 )
       ( resid 86 and name HA
	 ) 3.4 1.5 1.5 volume=20836944.000 peak=1484 ppm1=1.322 ppm2=3.693

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HG2
	 ) 6.1 4.7 4.7 volume=8581244.000 peak=1485 ppm1=4.311 ppm2=1.323

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HG2
	 ) 4.6 2.6 2.6 volume=8251670.500 peak=1486 ppm1=7.089 ppm2=1.326

assign ( resid 82 and name HE#
	 )
       ( resid 86 and name HG2
	 ) 5.2 3.4 3.4 volume=6785984.000 peak=1487 ppm1=6.788 ppm2=1.338

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HA
	 ) 2.7 0.9 0.9 volume=57558520.000 peak=1489 ppm1=1.352 ppm2=4.139

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HA
	 ) 3.1 1.2 1.2 volume=60033852.000 peak=1490 ppm1=1.656 ppm2=4.139

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HB
	 ) 2.7 0.9 0.9 volume=108985696.000 peak=1491 ppm1=4.134 ppm2=2.021

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HB
	 ) 3.2 1.3 1.3 volume=15843124.000 peak=1494 ppm1=3.473 ppm2=2.028

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HB
	 ) 3.1 1.2 1.2 volume=35742000.000 peak=1495 ppm1=3.883 ppm2=2.031

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HG2#
	 ) 2.6 0.8 0.8 volume=74004304.000 peak=1497 ppm1=4.129 ppm2=0.968

assign ( resid 50 and name HB3
	 )
       ( resid 107 and name HG2#
	 ) 3.9 1.9 1.9 volume=41311192.000 peak=1498 ppm1=3.260 ppm2=0.968

assign ( resid 50 and name HB2
	 )
       ( resid 107 and name HG2#
	 ) 2.8 1.0 1.0 volume=34137724.000 peak=1499 ppm1=3.141 ppm2=0.968

assign ( resid 107 and name HB
	 )
       ( resid 107 and name HG2#
	 ) 1.9 0.5 0.5 volume=112226368.000 peak=1500 ppm1=2.019 ppm2=0.969

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HG2#
	 ) 3.2 1.3 1.3 volume=61848436.000 peak=1501 ppm1=1.657 ppm2=0.968

assign ( resid 107 and name HG2#
	 )
       ( resid 107 and name HG13
	 ) 2.4 0.7 0.7 volume=74368832.000 peak=1502 ppm1=0.953 ppm2=1.367

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HB
	 ) 3.4 1.4 1.4 volume=20499386.000 peak=1503 ppm1=1.361 ppm2=2.023

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HG12
	 ) 5.5 3.7 3.7 volume=7326661.000 peak=1505 ppm1=7.064 ppm2=1.649

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HB3
	 ) 3.2 1.3 1.3 volume=61862320.000 peak=1506 ppm1=4.124 ppm2=2.131

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 2.4 0.7 0.7 volume=106468568.000 peak=1507 ppm1=3.468 ppm2=1.007

assign ( resid 63 and name HA
	 )
       ( resid 60 and name HA
	 ) 5.5 3.8 3.8 volume=10138236.000 peak=1509 ppm1=4.497 ppm2=3.467

assign ( resid 97 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 4.0 2.0 2.0 volume=14355056.000 peak=1512 ppm1=3.687 ppm2=1.005

assign ( resid 61 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 3.9 1.9 1.9 volume=14181754.000 peak=1513 ppm1=4.362 ppm2=1.008

assign ( resid 97 and name HB
	 )
       ( resid 60 and name HG2#
	 ) 5.0 3.2 3.2 volume=8500011.000 peak=1514 ppm1=4.533 ppm2=1.007

assign ( resid 93 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 3.6 1.6 1.6 volume=18315512.000 peak=1515 ppm1=3.962 ppm2=1.008

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 4.1 2.1 2.1 volume=24576538.000 peak=1516 ppm1=3.871 ppm2=1.007

assign ( resid 97 and name HG2#
	 )
       ( resid 60 and name HG2#
	 ) 3.2 1.3 1.3 volume=40632936.000 peak=1517 ppm1=1.251 ppm2=1.006

assign ( resid 60 and name HD1#
	 )
       ( resid 60 and name HG2#
	 ) 2.1 0.6 0.6 volume=149592160.000 peak=1518 ppm1=0.790 ppm2=1.006

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HB
	 ) 6.6 5.4 5.4 volume=4676310.000 peak=1521 ppm1=6.834 ppm2=1.955

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 54 and name HG2#
	 ) 4.3 2.3 2.3 volume=16971994.000 peak=1522 ppm1=1.585 ppm2=0.839

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 90 and name HD2
	 ) 4.7 2.8 2.8 volume=26272562.000 peak=1525 ppm1=1.732 ppm2=7.091

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HD2
	 ) 3.2 1.3 1.3 volume=27590676.000 peak=1526 ppm1=0.728 ppm2=7.092

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HD2#
	 ) 3.2 1.3 1.3 volume=77290408.000 peak=1527 ppm1=2.007 ppm2=0.704

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name HA
	 ) 2.5 0.8 0.8 volume=79004656.000 peak=1528 ppm1=0.701 ppm2=4.169

assign ( resid 86 and name HA
	 )
       ( resid 14 and name HD2#
	 ) 3.0 1.1 1.1 volume=28946492.000 peak=1529 ppm1=3.695 ppm2=0.704

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HG2
	 ) 5.5 3.9 3.8 volume=9851066.000 peak=1530 ppm1=8.093 ppm2=2.544

assign ( resid 72 and name HB3
	 )
       ( resid 72 and name HA
	 ) 3.3 1.4 1.4 volume=42990264.000 peak=1532 ppm1=1.552 ppm2=3.655

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG1#
	 ) 1.9 0.5 0.5 volume=187615232.000 peak=1533 ppm1=2.224 ppm2=1.052

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HB3
	 ) 4.7 3.0 2.8 volume=23234962.000 peak=1534 ppm1=6.784 ppm2=2.018

assign ( resid 62 and name HB3
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 5.6 3.9 3.9 volume=8516218.000 peak=1536 ppm1=2.137 ppm2=1.171

assign ( resid 34 and name HA
	 )
       ( resid 34 and name HB2
	 ) 3.2 1.3 1.3 volume=60494496.000 peak=1538 ppm1=4.084 ppm2=2.275

assign ( resid 36 and name HG2
	 or resid 36 and name HG3
	 )
       ( resid 36 and name HA
	 ) 3.0 1.1 1.1 volume=132477744.000 peak=1539 ppm1=2.547 ppm2=4.353

assign ( resid 82 and name HE#
	 )
       ( resid 86 and name HB3
	 ) 6.1 4.8 4.6 volume=3979925.500 peak=1541 ppm1=6.795 ppm2=1.705

assign ( resid 64 and name HE3
	 or resid 64 and name HE2
	 )
       ( resid 64 and name HD3
	 or resid 64 and name HD2
	 ) 2.7 0.9 0.9 volume=92180552.000 peak=1543 ppm1=2.789 ppm2=1.738

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HE3
	 or resid 64 and name HE2
	 ) 4.4 2.4 2.4 volume=29293230.000 peak=1545 ppm1=2.001 ppm2=2.787

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HE2
	 ) 5.1 3.3 3.3 volume=38422216.000 peak=1546 ppm1=4.256 ppm2=2.976

assign ( resid 86 and name HA
	 )
       ( resid 90 and name HD2
	 ) 5.5 3.7 3.7 volume=4917352.000 peak=1549 ppm1=3.705 ppm2=7.094

assign ( resid 112 and name HG13
	 )
       ( resid 111 and name HB2
	 ) 5.5 3.8 3.8 volume=9065572.000 peak=1551 ppm1=1.173 ppm2=2.744

assign ( resid 112 and name HG12
	 )
       ( resid 111 and name HB2
	 ) 6.4 5.2 5.2 volume=7002319.000 peak=1552 ppm1=1.435 ppm2=2.736

assign ( resid 86 and name HG3
	 )
       ( resid 86 and name HE3
	 ) 4.2 2.2 2.2 volume=33606104.000 peak=1553 ppm1=1.160 ppm2=3.048

assign ( resid 54 and name HA
	 )
       ( resid 50 and name HE#
	 ) 6.5 5.2 5.2 volume=6251111.000 peak=1554 ppm1=3.622 ppm2=6.837

assign ( resid 53 and name HB2
	 )
       ( resid 50 and name HE#
	 ) 5.2 3.4 3.4 volume=7878185.000 peak=1555 ppm1=2.960 ppm2=6.835

assign ( resid 50 and name HD#
	 )
       ( resid 50 and name HE#
	 ) 3.0 1.1 1.1 volume=110581360.000 peak=1556 ppm1=7.058 ppm2=6.833

assign ( resid 14 and name HA
	 )
       ( resid 82 and name HE#
	 ) 6.6 5.5 5.5 volume=5748011.500 peak=1557 ppm1=4.161 ppm2=6.795

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HE#
	 ) 5.6 3.9 3.9 volume=8856994.000 peak=1558 ppm1=3.764 ppm2=6.793

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HB2
	 ) 6.1 4.7 4.7 volume=7315919.000 peak=1559 ppm1=6.783 ppm2=1.601

assign ( resid 34 and name HB3
	 )
       ( resid 34 and name HA
	 ) 1.9 0.4 4.1 volume=590909312.000 peak=1561 ppm1=2.175 ppm2=4.094

assign ( resid 118 and name HD3
	 )
       ( resid 118 and name HA
	 ) 4.0 2.0 2.0 volume=40510888.000 peak=1562 ppm1=3.793 ppm2=4.477

assign ( resid 118 and name HD2
	 )
       ( resid 118 and name HA
	 ) 3.7 1.7 1.7 volume=78983264.000 peak=1563 ppm1=3.635 ppm2=4.476

assign ( resid 117 and name HB#
	 )
       ( resid 118 and name HA
	 ) 3.7 1.7 1.7 volume=37614144.000 peak=1564 ppm1=1.370 ppm2=4.473

assign ( resid 118 and name HA
	 )
       ( resid 118 and name HG2
	 ) 5.1 3.2 3.2 volume=24755470.000 peak=1566 ppm1=4.474 ppm2=2.009

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HB2
	 ) 2.7 0.9 0.9 volume=78993880.000 peak=1569 ppm1=4.128 ppm2=2.032

assign ( resid 95 and name HG3
	 )
       ( resid 95 and name HB3
	 ) 3.3 1.4 1.4 volume=42106768.000 peak=1570 ppm1=1.416 ppm2=2.132

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HB3
	 ) 2.9 1.0 1.0 volume=44106592.000 peak=1571 ppm1=1.572 ppm2=2.131

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HB2
	 ) 3.1 1.2 1.2 volume=66800052.000 peak=1572 ppm1=1.589 ppm2=2.036

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HG3
	 ) 3.3 1.4 1.4 volume=32000964.000 peak=1573 ppm1=4.122 ppm2=1.409

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HG2
	 ) 3.5 1.5 1.5 volume=45181016.000 peak=1574 ppm1=4.120 ppm2=1.567

assign ( resid 95 and name HE3
	 )
       ( resid 95 and name HG3
	 ) 4.0 2.0 2.0 volume=31630518.000 peak=1575 ppm1=2.907 ppm2=1.409

assign ( resid 95 and name HE2
	 )
       ( resid 95 and name HG2
	 ) 3.1 1.2 1.2 volume=46266828.000 peak=1576 ppm1=2.913 ppm2=1.568

assign ( resid 90 and name HE1
	 )
       ( resid 90 and name HD2
	 ) 6.1 4.7 4.7 volume=4652442.500 peak=1580 ppm1=8.138 ppm2=7.092

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 2.7 0.9 0.9 volume=127653912.000 peak=1582 ppm1=4.112 ppm2=1.993

assign ( resid 67 and name HB3
	 )
       ( resid 67 and name HD1#
	 ) 2.3 0.6 0.6 volume=116869712.000 peak=1583 ppm1=1.599 ppm2=0.767

assign ( resid 49 and name HA
	 )
       ( resid 52 and name HB3
	 ) 2.6 0.8 0.8 volume=18813920.000 peak=1584 ppm1=3.583 ppm2=1.882

assign ( resid 107 and name HG13
	 )
       ( resid 104 and name HA
	 ) 4.2 2.2 2.2 volume=33268016.000 peak=1585 ppm1=1.363 ppm2=4.060

assign ( resid 32 and name HG
	 )
       ( resid 32 and name HD2#
	 ) 1.7 0.4 0.4 volume=307424032.000 peak=1586 ppm1=1.576 ppm2=0.869

assign ( resid 88 and name HB2
	 )
       ( resid 91 and name HG2#
	 ) 4.7 2.7 2.7 volume=36652524.000 peak=1589 ppm1=2.338 ppm2=1.294

assign ( resid 98 and name HG3
	 or resid 98 and name HG2
	 )
       ( resid 95 and name HG3
	 ) 4.8 2.9 2.9 volume=16470420.000 peak=1590 ppm1=2.628 ppm2=1.408

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.4 1.5 1.5 volume=34651416.000 peak=1591 ppm1=4.486 ppm2=2.330

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HG3
	 ) 5.7 4.1 4.1 volume=7960918.000 peak=1592 ppm1=4.314 ppm2=1.159

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HB2
	 ) 3.4 1.4 1.4 volume=48535872.000 peak=1594 ppm1=3.863 ppm2=1.886

assign ( resid 90 and name HD2
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 5.5 3.9 3.8 volume=10324478.000 peak=1595 ppm1=7.090 ppm2=2.397

assign ( resid 103 and name HA
	 )
       ( resid 103 and name HG
	 ) 4.1 2.1 2.1 volume=10331073.000 peak=1596 ppm1=4.344 ppm2=2.068

assign ( resid 28 and name HB
	 )
       ( resid 30 and name HA
	 ) 5.7 4.1 4.1 volume=11555552.000 peak=1597 ppm1=2.304 ppm2=4.275

assign ( resid 25 and name HA
	 )
       ( resid 28 and name HB
	 ) 2.9 1.0 1.0 volume=39283972.000 peak=1598 ppm1=3.900 ppm2=2.330

assign ( resid 34 and name HA
	 )
       ( resid 37 and name HD2#
	 ) 2.9 1.1 1.1 volume=121067424.000 peak=1599 ppm1=4.079 ppm2=1.018

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HD2#
	 ) 2.6 0.9 0.9 volume=58398940.000 peak=1600 ppm1=4.429 ppm2=1.018

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name HD2#
	 ) 2.1 0.5 0.5 volume=289520512.000 peak=1601 ppm1=1.914 ppm2=1.018

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HD2#
	 ) 1.9 0.5 0.5 volume=135247760.000 peak=1602 ppm1=1.769 ppm2=1.018

assign ( resid 57 and name HG2
	 )
       ( resid 97 and name HG2#
	 ) 2.9 1.1 1.1 volume=42412368.000 peak=1607 ppm1=1.449 ppm2=1.235

assign ( resid 51 and name HB2
	 )
       ( resid 51 and name HA
	 ) 2.8 1.0 1.0 volume=77451064.000 peak=1608 ppm1=2.166 ppm2=3.862

assign ( resid 96 and name HB3
	 )
       ( resid 60 and name HD1#
	 ) 2.7 0.9 0.9 volume=37452076.000 peak=1609 ppm1=1.416 ppm2=0.783

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 4.1 2.1 2.1 volume=32464716.000 peak=1611 ppm1=3.469 ppm2=0.783

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 2.9 1.0 1.0 volume=44131728.000 peak=1612 ppm1=3.881 ppm2=0.783

assign ( resid 97 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 2.9 1.1 1.1 volume=25463806.000 peak=1613 ppm1=3.686 ppm2=0.783

assign ( resid 60 and name HB
	 )
       ( resid 60 and name HD1#
	 ) 2.5 0.8 0.8 volume=51435236.000 peak=1615 ppm1=2.029 ppm2=0.783

assign ( resid 7 and name HB#
	 )
       ( resid 7 and name HA
	 ) 1.8 0.4 0.4 volume=586184960.000 peak=1616 ppm1=1.392 ppm2=4.268

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HB3
	 ) 3.4 1.4 1.4 volume=19673338.000 peak=1617 ppm1=4.318 ppm2=1.707

assign ( resid 20 and name HG3
	 or resid 20 and name HG2
	 )
       ( resid 20 and name HD2
	 ) 2.5 0.8 0.8 volume=130402720.000 peak=1618 ppm1=1.817 ppm2=3.361

assign ( resid 20 and name HB2
	 or resid 20 and name HB3
	 )
       ( resid 20 and name HD2
	 ) 3.0 1.2 1.2 volume=76099168.000 peak=1619 ppm1=2.007 ppm2=3.361

assign ( resid 11 and name HD3
	 or resid 11 and name HD2
	 )
       ( resid 11 and name HA
	 ) 4.3 2.3 2.3 volume=78744728.000 peak=1620 ppm1=3.213 ppm2=4.350

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 5.1 3.2 3.2 volume=20725284.000 peak=1622 ppm1=3.649 ppm2=1.584

assign ( resid 67 and name HB2
	 )
       ( resid 67 and name HD2#
	 ) 2.4 0.7 0.7 volume=85127552.000 peak=1623 ppm1=1.892 ppm2=0.719

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD2#
	 ) 2.6 0.9 0.9 volume=65136864.000 peak=1624 ppm1=1.602 ppm2=0.704

assign ( resid 49 and name HA
	 )
       ( resid 49 and name HD1#
	 ) 4.1 2.1 2.1 volume=37511032.000 peak=1625 ppm1=3.584 ppm2=0.847

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HA
	 ) 3.2 1.3 1.3 volume=34875628.000 peak=1626 ppm1=2.130 ppm2=3.582

assign ( resid 49 and name HG2#
	 )
       ( resid 49 and name HA
	 ) 2.6 0.9 0.9 volume=62150016.000 peak=1628 ppm1=0.969 ppm2=3.582

assign ( resid 45 and name HB2
	 or resid 45 and name HB3
	 )
       ( resid 40 and name HA
	 ) 2.9 1.0 1.0 volume=85064016.000 peak=1630 ppm1=2.056 ppm2=4.127

assign ( resid 73 and name HB#
	 )
       ( resid 71 and name HB3
	 ) 5.1 3.3 3.3 volume=14001847.000 peak=1631 ppm1=1.356 ppm2=3.988

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HD1#
	 ) 2.0 0.5 0.5 volume=156285456.000 peak=1632 ppm1=1.653 ppm2=0.939

assign ( resid 107 and name HB
	 )
       ( resid 107 and name HD1#
	 ) 2.4 0.7 0.7 volume=113993488.000 peak=1633 ppm1=2.020 ppm2=0.939

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HD1#
	 ) 2.1 0.6 0.6 volume=124295960.000 peak=1634 ppm1=1.360 ppm2=0.939

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HD1#
	 ) 3.5 1.5 1.5 volume=97935568.000 peak=1635 ppm1=4.126 ppm2=0.939

assign ( resid 50 and name HB3
	 )
       ( resid 107 and name HD1#
	 ) 3.9 1.9 1.9 volume=52060588.000 peak=1636 ppm1=3.263 ppm2=0.939

assign ( resid 34 and name HB2
	 )
       ( resid 49 and name HD1#
	 ) 3.2 1.2 1.2 volume=55074088.000 peak=1639 ppm1=2.272 ppm2=0.846

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HD1#
	 ) 2.5 0.8 0.8 volume=84318064.000 peak=1640 ppm1=2.140 ppm2=0.847

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HG2#
	 ) 2.1 0.5 0.5 volume=113141344.000 peak=1643 ppm1=2.128 ppm2=0.903

assign ( resid 52 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 2.2 0.6 3.8 volume=294004832.000 peak=1644 ppm1=1.909 ppm2=0.896

assign ( resid 19 and name HB2
	 or resid 19 and name HB3
	 )
       ( resid 16 and name HA
	 ) 2.9 1.0 1.0 volume=92048768.000 peak=1645 ppm1=1.987 ppm2=4.122

assign ( resid 86 and name HG2
	 )
       ( resid 67 and name HD2#
	 ) 3.4 1.4 1.4 volume=22979846.000 peak=1646 ppm1=1.321 ppm2=0.719

assign ( resid 40 and name HB#
	 )
       ( resid 37 and name HD2#
	 ) 4.3 2.3 2.3 volume=24184936.000 peak=1650 ppm1=1.488 ppm2=1.019

assign ( resid 64 and name HB2
	 )
       ( resid 61 and name HA
	 ) 2.5 0.8 0.8 volume=104754968.000 peak=1651 ppm1=1.997 ppm2=4.353

assign ( resid 34 and name HB2
	 )
       ( resid 37 and name HD2#
	 ) 4.5 2.5 2.5 volume=62752576.000 peak=1652 ppm1=2.279 ppm2=1.018

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 49 and name HD1#
	 ) 3.0 1.1 1.1 volume=95563184.000 peak=1655 ppm1=3.978 ppm2=0.847

assign ( resid 104 and name HB#
	 )
       ( resid 50 and name HA
	 ) 3.6 1.6 1.6 volume=20886658.000 peak=1656 ppm1=1.560 ppm2=4.016

assign ( resid 108 and name HA
	 )
       ( resid 107 and name HG2#
	 ) 3.0 1.1 1.1 volume=22992794.000 peak=1657 ppm1=4.272 ppm2=0.970

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 2.9 1.0 1.0 volume=80414768.000 peak=1658 ppm1=3.993 ppm2=0.901

assign ( resid 50 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 4.8 2.8 2.8 volume=24556756.000 peak=1659 ppm1=3.254 ppm2=0.903

assign ( resid 53 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 3.1 1.2 1.2 volume=22178982.000 peak=1660 ppm1=3.171 ppm2=0.903

assign ( resid 107 and name HD1#
	 )
       ( resid 50 and name HA
	 ) 2.8 1.0 1.0 volume=72388784.000 peak=1661 ppm1=0.951 ppm2=4.019

assign ( resid 40 and name HB#
	 )
       ( resid 49 and name HD1#
	 ) 1.7 0.4 4.3 volume=193569344.000 peak=1663 ppm1=1.470 ppm2=0.846

assign ( resid 100 and name HB3
	 )
       ( resid 60 and name HD1#
	 ) 2.5 0.8 3.5 volume=101215488.000 peak=1664 ppm1=1.900 ppm2=0.783

assign ( resid 49 and name HD1#
	 )
       ( resid 35 and name HA
	 ) 2.4 0.7 0.7 volume=108119656.000 peak=1666 ppm1=0.854 ppm2=4.121

assign ( resid 13 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.6 0.9 0.9 volume=89044768.000 peak=1667 ppm1=4.352 ppm2=1.481

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.0 0.5 0.5 volume=255320096.000 peak=1668 ppm1=4.122 ppm2=1.480

assign ( resid 107 and name HD1#
	 )
       ( resid 104 and name HA
	 ) 2.5 0.8 0.8 volume=88278224.000 peak=1670 ppm1=0.958 ppm2=4.059

assign ( resid 79 and name HG1#
	 )
       ( resid 80 and name HB#
	 ) 3.5 1.6 1.6 volume=25433092.000 peak=1671 ppm1=1.053 ppm2=1.422

assign ( resid 67 and name HB2
	 )
       ( resid 67 and name HD1#
	 ) 3.1 1.2 1.2 volume=67256776.000 peak=1672 ppm1=1.886 ppm2=0.767

assign ( resid 68 and name HA
	 )
       ( resid 67 and name HD1#
	 ) 4.1 2.1 2.1 volume=22548220.000 peak=1673 ppm1=4.184 ppm2=0.766

assign ( resid 86 and name HB2
	 )
       ( resid 14 and name HD2#
	 ) 2.3 0.7 0.7 volume=87784976.000 peak=1674 ppm1=1.735 ppm2=0.703

assign ( resid 50 and name HE#
	 )
       ( resid 108 and name HB3
	 ) 2.0 0.5 4.0 volume=9288688.000 peak=1675 ppm1=6.841 ppm2=3.925

assign ( resid 50 and name HE#
	 )
       ( resid 108 and name HB2
	 ) 2.1 0.6 3.9 volume=9316212.000 peak=1676 ppm1=6.839 ppm2=3.849

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name HD2#
	 ) 2.2 0.6 0.6 volume=167749024.000 peak=1677 ppm1=1.760 ppm2=0.889

assign ( resid 107 and name HB
	 )
       ( resid 104 and name HA
	 ) 3.1 1.2 1.2 volume=38598144.000 peak=1678 ppm1=2.019 ppm2=4.064

assign ( resid 94 and name HA
	 )
       ( resid 96 and name HB3
	 ) 5.2 3.4 3.4 volume=19827640.000 peak=1679 ppm1=4.475 ppm2=1.348

assign ( resid 95 and name HA
	 )
       ( resid 96 and name HB3
	 ) 5.1 3.3 3.3 volume=22467028.000 peak=1680 ppm1=4.118 ppm2=1.345

assign ( resid 34 and name HG2
	 or resid 34 and name HG3
	 )
       ( resid 37 and name HD2#
	 ) 4.1 2.1 2.1 volume=38921136.000 peak=1681 ppm1=2.474 ppm2=1.017

assign ( resid 86 and name HG3
	 )
       ( resid 14 and name HD1#
	 ) 4.8 2.8 2.8 volume=16917756.000 peak=1682 ppm1=1.162 ppm2=0.637

assign ( resid 17 and name HD2#
	 )
       ( resid 13 and name HA
	 ) 4.4 2.4 2.4 volume=12787822.000 peak=1683 ppm1=0.883 ppm2=4.354

assign ( resid 90 and name HB3
	 )
       ( resid 87 and name HA
	 ) 3.8 1.8 1.8 volume=113916640.000 peak=1684 ppm1=3.308 ppm2=4.177

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HB
	 ) 2.6 0.8 0.8 volume=142120624.000 peak=1685 ppm1=4.074 ppm2=4.286

assign ( resid 93 and name HB2
	 )
       ( resid 90 and name HA
	 ) 3.5 1.5 1.5 volume=28495348.000 peak=1686 ppm1=1.293 ppm2=3.999

assign ( resid 86 and name HG3
	 )
       ( resid 14 and name HD2#
	 ) 4.2 2.3 2.3 volume=21666842.000 peak=1687 ppm1=1.157 ppm2=0.705

assign ( resid 86 and name HG3
	 )
       ( resid 67 and name HD1#
	 ) 3.9 1.9 1.9 volume=25653952.000 peak=1688 ppm1=1.163 ppm2=0.770

assign ( resid 86 and name HG2
	 )
       ( resid 67 and name HD1#
	 ) 2.9 1.0 1.0 volume=27399754.000 peak=1689 ppm1=1.328 ppm2=0.764

assign ( resid 64 and name HD3
	 or resid 64 and name HD2
	 )
       ( resid 61 and name HA
	 ) 3.2 1.3 1.3 volume=89620592.000 peak=1690 ppm1=1.734 ppm2=4.357

assign ( resid 60 and name HD1#
	 )
       ( resid 97 and name HG2#
	 ) 3.5 1.5 1.5 volume=21811686.000 peak=1691 ppm1=0.789 ppm2=1.235

assign ( resid 60 and name HG13
	 or resid 60 and name HG12
	 )
       ( resid 60 and name HD1#
	 ) 2.4 0.7 0.7 volume=53628632.000 peak=1692 ppm1=1.119 ppm2=0.783

assign ( resid 89 and name HB3
	 )
       ( resid 86 and name HA
	 ) 3.9 1.9 1.9 volume=24965652.000 peak=1693 ppm1=1.982 ppm2=3.694

assign ( resid 43 and name HG3
	 )
       ( resid 43 and name HA
	 ) 3.4 1.4 1.4 volume=150655392.000 peak=1694 ppm1=2.013 ppm2=4.159

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HG2#
	 ) 1.7 0.3 0.3 volume=250518320.000 peak=1695 ppm1=0.937 ppm2=1.125

assign ( resid 86 and name HB3
	 )
       ( resid 14 and name HD1#
	 ) 3.1 1.2 1.2 volume=79719848.000 peak=1697 ppm1=1.716 ppm2=0.636

assign ( resid 56 and name HD2#
	 )
       ( resid 27 and name HB3
	 ) 3.3 1.4 1.4 volume=37601072.000 peak=1699 ppm1=0.849 ppm2=2.154

assign ( resid 28 and name HG2#
	 )
       ( resid 96 and name HD1#
	 ) 2.3 0.7 0.7 volume=42958408.000 peak=1700 ppm1=1.120 ppm2=0.780

assign ( resid 58 and name HG2
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=24009768.000 peak=1701 ppm1=2.401 ppm2=0.837

assign ( resid 54 and name HG13
	 )
       ( resid 54 and name HG12
	 ) 1.9 0.5 0.5 volume=107016768.000 peak=1703 ppm1=1.063 ppm2=1.231

assign ( resid 96 and name HB2
	 )
       ( resid 28 and name HG2#
	 ) 3.5 1.5 1.5 volume=34918652.000 peak=1704 ppm1=2.107 ppm2=1.126

assign ( resid 100 and name HD2#
	 )
       ( resid 96 and name HA
	 ) 3.0 1.1 3.0 volume=100266872.000 peak=1705 ppm1=0.937 ppm2=4.290

assign ( resid 50 and name HE#
	 )
       ( resid 104 and name HB#
	 ) 2.1 0.5 0.5 volume=39603948.000 peak=1706 ppm1=6.838 ppm2=1.560

assign ( resid 67 and name HG
	 )
       ( resid 90 and name HE1
	 ) 5.1 3.3 3.3 volume=8753328.000 peak=1708 ppm1=1.611 ppm2=8.136

assign ( resid 67 and name HG
	 )
       ( resid 90 and name HD2
	 ) 4.5 2.5 2.5 volume=9167482.000 peak=1709 ppm1=1.616 ppm2=7.089

assign ( resid 86 and name HE2
	 )
       ( resid 14 and name HD1#
	 ) 4.1 2.1 2.1 volume=13571493.000 peak=1710 ppm1=2.959 ppm2=0.636

assign ( resid 85 and name HB3
	 )
       ( resid 14 and name HD1#
	 ) 3.4 1.4 1.4 volume=19796660.000 peak=1711 ppm1=2.161 ppm2=0.637

assign ( resid 25 and name HA
	 )
       ( resid 96 and name HD1#
	 ) 2.9 1.1 1.1 volume=31780298.000 peak=1713 ppm1=3.957 ppm2=0.780

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 70 and name HD2#
	 ) 3.2 1.3 1.3 volume=35868560.000 peak=1714 ppm1=2.353 ppm2=0.903

assign ( resid 31 and name HD1#
	 )
       ( resid 53 and name HA
	 ) 2.6 0.9 0.9 volume=69210568.000 peak=1715 ppm1=1.005 ppm2=3.911

assign ( resid 86 and name HE3
	 )
       ( resid 14 and name HD2#
	 ) 4.0 2.0 2.0 volume=14842733.000 peak=1716 ppm1=3.080 ppm2=0.705

assign ( resid 96 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.8 1.8 1.8 volume=20055198.000 peak=1717 ppm1=4.287 ppm2=1.125

assign ( resid 96 and name HA
	 )
       ( resid 96 and name HD1#
	 ) 3.8 1.8 1.8 volume=36586356.000 peak=1718 ppm1=4.288 ppm2=0.780

assign ( resid 60 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 3.2 1.3 1.3 volume=35356120.000 peak=1720 ppm1=3.470 ppm2=0.826

assign ( resid 48 and name HE1
	 )
       ( resid 48 and name HD2
	 ) 6.2 4.9 4.9 volume=4885457.000 peak=1721 ppm1=8.240 ppm2=7.196

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 103 and name HD1#
	 ) 2.9 1.0 1.0 volume=80830880.000 peak=1722 ppm1=3.976 ppm2=1.004

assign ( resid 86 and name HA
	 )
       ( resid 14 and name HD1#
	 ) 3.2 1.3 1.3 volume=25185000.000 peak=1723 ppm1=3.704 ppm2=0.637

assign ( resid 17 and name HG
	 )
       ( resid 63 and name HB2
	 ) 4.3 2.3 2.3 volume=8693381.000 peak=1724 ppm1=1.734 ppm2=2.895

assign ( resid 103 and name HD2#
	 )
       ( resid 106 and name HG2#
	 ) 3.0 1.2 1.2 volume=34191348.000 peak=1725 ppm1=0.864 ppm2=1.305

assign ( resid 64 and name H
	 )
       ( resid 61 and name HB3
	 ) 5.0 3.1 3.1 volume=21303.500 peak=1729 ppm1=9.033 ppm2=2.632

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HB2
	 ) 3.1 1.2 1.2 volume=166494.875 peak=1731 ppm1=7.075 ppm2=3.261

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HB3
	 ) 3.3 1.3 1.3 volume=119664.875 peak=1732 ppm1=7.079 ppm2=2.966

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HD#
	 ) 3.5 1.6 1.5 volume=85701.125 peak=1733 ppm1=3.140 ppm2=7.071

assign ( resid 45 and name H
	 )
       ( resid 46 and name H
	 ) 2.5 0.8 0.8 volume=60024.875 peak=1742 ppm1=7.749 ppm2=8.535

assign ( resid 41 and name H
	 )
       ( resid 40 and name H
	 ) 2.4 0.7 0.7 volume=67346.750 peak=1746 ppm1=7.529 ppm2=7.820

assign ( resid 101 and name H
	 )
       ( resid 100 and name H
	 ) 2.6 0.8 0.8 volume=37341.625 peak=1752 ppm1=8.566 ppm2=8.295

assign ( resid 42 and name H
	 )
       ( resid 41 and name H
	 ) 3.0 1.1 1.1 volume=51602.500 peak=1754 ppm1=7.867 ppm2=7.532

assign ( resid 91 and name H
	 )
       ( resid 90 and name H
	 ) 2.9 1.0 1.0 volume=54381.750 peak=1760 ppm1=8.666 ppm2=8.305

assign ( resid 104 and name H
	 )
       ( resid 105 and name H
	 ) 2.7 0.9 0.9 volume=39210.500 peak=1763 ppm1=8.534 ppm2=7.963

assign ( resid 101 and name H
	 )
       ( resid 102 and name H
	 ) 2.7 0.9 0.9 volume=47742.500 peak=1764 ppm1=8.568 ppm2=8.001

assign ( resid 20 and name H
	 )
       ( resid 21 and name H
	 ) 2.8 1.0 1.0 volume=36063.000 peak=1766 ppm1=7.926 ppm2=9.052

assign ( resid 22 and name H
	 )
       ( resid 21 and name H
	 ) 2.9 1.0 1.0 volume=39367.125 peak=1767 ppm1=8.003 ppm2=9.023

assign ( resid 92 and name H
	 )
       ( resid 91 and name H
	 ) 3.0 1.1 1.1 volume=29020.375 peak=1768 ppm1=7.740 ppm2=8.696

assign ( resid 40 and name H
	 )
       ( resid 39 and name H
	 ) 2.5 0.8 0.8 volume=39047.000 peak=1776 ppm1=7.793 ppm2=8.800

assign ( resid 64 and name H
	 )
       ( resid 64 and name HA
	 ) 3.0 1.1 1.1 volume=33549.250 peak=1777 ppm1=9.018 ppm2=3.853

assign ( resid 44 and name H
	 )
       ( resid 44 and name HA
	 ) 2.8 1.0 1.0 volume=60747.875 peak=1778 ppm1=9.000 ppm2=4.518

assign ( resid 82 and name HD#
	 )
       ( resid 83 and name HA
	 ) 4.0 2.1 2.0 volume=46518.000 peak=1779 ppm1=7.079 ppm2=4.326

assign ( resid 113 and name HG2#
	 )
       ( resid 113 and name HB
	 ) 1.8 0.4 0.4 volume=153359.500 peak=1787 ppm1=1.190 ppm2=4.198

assign ( resid 113 and name HG2#
	 )
       ( resid 113 and name HA
	 ) 2.7 0.9 0.9 volume=67270.625 peak=1788 ppm1=1.192 ppm2=4.336

assign ( resid 102 and name H
	 )
       ( resid 103 and name H
	 ) 2.8 1.0 1.0 volume=49034.750 peak=1795 ppm1=8.004 ppm2=7.543

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB2
	 ) 3.8 1.8 1.8 volume=38340.000 peak=1796 ppm1=9.001 ppm2=2.810

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB3
	 ) 2.6 0.9 0.9 volume=41521.750 peak=1797 ppm1=8.998 ppm2=3.014

assign ( resid 83 and name H
	 )
       ( resid 82 and name HD#
	 ) 4.5 2.7 2.5 volume=23105.125 peak=1798 ppm1=8.842 ppm2=7.084

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB2
	 ) 2.9 1.1 1.1 volume=17513.625 peak=1800 ppm1=8.832 ppm2=3.252

assign ( resid 97 and name HB
	 )
       ( resid 97 and name HA
	 ) 3.1 1.2 1.2 volume=28513.000 peak=1806 ppm1=4.540 ppm2=3.685

assign ( resid 96 and name HB3
	 )
       ( resid 96 and name HA
	 ) 2.3 0.7 0.7 volume=162855.125 peak=1811 ppm1=1.392 ppm2=4.277

assign ( resid 77 and name HB#
	 )
       ( resid 77 and name HA
	 ) 1.9 0.5 0.5 volume=222569.750 peak=1812 ppm1=1.341 ppm2=4.711

assign ( resid 44 and name HB3
	 )
       ( resid 44 and name HA
	 ) 3.2 1.3 1.3 volume=55654.875 peak=1814 ppm1=3.007 ppm2=4.518

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HA
	 ) 3.8 1.8 1.8 volume=21402.125 peak=1815 ppm1=2.746 ppm2=5.031

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HA
	 ) 3.4 1.5 1.5 volume=26052.125 peak=1816 ppm1=2.859 ppm2=5.026

assign ( resid 73 and name HB#
	 )
       ( resid 73 and name HA
	 ) 2.0 0.5 0.5 volume=199864.750 peak=1823 ppm1=1.361 ppm2=4.147

assign ( resid 118 and name HD2
	 )
       ( resid 117 and name HA
	 ) 3.4 1.4 1.4 volume=33985.375 peak=1824 ppm1=3.660 ppm2=4.612

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HE22
	 ) 1.5 0.3 0.3 volume=386328.500 peak=1828 ppm1=8.062 ppm2=6.913

assign ( resid 64 and name H
	 )
       ( resid 61 and name HA
	 ) 3.5 1.5 1.5 volume=22213.750 peak=1831 ppm1=9.020 ppm2=4.348

assign ( resid 28 and name H
	 )
       ( resid 28 and name HA
	 ) 2.9 1.1 1.1 volume=24916.375 peak=1832 ppm1=8.826 ppm2=3.490

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB3
	 ) 4.4 2.4 2.4 volume=32129.375 peak=1834 ppm1=8.828 ppm2=2.968

assign ( resid 14 and name HG
	 )
       ( resid 14 and name HD1#
	 ) 2.0 0.5 0.5 volume=79386.375 peak=1840 ppm1=1.443 ppm2=0.637

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 3.5 1.6 1.6 volume=64872.750 peak=1841 ppm1=3.855 ppm2=0.719

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HA
	 ) 2.9 1.0 1.0 volume=55997.375 peak=1842 ppm1=0.726 ppm2=4.001

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.5 1.5 1.5 volume=53443.625 peak=1843 ppm1=7.613 ppm2=0.836

assign ( resid 41 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 2.6 0.8 0.8 volume=125050.500 peak=1846 ppm1=7.531 ppm2=1.770

assign ( resid 10 and name H
	 )
       ( resid 10 and name HG3
	 or resid 10 and name HG2
	 ) 4.6 2.7 2.7 volume=32667.875 peak=1847 ppm1=8.417 ppm2=2.365

assign ( resid 40 and name H
	 )
       ( resid 40 and name HB#
	 ) 1.9 0.5 0.5 volume=155449.875 peak=1851 ppm1=7.794 ppm2=1.477

assign ( resid 118 and name HD3
	 )
       ( resid 117 and name HA
	 ) 3.0 1.2 1.2 volume=46261.750 peak=1852 ppm1=3.799 ppm2=4.613

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD1#
	 ) 4.1 2.1 2.1 volume=28908.875 peak=1853 ppm1=7.440 ppm2=0.924

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.8 1.8 1.8 volume=34752.250 peak=1854 ppm1=7.439 ppm2=1.011

assign ( resid 112 and name H
	 )
       ( resid 111 and name HA
	 ) 2.6 0.8 0.8 volume=138358.875 peak=1856 ppm1=8.091 ppm2=4.707