*HEADER    TOXIN                                   09-JUL-12   4B19
*TITLE     S. AUREUS PEPA1 NMR STRUCTURE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PEPA1;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 2-31;
*COMPND   5 OTHER_DETAILS: FULL TOXIN OF THE TYPE I T/A SYSTEM
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;
*SOURCE   4 ORGANISM_TAXID: 1280
*KEYWDS    TOXIN, TOXIN APOPTOTIC PEPTIDE, APOPTOSIS
*EXPDTA    SOLUTION NMR
*AUTHOR    N.SAYED,S.NONIN-LECOMTE,S.RETY,B.FELDEN
*REVDAT   1   09-JUL-12 4B19    0




assign ( resid 26 and name HE
	 )
       ( resid 26 and name HD3
	 ) 5.5 2.5 0.5 volume=0.021 peak=169 ppm1=7.270 ppm2=2.968

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB2
	 ) 4.5 2.0 0.0 volume=0.040 peak=91 ppm1=7.929 ppm2=1.898

assign ( resid 26 and name HD2
	 )
       ( resid 26 and name HB3
	 ) 5.5 2.5 0.5 volume=0.024 peak=132 ppm1=2.880 ppm2=1.778

assign ( resid 22 and name HD#
	 )
       ( resid 22 and name HA
	 ) 4.5 2.0 0.0 volume=0.147 peak=183 ppm1=6.581 ppm2=4.141

assign ( resid 20 and name HD#
	 )
       ( resid 16 and name HB#
	 ) 4.5 2.0 0.0 volume=0.056 peak=187 ppm1=7.577 ppm2=1.814

assign ( resid 17 and name HG2#
	 )
       ( resid 17 and name HA
	 ) 3.2 1.5 0.1 volume=0.208 peak=186 ppm1=1.200 ppm2=4.031

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB2
	 ) 3.2 1.5 0.1 volume=0.433 peak=106 ppm1=8.876 ppm2=1.835

assign ( resid 26 and name HB2
	 )
       ( resid 26 and name HA
	 ) 4.5 2.0 0.0 volume=0.116 peak=144 ppm1=1.897 ppm2=4.108

assign ( resid 23 and name H
	 )
       ( resid 23 and name HA
	 ) 3.2 1.5 0.1 volume=0.232 peak=195 ppm1=8.404 ppm2=4.129

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG12
	 ) 4.5 2.0 0.0 volume=0.066 peak=32 ppm1=4.248 ppm2=1.395

assign ( resid 23 and name H
	 )
       ( resid 22 and name HB3
	 or resid 22 and name HB2
	 ) 4.5 2.0 0.0 volume=0.167 peak=74 ppm1=8.405 ppm2=3.211

assign ( resid 25 and name HA
	 )
       ( resid 26 and name HB3
	 ) 5.5 2.5 0.5 volume=0.016 peak=297 ppm1=4.265 ppm2=2.894

assign ( resid 13 and name H
	 )
       ( resid 13 and name HB3
	 ) 4.5 2.0 0.0 volume=0.078 peak=163 ppm1=8.512 ppm2=4.060

assign ( resid 25 and name H
	 )
       ( resid 24 and name H
	 ) 4.5 2.0 0.0 volume=0.173 peak=30 ppm1=8.048 ppm2=8.876

assign ( resid 11 and name H
	 )
       ( resid 10 and name HD2
	 ) 5.5 2.5 0.5 volume=0.021 peak=222 ppm1=7.446 ppm2=3.809

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB3
	 ) 4.5 2.0 0.0 volume=0.081 peak=75 ppm1=7.930 ppm2=1.791

assign ( resid 20 and name H
	 )
       ( resid 19 and name H
	 ) 3.2 1.5 0.1 volume=0.321 peak=136 ppm1=9.109 ppm2=8.845

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG13
	 ) 4.5 2.0 0.0 volume=0.040 peak=36 ppm1=4.247 ppm2=1.818

assign ( resid 16 and name H
	 )
       ( resid 12 and name HG2#
	 ) 5.5 2.5 0.5 volume=0.018 peak=142 ppm1=8.572 ppm2=1.143

assign ( resid 19 and name H
	 )
       ( resid 18 and name H
	 ) 4.5 2.0 0.0 volume=0.168 peak=202 ppm1=8.839 ppm2=8.624

assign ( resid 13 and name HB3
	 )
       ( resid 10 and name HA
	 ) 6.0 0.0 6.0 volume=0.005 peak=209 ppm1=4.055 ppm2=4.489

assign ( resid 22 and name HE#
	 )
       ( resid 26 and name HG3
	 or resid 26 and name HG2
	 ) 4.5 2.0 0.0 volume=0.030 peak=118 ppm1=6.395 ppm2=1.440

assign ( resid 9 and name HA
	 )
       ( resid 9 and name HB#
	 ) 3.2 1.5 0.1 volume=0.262 peak=58 ppm1=4.390 ppm2=1.662

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HG12
	 ) 4.5 2.0 0.0 volume=0.095 peak=122 ppm1=2.220 ppm2=2.111

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB
	 ) 4.5 2.0 0.0 volume=0.076 peak=273 ppm1=3.810 ppm2=2.281

assign ( resid 27 and name H
	 )
       ( resid 26 and name HA
	 ) 4.5 2.0 0.0 volume=0.037 peak=95 ppm1=8.166 ppm2=4.107

assign ( resid 18 and name H
	 )
       ( resid 18 and name HA
	 ) 3.2 1.5 0.1 volume=0.274 peak=11 ppm1=8.625 ppm2=4.296

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 4.5 2.0 0.0 volume=0.031 peak=220 ppm1=8.061 ppm2=4.531

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 4.5 2.0 0.0 volume=0.035 peak=240 ppm1=7.962 ppm2=3.813

assign ( resid 13 and name H
	 )
       ( resid 12 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.039 peak=103 ppm1=8.513 ppm2=1.139

assign ( resid 21 and name HB3
	 )
       ( resid 30 and name HD3
	 ) 4.5 2.0 0.0 volume=0.078 peak=257 ppm1=4.127 ppm2=1.793

assign ( resid 2 and name H
	 )
       ( resid 2 and name HB3
	 ) 4.5 2.0 0.0 volume=0.031 peak=173 ppm1=9.112 ppm2=1.961

assign ( resid 8 and name H
	 )
       ( resid 8 and name HB
	 ) 4.5 2.0 0.0 volume=0.062 peak=40 ppm1=7.863 ppm2=1.955

assign ( resid 8 and name HG12
	 )
       ( resid 8 and name HG13
	 ) 2.5 0.8 0.2 volume=1.000 peak=100 ppm1=1.464 ppm2=1.652

assign ( resid 9 and name H
	 )
       ( resid 8 and name HD1#
	 ) 5.5 2.5 0.5 volume=0.024 peak=300 ppm1=8.434 ppm2=1.055

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA2
	 ) 4.5 2.0 0.0 volume=0.127 peak=198 ppm1=8.447 ppm2=4.092

assign ( resid 30 and name HG3
	 or resid 30 and name HD3
	 )
       ( resid 30 and name HG2
	 or resid 30 and name HD3
	 ) 2.5 0.8 0.2 volume=1.031 peak=236 ppm1=1.789 ppm2=1.626

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 3.2 1.5 0.1 volume=0.301 peak=248 ppm1=8.567 ppm2=4.349

assign ( resid 25 and name HA
	 )
       ( resid 25 and name HB3
	 ) 3.2 1.5 0.1 volume=0.516 peak=266 ppm1=4.266 ppm2=4.080

assign ( resid 23 and name H
	 )
       ( resid 19 and name HA
	 ) 5.5 2.5 0.5 volume=0.011 peak=281 ppm1=8.405 ppm2=4.436

assign ( resid 25 and name H
	 )
       ( resid 25 and name HA
	 ) 4.5 2.0 0.0 volume=0.176 peak=192 ppm1=8.046 ppm2=4.264

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB
	 ) 3.2 1.5 0.1 volume=0.382 peak=15 ppm1=8.613 ppm2=2.214

assign ( resid 25 and name H
	 )
       ( resid 24 and name HA
	 ) 5.5 2.5 0.5 volume=0.028 peak=63 ppm1=8.047 ppm2=3.979

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HB3
	 ) 3.2 1.5 0.1 volume=0.207 peak=276 ppm1=3.981 ppm2=1.841

assign ( resid 19 and name H
	 )
       ( resid 18 and name HA
	 ) 4.5 2.0 0.0 volume=0.108 peak=293 ppm1=8.838 ppm2=4.298

assign ( resid 17 and name H
	 )
       ( resid 17 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.047 peak=115 ppm1=8.611 ppm2=1.073

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB
	 ) 4.5 2.0 0.0 volume=0.062 peak=177 ppm1=7.862 ppm2=2.161

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.189 peak=119 ppm1=3.809 ppm2=1.066

assign ( resid 24 and name HA
	 )
       ( resid 27 and name HB2
	 ) 4.5 2.0 0.0 volume=0.059 peak=5 ppm1=3.985 ppm2=1.974

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HD2
	 ) 4.5 2.0 0.0 volume=0.050 peak=124 ppm1=4.143 ppm2=3.154

assign ( resid 26 and name HG3
	 )
       ( resid 26 and name HA
	 ) 4.5 2.0 0.0 volume=0.079 peak=167 ppm1=3.037 ppm2=4.864

assign ( resid 13 and name HB3
	 )
       ( resid 13 and name HA
	 ) 4.5 2.0 0.0 volume=0.183 peak=45 ppm1=4.056 ppm2=4.351

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HB
	 ) 4.5 2.0 0.0 volume=0.056 peak=85 ppm1=4.242 ppm2=2.502

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HB3
	 ) 4.5 2.0 0.0 volume=0.111 peak=20 ppm1=4.332 ppm2=2.964

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 5.5 2.5 0.5 volume=0.015 peak=217 ppm1=8.063 ppm2=3.818

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HB
	 ) 3.2 1.5 0.1 volume=0.238 peak=294 ppm1=3.972 ppm2=2.502

assign ( resid 10 and name HB3
	 )
       ( resid 10 and name HA
	 ) 5.5 2.5 0.5 volume=0.018 peak=242 ppm1=2.400 ppm2=4.491

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HG13
	 ) 4.5 2.0 0.0 volume=0.060 peak=72 ppm1=4.021 ppm2=1.718

assign ( resid 26 and name HE
	 )
       ( resid 26 and name HG3
	 or resid 26 and name HG2
	 ) 5.5 2.5 0.5 volume=0.016 peak=164 ppm1=7.267 ppm2=1.423

assign ( resid 21 and name H
	 )
       ( resid 17 and name HG2#
	 ) 5.5 2.5 0.5 volume=0.022 peak=249 ppm1=8.851 ppm2=1.200

assign ( resid 23 and name HD1
	 )
       ( resid 23 and name H
	 ) 4.5 2.0 0.0 volume=0.072 peak=295 ppm1=6.799 ppm2=8.401

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB3
	 ) 4.5 2.0 0.0 volume=0.167 peak=223 ppm1=8.046 ppm2=4.092

assign ( resid 27 and name HB2
	 )
       ( resid 27 and name HD3
	 or resid 27 and name HD2
	 ) 5.5 2.5 0.5 volume=0.014 peak=87 ppm1=1.971 ppm2=3.146

assign ( resid 30 and name H
	 )
       ( resid 29 and name HA
	 ) 4.5 2.0 0.0 volume=0.130 peak=286 ppm1=8.140 ppm2=4.418

assign ( resid 20 and name H
	 )
       ( resid 20 and name HB3
	 ) 3.2 1.5 0.1 volume=0.279 peak=278 ppm1=9.111 ppm2=3.530

assign ( resid 5 and name H
	 )
       ( resid 4 and name HA
	 ) 5.5 2.5 0.5 volume=0.021 peak=288 ppm1=7.957 ppm2=4.519

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB2
	 ) 4.5 2.0 0.0 volume=0.051 peak=128 ppm1=7.965 ppm2=2.896

assign ( resid 4 and name H
	 )
       ( resid 4 and name HA
	 ) 5.5 2.5 0.5 volume=0.028 peak=28 ppm1=8.396 ppm2=4.506

assign ( resid 17 and name HG12
	 )
       ( resid 17 and name HD1#
	 ) 3.2 1.5 0.1 volume=0.245 peak=312 ppm1=2.114 ppm2=1.072

assign ( resid 19 and name HZ
	 )
       ( resid 19 and name HE#
	 ) 2.5 0.8 0.2 volume=1.297 peak=88 ppm1=7.347 ppm2=7.420

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.2 1.5 0.1 volume=0.439 peak=112 ppm1=8.568 ppm2=1.815

assign ( resid 22 and name H
	 )
       ( resid 22 and name HA
	 ) 3.2 1.5 0.1 volume=0.279 peak=268 ppm1=8.519 ppm2=4.141

assign ( resid 12 and name H
	 )
       ( resid 12 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.041 peak=234 ppm1=8.290 ppm2=1.046

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 4.5 2.0 0.0 volume=0.043 peak=213 ppm1=7.904 ppm2=4.249

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HB3
	 or resid 13 and name HB2
	 ) 4.5 2.0 0.0 volume=0.151 peak=70 ppm1=4.351 ppm2=4.047

assign ( resid 19 and name HE#
	 )
       ( resid 19 and name HD#
	 ) 2.5 0.8 0.2 volume=1.627 peak=265 ppm1=7.412 ppm2=7.254

assign ( resid 23 and name HD1
	 )
       ( resid 23 and name HE1
	 ) 4.5 2.0 0.0 volume=0.115 peak=147 ppm1=6.796 ppm2=9.633

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB2
	 ) 4.5 2.0 0.0 volume=0.087 peak=225 ppm1=8.854 ppm2=4.144

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB3
	 ) 3.2 1.5 0.1 volume=0.222 peak=51 ppm1=8.404 ppm2=3.127

assign ( resid 23 and name H
	 )
       ( resid 22 and name HD#
	 ) 4.5 2.0 0.0 volume=0.040 peak=211 ppm1=8.403 ppm2=6.585

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB
	 ) 4.5 2.0 0.0 volume=0.053 peak=245 ppm1=7.903 ppm2=2.161

assign ( resid 12 and name H
	 )
       ( resid 11 and name HB
	 ) 4.5 2.0 0.0 volume=0.131 peak=244 ppm1=8.289 ppm2=2.499

assign ( resid 10 and name HB3
	 )
       ( resid 10 and name HB2
	 ) 4.5 2.0 0.0 volume=0.155 peak=92 ppm1=2.395 ppm2=2.516

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HG1#
	 ) 4.5 2.0 0.0 volume=0.102 peak=305 ppm1=2.502 ppm2=1.296

assign ( resid 12 and name H
	 )
       ( resid 9 and name HA
	 ) 4.5 2.0 0.0 volume=0.036 peak=133 ppm1=8.288 ppm2=4.392

assign ( resid 24 and name H
	 )
       ( resid 20 and name HA
	 ) 5.5 2.5 0.5 volume=0.024 peak=166 ppm1=8.877 ppm2=4.568

assign ( resid 18 and name HB#
	 )
       ( resid 18 and name HA
	 ) 3.2 1.5 0.1 volume=0.238 peak=53 ppm1=1.795 ppm2=4.298

assign ( resid 3 and name HB
	 )
       ( resid 3 and name HG12
	 ) 4.5 2.0 0.0 volume=0.156 peak=261 ppm1=2.157 ppm2=1.362

assign ( resid 23 and name HE1
	 )
       ( resid 23 and name HZ2
	 ) 4.5 2.0 0.0 volume=0.036 peak=7 ppm1=9.632 ppm2=7.593

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.073 peak=55 ppm1=3.863 ppm2=1.044

assign ( resid 24 and name H
	 )
       ( resid 24 and name HG
	 ) 4.5 2.0 0.0 volume=0.147 peak=109 ppm1=8.876 ppm2=1.706

assign ( resid 30 and name HB2
	 )
       ( resid 30 and name HG3
	 ) 2.5 0.8 0.2 volume=1.007 peak=160 ppm1=2.113 ppm2=1.996

assign ( resid 10 and name HD2
	 )
       ( resid 9 and name HB#
	 ) 3.2 1.5 0.1 volume=0.417 peak=262 ppm1=3.814 ppm2=1.660

assign ( resid 2 and name H
	 )
       ( resid 3 and name HA
	 ) 4.5 2.0 0.0 volume=0.048 peak=280 ppm1=9.112 ppm2=4.029

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HG13
	 ) 4.5 2.0 0.0 volume=0.050 peak=152 ppm1=2.219 ppm2=1.382

assign ( resid 21 and name H
	 )
       ( resid 17 and name HA
	 ) 4.5 2.0 0.0 volume=0.037 peak=233 ppm1=8.851 ppm2=4.029

assign ( resid 4 and name H
	 )
       ( resid 4 and name HB2
	 ) 4.5 2.0 0.0 volume=0.071 peak=221 ppm1=8.397 ppm2=3.377

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 4.5 2.0 0.0 volume=0.044 peak=113 ppm1=7.446 ppm2=3.970

assign ( resid 28 and name HB3
	 )
       ( resid 28 and name HB2
	 ) 2.5 0.8 0.2 volume=2.675 peak=22 ppm1=3.038 ppm2=2.894

assign ( resid 4 and name HE#
	 )
       ( resid 8 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.052 peak=201 ppm1=7.471 ppm2=1.043

assign ( resid 29 and name H
	 )
       ( resid 29 and name HA
	 ) 4.5 2.0 0.0 volume=0.091 peak=126 ppm1=7.711 ppm2=4.421

assign ( resid 20 and name H
	 )
       ( resid 21 and name H
	 ) 3.2 1.5 0.1 volume=0.289 peak=137 ppm1=9.112 ppm2=8.855

assign ( resid 14 and name H
	 )
       ( resid 15 and name H
	 ) 5.5 2.5 0.5 volume=0.014 peak=184 ppm1=8.448 ppm2=8.527

assign ( resid 13 and name H
	 )
       ( resid 10 and name HA
	 ) 5.5 2.5 0.5 volume=0.019 peak=37 ppm1=8.514 ppm2=4.493

assign ( resid 15 and name HA
	 )
       ( resid 15 and name HG
	 ) 4.5 2.0 0.0 volume=0.091 peak=97 ppm1=4.324 ppm2=3.414

assign ( resid 9 and name HB#
	 )
       ( resid 9 and name HA
	 ) 3.2 1.5 0.1 volume=0.395 peak=76 ppm1=1.665 ppm2=4.394

assign ( resid 26 and name H
	 )
       ( resid 26 and name HG3
	 or resid 26 and name HG2
	 ) 4.5 2.0 0.0 volume=0.049 peak=129 ppm1=7.927 ppm2=1.416

assign ( resid 19 and name H
	 )
       ( resid 20 and name H
	 ) 3.2 1.5 0.1 volume=0.229 peak=307 ppm1=8.842 ppm2=9.110

assign ( resid 26 and name HB3
	 or resid 26 and name HG3
	 )
       ( resid 26 and name HB3
	 or resid 26 and name HG2
	 ) 3.2 1.5 0.1 volume=0.190 peak=59 ppm1=1.773 ppm2=1.481

assign ( resid 6 and name HD2
	 )
       ( resid 6 and name HB3
	 ) 4.5 2.0 0.0 volume=0.078 peak=12 ppm1=7.544 ppm2=3.500

assign ( resid 5 and name HB
	 )
       ( resid 4 and name HA
	 ) 5.5 2.5 0.5 volume=0.014 peak=60 ppm1=2.282 ppm2=4.504

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 4.5 2.0 0.0 volume=0.030 peak=80 ppm1=7.904 ppm2=3.497

assign ( resid 23 and name HE3
	 )
       ( resid 23 and name HB2
	 ) 4.5 2.0 0.0 volume=0.108 peak=168 ppm1=7.589 ppm2=3.506

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HA
	 ) 4.5 2.0 0.0 volume=0.158 peak=256 ppm1=1.992 ppm2=4.592

assign ( resid 5 and name H
	 )
       ( resid 5 and name HG2#
	 ) 5.5 2.5 0.5 volume=0.018 peak=165 ppm1=7.957 ppm2=1.080

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HD1#
	 or resid 24 and name HD2#
	 ) 4.5 2.0 0.0 volume=0.158 peak=41 ppm1=1.700 ppm2=1.052

assign ( resid 8 and name H
	 )
       ( resid 8 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.051 peak=81 ppm1=7.864 ppm2=1.048

assign ( resid 10 and name HB2
	 )
       ( resid 10 and name HA
	 ) 4.5 2.0 0.0 volume=0.181 peak=155 ppm1=2.525 ppm2=4.492

assign ( resid 12 and name H
	 )
       ( resid 11 and name HG1#
	 ) 5.5 2.5 0.5 volume=0.020 peak=301 ppm1=8.290 ppm2=1.293

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 4.5 2.0 0.0 volume=0.137 peak=258 ppm1=8.291 ppm2=3.861

assign ( resid 6 and name H
	 )
       ( resid 5 and name HB
	 ) 5.5 2.5 0.5 volume=0.017 peak=42 ppm1=8.062 ppm2=2.280

assign ( resid 21 and name HB2
	 )
       ( resid 21 and name HA
	 ) 2.5 0.8 0.2 volume=0.657 peak=102 ppm1=4.141 ppm2=4.345

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB2
	 ) 4.5 2.0 0.0 volume=0.158 peak=231 ppm1=8.403 ppm2=3.505

assign ( resid 27 and name H
	 )
       ( resid 27 and name HG3
	 or resid 27 and name HG2
	 ) 4.5 2.0 0.0 volume=0.043 peak=96 ppm1=8.165 ppm2=1.744

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB3
	 ) 4.5 2.0 0.0 volume=0.078 peak=24 ppm1=8.062 ppm2=3.500

assign ( resid 4 and name HD#
	 )
       ( resid 4 and name HE#
	 ) 2.5 0.8 0.2 volume=1.594 peak=64 ppm1=7.379 ppm2=7.466

assign ( resid 24 and name H
	 )
       ( resid 24 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.035 peak=16 ppm1=8.875 ppm2=1.046

assign ( resid 4 and name H
	 )
       ( resid 3 and name HB
	 ) 5.5 2.5 0.5 volume=0.021 peak=139 ppm1=8.397 ppm2=2.156

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 4.5 2.0 0.0 volume=0.068 peak=130 ppm1=8.531 ppm2=4.031

assign ( resid 22 and name H
	 )
       ( resid 19 and name HA
	 ) 5.5 2.5 0.5 volume=0.012 peak=178 ppm1=8.519 ppm2=4.436

assign ( resid 3 and name HG13
	 )
       ( resid 3 and name HG12
	 ) 4.5 2.0 0.0 volume=0.165 peak=161 ppm1=1.715 ppm2=1.347

assign ( resid 11 and name HG1#
	 )
       ( resid 11 and name HA
	 ) 3.2 1.5 0.1 volume=0.339 peak=125 ppm1=1.295 ppm2=3.974

assign ( resid 20 and name H
	 )
       ( resid 19 and name HA
	 ) 5.5 2.5 0.5 volume=0.022 peak=196 ppm1=9.112 ppm2=4.437

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG2#
	 ) 3.2 1.5 0.1 volume=0.202 peak=235 ppm1=3.861 ppm2=1.138

assign ( resid 5 and name HB
	 )
       ( resid 5 and name HG2#
	 ) 6.0 0.0 6.0 volume=0.004 peak=176 ppm1=2.275 ppm2=1.067

assign ( resid 17 and name HG12
	 )
       ( resid 17 and name HG2#
	 ) 5.5 2.5 0.5 volume=0.026 peak=46 ppm1=2.114 ppm2=1.198

assign ( resid 10 and name HG3
	 )
       ( resid 10 and name HD2
	 ) 4.5 2.0 0.0 volume=0.078 peak=291 ppm1=2.038 ppm2=3.810

assign ( resid 11 and name HG1#
	 )
       ( resid 11 and name HG2#
	 ) 6.0 0.0 6.0 volume=0.000 peak=86 ppm1=1.299 ppm2=1.171

assign ( resid 26 and name HE
	 )
       ( resid 26 and name HD2
	 ) 5.5 2.5 0.5 volume=0.018 peak=33 ppm1=7.275 ppm2=2.885

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG13
	 ) 4.5 2.0 0.0 volume=0.070 peak=151 ppm1=8.287 ppm2=1.465

assign ( resid 19 and name H
	 )
       ( resid 18 and name HB#
	 ) 3.2 1.5 0.1 volume=0.251 peak=1 ppm1=8.840 ppm2=1.795

assign ( resid 26 and name HB3
	 )
       ( resid 26 and name HA
	 ) 3.2 1.5 0.1 volume=0.218 peak=228 ppm1=2.896 ppm2=4.860

assign ( resid 19 and name HD#
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 3.2 1.5 0.1 volume=0.284 peak=303 ppm1=7.253 ppm2=3.452

assign ( resid 17 and name HA
	 )
       ( resid 17 and name HB
	 ) 3.2 1.5 0.1 volume=0.226 peak=116 ppm1=4.022 ppm2=2.217

assign ( resid 30 and name H
	 )
       ( resid 30 and name HB2
	 ) 5.5 2.5 0.5 volume=0.023 peak=191 ppm1=8.138 ppm2=2.127

assign ( resid 12 and name H
	 )
       ( resid 11 and name H
	 ) 4.5 2.0 0.0 volume=0.073 peak=48 ppm1=8.289 ppm2=7.453

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 4.5 2.0 0.0 volume=0.059 peak=120 ppm1=8.434 ppm2=4.397

assign ( resid 22 and name H
	 )
       ( resid 22 and name HB3
	 or resid 22 and name HB2
	 ) 3.2 1.5 0.1 volume=0.296 peak=108 ppm1=8.520 ppm2=3.228

assign ( resid 23 and name HH2
	 )
       ( resid 23 and name HZ3
	 ) 2.5 0.8 0.2 volume=0.812 peak=243 ppm1=7.344 ppm2=7.197

assign ( resid 27 and name H
	 )
       ( resid 26 and name HB2
	 ) 4.5 2.0 0.0 volume=0.073 peak=19 ppm1=8.165 ppm2=1.895

assign ( resid 9 and name HB#
	 )
       ( resid 10 and name HD3
	 ) 3.2 1.5 0.1 volume=0.405 peak=252 ppm1=1.660 ppm2=3.813

assign ( resid 18 and name H
	 )
       ( resid 18 and name HB#
	 ) 3.2 1.5 0.1 volume=0.592 peak=21 ppm1=8.624 ppm2=1.796

assign ( resid 19 and name H
	 )
       ( resid 19 and name HB2
	 ) 2.5 0.8 0.2 volume=0.646 peak=150 ppm1=8.841 ppm2=3.448

assign ( resid 21 and name H
	 )
       ( resid 22 and name H
	 ) 4.5 2.0 0.0 volume=0.139 peak=29 ppm1=8.853 ppm2=8.520

assign ( resid 23 and name HE1
	 )
       ( resid 23 and name HD1
	 ) 4.5 2.0 0.0 volume=0.084 peak=89 ppm1=9.632 ppm2=6.800

assign ( resid 26 and name HD3
	 )
       ( resid 26 and name HB2
	 ) 5.5 2.5 0.5 volume=0.013 peak=193 ppm1=2.958 ppm2=1.900

assign ( resid 8 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 5.5 2.5 0.5 volume=0.017 peak=3 ppm1=7.870 ppm2=3.497

assign ( resid 14 and name H
	 )
       ( resid 13 and name HB3
	 ) 4.5 2.0 0.0 volume=0.180 peak=227 ppm1=8.446 ppm2=4.042

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG12
	 ) 4.5 2.0 0.0 volume=0.123 peak=190 ppm1=8.286 ppm2=1.847

assign ( resid 9 and name H
	 )
       ( resid 8 and name HA
	 ) 5.5 2.5 0.5 volume=0.009 peak=207 ppm1=8.433 ppm2=4.242

assign ( resid 12 and name H
	 )
       ( resid 12 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.040 peak=313 ppm1=8.290 ppm2=1.143

assign ( resid 4 and name HD#
	 )
       ( resid 8 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.060 peak=146 ppm1=7.380 ppm2=1.049

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HG12
	 ) 4.5 2.0 0.0 volume=0.142 peak=279 ppm1=4.032 ppm2=1.366

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG12
	 ) 4.5 2.0 0.0 volume=0.077 peak=52 ppm1=3.862 ppm2=1.845

assign ( resid 10 and name HD3
	 or resid 10 and name HD2
	 )
       ( resid 10 and name HG2
	 ) 4.5 2.0 0.0 volume=0.181 peak=283 ppm1=3.811 ppm2=2.102

assign ( resid 30 and name H
	 )
       ( resid 30 and name HA
	 ) 4.5 2.0 0.0 volume=0.049 peak=206 ppm1=8.140 ppm2=4.594

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HB
	 ) 3.2 1.5 0.1 volume=0.195 peak=287 ppm1=3.856 ppm2=2.152

assign ( resid 24 and name H
	 )
       ( resid 27 and name HD3
	 or resid 27 and name HD2
	 ) 4.5 2.0 0.0 volume=0.051 peak=224 ppm1=8.878 ppm2=3.128

assign ( resid 20 and name H
	 )
       ( resid 19 and name HD#
	 ) 5.5 2.5 0.5 volume=0.021 peak=93 ppm1=9.111 ppm2=7.251

assign ( resid 16 and name H
	 )
       ( resid 17 and name HA
	 ) 5.5 2.5 0.5 volume=0.026 peak=6 ppm1=8.567 ppm2=4.031

assign ( resid 23 and name HD1
	 )
       ( resid 23 and name HA
	 ) 4.5 2.0 0.0 volume=0.045 peak=134 ppm1=6.800 ppm2=4.125

assign ( resid 11 and name H
	 )
       ( resid 11 and name HG1#
	 ) 4.5 2.0 0.0 volume=0.084 peak=274 ppm1=7.447 ppm2=1.296

assign ( resid 27 and name HB3
	 )
       ( resid 27 and name HD2
	 ) 5.5 2.5 0.5 volume=0.027 peak=188 ppm1=1.887 ppm2=3.139

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HG2#
	 ) 3.2 1.5 0.1 volume=0.423 peak=272 ppm1=2.220 ppm2=1.196

assign ( resid 22 and name HE#
	 )
       ( resid 26 and name HD2
	 ) 4.5 2.0 0.0 volume=0.034 peak=204 ppm1=6.390 ppm2=2.880

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HB2
	 ) 4.5 2.0 0.0 volume=0.102 peak=197 ppm1=4.141 ppm2=1.971

assign ( resid 27 and name HG3
	 or resid 27 and name HG2
	 )
       ( resid 27 and name HB2
	 ) 2.5 0.8 0.2 volume=1.475 peak=8 ppm1=1.735 ppm2=1.960

assign ( resid 9 and name H
	 )
       ( resid 8 and name HB
	 ) 5.5 2.5 0.5 volume=0.016 peak=241 ppm1=8.438 ppm2=1.954

assign ( resid 26 and name H
	 )
       ( resid 25 and name HA
	 ) 5.5 2.5 0.5 volume=0.022 peak=56 ppm1=7.929 ppm2=4.266

assign ( resid 21 and name H
	 )
       ( resid 20 and name HA
	 ) 5.5 2.5 0.5 volume=0.029 peak=140 ppm1=8.853 ppm2=4.568

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HG3
	 or resid 27 and name HG2
	 ) 4.5 2.0 0.0 volume=0.088 peak=219 ppm1=4.141 ppm2=1.733

assign ( resid 8 and name HA
	 )
       ( resid 11 and name HG1#
	 ) 4.5 2.0 0.0 volume=0.039 peak=9 ppm1=4.246 ppm2=1.291

assign ( resid 27 and name HE
	 )
       ( resid 27 and name HD3
	 or resid 27 and name HD2
	 ) 5.5 2.5 0.5 volume=0.015 peak=270 ppm1=7.448 ppm2=3.151

assign ( resid 23 and name HZ2
	 )
       ( resid 23 and name HH2
	 ) 2.5 0.8 0.2 volume=1.000 peak=77 ppm1=7.592 ppm2=7.350

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG1#
	 ) 3.2 1.5 0.1 volume=0.238 peak=259 ppm1=3.970 ppm2=1.296

assign ( resid 26 and name HD3
	 )
       ( resid 26 and name HG3
	 or resid 26 and name HG2
	 ) 4.5 2.0 0.0 volume=0.089 peak=138 ppm1=2.955 ppm2=1.454

assign ( resid 11 and name HA
	 )
       ( resid 11 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.155 peak=38 ppm1=3.969 ppm2=1.177

assign ( resid 26 and name H
	 )
       ( resid 26 and name HA
	 ) 4.5 2.0 0.0 volume=0.127 peak=255 ppm1=7.931 ppm2=4.108

assign ( resid 24 and name HB2
	 )
       ( resid 24 and name HG
	 ) 3.2 1.5 0.1 volume=0.584 peak=98 ppm1=1.835 ppm2=1.706

assign ( resid 12 and name HB
	 )
       ( resid 12 and name HG2#
	 ) 3.2 1.5 0.1 volume=0.373 peak=290 ppm1=2.151 ppm2=1.144

assign ( resid 14 and name H
	 )
       ( resid 13 and name HA
	 ) 5.5 2.5 0.5 volume=0.023 peak=158 ppm1=8.448 ppm2=4.346

assign ( resid 28 and name H
	 )
       ( resid 27 and name HA
	 ) 5.5 2.5 0.5 volume=0.019 peak=110 ppm1=7.964 ppm2=4.129

assign ( resid 23 and name H
	 )
       ( resid 20 and name HA
	 ) 4.5 2.0 0.0 volume=0.047 peak=302 ppm1=8.405 ppm2=4.571

assign ( resid 13 and name HB2
	 )
       ( resid 16 and name HB#
	 ) 5.5 2.5 0.5 volume=0.020 peak=269 ppm1=4.040 ppm2=1.810

assign ( resid 23 and name HE3
	 )
       ( resid 23 and name HZ3
	 ) 4.5 2.0 0.0 volume=0.130 peak=13 ppm1=7.597 ppm2=7.206

assign ( resid 12 and name HA
	 )
       ( resid 15 and name HG
	 ) 4.5 2.0 0.0 volume=0.116 peak=61 ppm1=3.860 ppm2=3.420

assign ( resid 15 and name H
	 )
       ( resid 15 and name HA
	 ) 3.2 1.5 0.1 volume=0.305 peak=214 ppm1=8.525 ppm2=4.334

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HB2
	 ) 2.5 0.8 0.2 volume=1.007 peak=200 ppm1=1.993 ppm2=2.120

assign ( resid 19 and name HB2
	 or resid 19 and name HB3
	 )
       ( resid 19 and name HA
	 ) 3.2 1.5 0.1 volume=0.418 peak=250 ppm1=3.451 ppm2=4.437

assign ( resid 4 and name HD#
	 )
       ( resid 4 and name HB2
	 or resid 4 and name HB3
	 ) 4.5 2.0 0.0 volume=0.140 peak=181 ppm1=7.379 ppm2=3.376

assign ( resid 25 and name H
	 )
       ( resid 24 and name HB3
	 ) 4.5 2.0 0.0 volume=0.083 peak=175 ppm1=8.047 ppm2=1.834

assign ( resid 26 and name HA
	 )
       ( resid 26 and name HG3
	 or resid 26 and name HG2
	 ) 4.5 2.0 0.0 volume=0.076 peak=185 ppm1=4.114 ppm2=1.419

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB3
	 ) 5.5 2.5 0.5 volume=0.016 peak=216 ppm1=7.966 ppm2=3.048

assign ( resid 4 and name HB2
	 or resid 4 and name HB3
	 )
       ( resid 4 and name HA
	 ) 3.2 1.5 0.1 volume=0.211 peak=82 ppm1=3.374 ppm2=4.509

assign ( resid 8 and name HG2#
	 )
       ( resid 8 and name HA
	 ) 3.2 1.5 0.1 volume=0.203 peak=253 ppm1=1.103 ppm2=4.244

assign ( resid 22 and name HE#
	 )
       ( resid 22 and name HA
	 ) 5.5 2.5 0.5 volume=0.016 peak=247 ppm1=6.392 ppm2=4.136

assign ( resid 8 and name H
	 )
       ( resid 8 and name HG13
	 ) 4.5 2.0 0.0 volume=0.042 peak=310 ppm1=7.863 ppm2=1.654

assign ( resid 10 and name HB2
	 )
       ( resid 10 and name HD3
	 ) 4.5 2.0 0.0 volume=0.035 peak=43 ppm1=2.518 ppm2=3.814

assign ( resid 12 and name HB
	 )
       ( resid 12 and name HG12
	 ) 4.5 2.0 0.0 volume=0.097 peak=267 ppm1=2.158 ppm2=1.832

assign ( resid 20 and name H
	 )
       ( resid 20 and name HB2
	 ) 3.2 1.5 0.1 volume=0.413 peak=83 ppm1=9.112 ppm2=3.456

assign ( resid 26 and name HA
	 )
       ( resid 26 and name HD3
	 ) 4.5 2.0 0.0 volume=0.046 peak=238 ppm1=4.107 ppm2=2.970

assign ( resid 8 and name HG13
	 )
       ( resid 8 and name HG12
	 ) 2.5 0.8 0.2 volume=0.945 peak=31 ppm1=1.648 ppm2=1.455

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.140 peak=260 ppm1=4.247 ppm2=1.101

assign ( resid 2 and name H
	 )
       ( resid 2 and name HB2
	 ) 5.5 2.5 0.5 volume=0.018 peak=25 ppm1=9.110 ppm2=1.927

assign ( resid 16 and name H
	 )
       ( resid 15 and name HG
	 ) 4.5 2.0 0.0 volume=0.104 peak=162 ppm1=8.570 ppm2=3.427

assign ( resid 2 and name HB3
	 )
       ( resid 2 and name HA
	 ) 4.5 2.0 0.0 volume=0.068 peak=179 ppm1=1.948 ppm2=4.507

assign ( resid 23 and name HE1
	 )
       ( resid 19 and name HE#
	 ) 5.5 2.5 0.5 volume=0.016 peak=212 ppm1=9.633 ppm2=7.417

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB
	 ) 4.5 2.0 0.0 volume=0.072 peak=264 ppm1=7.447 ppm2=2.501

assign ( resid 21 and name H
	 )
       ( resid 21 and name HA
	 ) 3.2 1.5 0.1 volume=0.314 peak=104 ppm1=8.855 ppm2=4.327

assign ( resid 7 and name HB
	 )
       ( resid 7 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.168 peak=299 ppm1=2.156 ppm2=1.062

assign ( resid 26 and name HA
	 )
       ( resid 26 and name HB3
	 ) 4.5 2.0 0.0 volume=0.123 peak=154 ppm1=4.105 ppm2=1.786

assign ( resid 15 and name H
	 )
       ( resid 12 and name HA
	 ) 5.5 2.5 0.5 volume=0.028 peak=4 ppm1=8.522 ppm2=3.860

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB2
	 ) 4.5 2.0 0.0 volume=0.105 peak=47 ppm1=4.311 ppm2=2.322

assign ( resid 30 and name H
	 )
       ( resid 30 and name HG3
	 or resid 30 and name HG2
	 ) 4.5 2.0 0.0 volume=0.038 peak=171 ppm1=8.139 ppm2=1.624

assign ( resid 12 and name HA
	 )
       ( resid 12 and name HG13
	 ) 4.5 2.0 0.0 volume=0.113 peak=311 ppm1=3.861 ppm2=1.467

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HB
	 ) 4.5 2.0 0.0 volume=0.030 peak=182 ppm1=4.389 ppm2=2.157

assign ( resid 30 and name HD2
	 )
       ( resid 30 and name HG3
	 or resid 30 and name HG2
	 ) 2.5 0.8 0.2 volume=0.709 peak=101 ppm1=1.849 ppm2=1.628

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.153 peak=304 ppm1=4.244 ppm2=1.047

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG1#
	 ) 4.5 2.0 0.0 volume=0.139 peak=105 ppm1=3.810 ppm2=1.227

assign ( resid 30 and name HG3
	 )
       ( resid 30 and name HG2
	 ) 4.5 2.0 0.0 volume=0.079 peak=149 ppm1=1.997 ppm2=1.630

assign ( resid 11 and name HB
	 )
       ( resid 7 and name HA
	 ) 4.5 2.0 0.0 volume=0.072 peak=49 ppm1=2.502 ppm2=4.248

assign ( resid 13 and name H
	 )
       ( resid 12 and name HB
	 ) 4.5 2.0 0.0 volume=0.132 peak=306 ppm1=8.514 ppm2=2.154

assign ( resid 5 and name H
	 )
       ( resid 5 and name HB
	 ) 4.5 2.0 0.0 volume=0.036 peak=2 ppm1=7.960 ppm2=2.275

assign ( resid 11 and name HB
	 )
       ( resid 11 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.055 peak=298 ppm1=2.498 ppm2=1.180

assign ( resid 18 and name HA
	 )
       ( resid 17 and name HG2#
	 ) 5.5 2.5 0.5 volume=0.017 peak=23 ppm1=4.296 ppm2=1.195

assign ( resid 20 and name H
	 )
       ( resid 20 and name HA
	 ) 3.2 1.5 0.1 volume=0.204 peak=90 ppm1=9.112 ppm2=4.571

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB#
	 ) 4.5 2.0 0.0 volume=0.115 peak=208 ppm1=8.436 ppm2=1.659

assign ( resid 26 and name HD3
	 )
       ( resid 26 and name HB3
	 ) 4.5 2.0 0.0 volume=0.032 peak=285 ppm1=2.968 ppm2=1.781

assign ( resid 3 and name H
	 )
       ( resid 3 and name HG12
	 ) 5.5 2.5 0.5 volume=0.012 peak=131 ppm1=8.536 ppm2=1.349

assign ( resid 5 and name HB
	 )
       ( resid 5 and name HG1#
	 ) 3.2 1.5 0.1 volume=0.226 peak=226 ppm1=2.276 ppm2=1.221

assign ( resid 9 and name HA
	 )
       ( resid 12 and name HD1#
	 ) 5.5 2.5 0.5 volume=0.016 peak=263 ppm1=4.389 ppm2=1.048

assign ( resid 8 and name H
	 )
       ( resid 8 and name HA
	 ) 4.5 2.0 0.0 volume=0.102 peak=210 ppm1=7.862 ppm2=4.247

assign ( resid 17 and name H
	 )
       ( resid 16 and name HA
	 ) 4.5 2.0 0.0 volume=0.087 peak=145 ppm1=8.612 ppm2=4.350

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB3
	 ) 4.5 2.0 0.0 volume=0.095 peak=117 ppm1=8.855 ppm2=4.127

assign ( resid 22 and name HD#
	 )
       ( resid 22 and name HB3
	 or resid 22 and name HB2
	 ) 3.2 1.5 0.1 volume=0.283 peak=296 ppm1=6.582 ppm2=3.225

assign ( resid 27 and name H
	 )
       ( resid 26 and name HB3
	 ) 5.5 2.5 0.5 volume=0.007 peak=121 ppm1=8.164 ppm2=1.790

assign ( resid 17 and name HB
	 )
       ( resid 17 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.102 peak=73 ppm1=2.220 ppm2=1.072

assign ( resid 7 and name HB
	 )
       ( resid 4 and name HA
	 ) 4.5 2.0 0.0 volume=0.030 peak=251 ppm1=2.172 ppm2=4.507

assign ( resid 27 and name H
	 )
       ( resid 27 and name HA
	 ) 4.5 2.0 0.0 volume=0.060 peak=79 ppm1=8.166 ppm2=4.144

assign ( resid 4 and name HA
	 )
       ( resid 4 and name HB2
	 or resid 4 and name HB3
	 ) 4.5 2.0 0.0 volume=0.141 peak=34 ppm1=4.509 ppm2=3.373

assign ( resid 29 and name H
	 )
       ( resid 26 and name HA
	 ) 4.5 2.0 0.0 volume=0.083 peak=94 ppm1=7.711 ppm2=4.863

assign ( resid 27 and name HG2
	 )
       ( resid 27 and name HA
	 ) 4.5 2.0 0.0 volume=0.082 peak=135 ppm1=1.740 ppm2=4.135

assign ( resid 12 and name H
	 )
       ( resid 9 and name HB#
	 ) 5.5 2.5 0.5 volume=0.011 peak=194 ppm1=8.290 ppm2=1.657

assign ( resid 21 and name HB3
	 )
       ( resid 21 and name HA
	 ) 2.5 0.8 0.2 volume=0.773 peak=35 ppm1=4.124 ppm2=4.345

assign ( resid 13 and name H
	 )
       ( resid 13 and name HA
	 ) 3.2 1.5 0.1 volume=0.277 peak=143 ppm1=8.512 ppm2=4.352

assign ( resid 22 and name HE#
	 )
       ( resid 22 and name HD#
	 ) 2.5 0.8 0.2 volume=1.510 peak=189 ppm1=6.391 ppm2=6.585

assign ( resid 5 and name H
	 )
       ( resid 5 and name HG1#
	 ) 4.5 2.0 0.0 volume=0.048 peak=203 ppm1=7.962 ppm2=1.228

assign ( resid 12 and name H
	 )
       ( resid 8 and name HA
	 ) 5.5 2.5 0.5 volume=0.012 peak=174 ppm1=8.287 ppm2=4.240

assign ( resid 12 and name H
	 )
       ( resid 13 and name H
	 ) 4.5 2.0 0.0 volume=0.083 peak=141 ppm1=8.290 ppm2=8.517

assign ( resid 4 and name H
	 )
       ( resid 3 and name H
	 ) 4.5 2.0 0.0 volume=0.048 peak=57 ppm1=8.396 ppm2=8.532

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HB
	 ) 3.2 1.5 0.1 volume=0.330 peak=282 ppm1=4.024 ppm2=2.152

assign ( resid 27 and name H
	 )
       ( resid 24 and name HA
	 ) 5.5 2.5 0.5 volume=0.015 peak=10 ppm1=8.165 ppm2=3.977

assign ( resid 19 and name H
	 )
       ( resid 19 and name HA
	 ) 3.2 1.5 0.1 volume=0.209 peak=78 ppm1=8.841 ppm2=4.437

assign ( resid 8 and name HB
	 )
       ( resid 8 and name HA
	 ) 4.5 2.0 0.0 volume=0.062 peak=114 ppm1=1.943 ppm2=4.241

assign ( resid 7 and name HG13
	 )
       ( resid 7 and name HG12
	 ) 4.5 2.0 0.0 volume=0.179 peak=159 ppm1=1.802 ppm2=1.386

assign ( resid 11 and name HG2#
	 )
       ( resid 11 and name HA
	 ) 4.5 2.0 0.0 volume=0.111 peak=172 ppm1=1.177 ppm2=3.969

assign ( resid 17 and name H
	 )
       ( resid 17 and name HA
	 ) 3.2 1.5 0.1 volume=0.296 peak=39 ppm1=8.611 ppm2=4.029

assign ( resid 16 and name HB#
	 )
       ( resid 16 and name HA
	 ) 3.2 1.5 0.1 volume=0.545 peak=232 ppm1=1.815 ppm2=4.352

assign ( resid 24 and name H
	 )
       ( resid 24 and name HA
	 ) 3.2 1.5 0.1 volume=0.197 peak=99 ppm1=8.877 ppm2=3.982

assign ( resid 15 and name H
	 )
       ( resid 15 and name HG
	 ) 4.5 2.0 0.0 volume=0.108 peak=54 ppm1=8.526 ppm2=3.423

assign ( resid 17 and name H
	 )
       ( resid 17 and name HG12
	 ) 3.2 1.5 0.1 volume=0.240 peak=292 ppm1=8.609 ppm2=2.113

assign ( resid 23 and name H
	 )
       ( resid 24 and name H
	 ) 4.5 2.0 0.0 volume=0.153 peak=18 ppm1=8.403 ppm2=8.877

assign ( resid 21 and name H
	 )
       ( resid 20 and name HB3
	 ) 4.5 2.0 0.0 volume=0.056 peak=156 ppm1=8.854 ppm2=3.529

assign ( resid 23 and name HE3
	 )
       ( resid 23 and name HA
	 ) 4.5 2.0 0.0 volume=0.128 peak=218 ppm1=7.591 ppm2=4.127

assign ( resid 17 and name HG12
	 )
       ( resid 17 and name HG13
	 ) 3.2 1.5 0.1 volume=0.540 peak=14 ppm1=2.112 ppm2=1.384

assign ( resid 2 and name H
	 )
       ( resid 1 and name HA
	 ) 4.5 2.0 0.0 volume=0.051 peak=62 ppm1=9.112 ppm2=4.315

assign ( resid 1 and name HA
	 )
       ( resid 1 and name HB3
	 ) 4.5 2.0 0.0 volume=0.113 peak=271 ppm1=4.307 ppm2=2.377

assign ( resid 26 and name HD2
	 )
       ( resid 26 and name HG2
	 ) 4.5 2.0 0.0 volume=0.051 peak=308 ppm1=2.879 ppm2=1.461

assign ( resid 25 and name H
	 )
       ( resid 24 and name HG
	 ) 4.5 2.0 0.0 volume=0.087 peak=254 ppm1=8.047 ppm2=1.705

assign ( resid 8 and name HA
	 )
       ( resid 8 and name HG13
	 ) 5.5 2.5 0.5 volume=0.027 peak=17 ppm1=4.246 ppm2=1.654

assign ( resid 9 and name H
	 )
       ( resid 10 and name HD3
	 ) 4.5 2.0 0.0 volume=0.060 peak=215 ppm1=8.433 ppm2=3.814

assign ( resid 27 and name HB3
	 )
       ( resid 24 and name HA
	 ) 5.5 2.5 0.5 volume=0.020 peak=123 ppm1=1.891 ppm2=3.983

assign ( resid 10 and name HD2
	 )
       ( resid 10 and name HB3
	 ) 4.5 2.0 0.0 volume=0.136 peak=289 ppm1=3.811 ppm2=2.397

assign ( resid 24 and name H
	 )
       ( resid 23 and name HA
	 ) 4.5 2.0 0.0 volume=0.045 peak=277 ppm1=8.878 ppm2=4.127

assign ( resid 12 and name HB
	 )
       ( resid 9 and name HA
	 ) 4.5 2.0 0.0 volume=0.044 peak=65 ppm1=2.156 ppm2=4.397

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB
	 ) 3.2 1.5 0.1 volume=0.202 peak=107 ppm1=8.289 ppm2=2.153

assign ( resid 18 and name H
	 )
       ( resid 17 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.089 peak=44 ppm1=8.623 ppm2=1.199

assign ( resid 4 and name H
	 )
       ( resid 3 and name HD1#
	 ) 5.5 2.5 0.5 volume=0.011 peak=111 ppm1=8.395 ppm2=1.010

assign ( resid 7 and name HA
	 )
       ( resid 7 and name HB
	 ) 3.2 1.5 0.1 volume=0.203 peak=84 ppm1=4.245 ppm2=2.168

assign ( resid 10 and name HD3
	 )
       ( resid 10 and name HG3
	 ) 4.5 2.0 0.0 volume=0.059 peak=153 ppm1=3.808 ppm2=2.040

assign ( resid 30 and name HG3
	 or resid 30 and name HG2
	 )
       ( resid 30 and name HA
	 ) 5.5 2.5 0.5 volume=0.011 peak=26 ppm1=1.627 ppm2=4.591

assign ( resid 1 and name HG3
	 or resid 1 and name HG2
	 )
       ( resid 5 and name HG1#
	 ) 5.5 2.5 0.5 volume=0.010 peak=66 ppm1=2.747 ppm2=1.225

assign ( resid 12 and name HG12
	 )
       ( resid 12 and name HG13
	 ) 3.2 1.5 0.1 volume=0.233 peak=199 ppm1=1.845 ppm2=1.465

assign ( resid 17 and name H
	 )
       ( resid 17 and name HG2#
	 ) 4.5 2.0 0.0 volume=0.080 peak=309 ppm1=8.609 ppm2=1.199

assign ( resid 28 and name HD21
	 )
       ( resid 28 and name HD22
	 ) 3.2 1.5 0.1 volume=0.453 peak=230 ppm1=7.717 ppm2=6.709

assign ( resid 27 and name HD3
	 or resid 27 and name HD2
	 )
       ( resid 27 and name HG3
	 or resid 27 and name HG2
	 ) 4.5 2.0 0.0 volume=0.136 peak=27 ppm1=3.149 ppm2=1.738

assign ( resid 3 and name HA
	 )
       ( resid 3 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.093 peak=71 ppm1=4.029 ppm2=1.006

assign ( resid 3 and name HB
	 )
       ( resid 3 and name HD1#
	 ) 4.5 2.0 0.0 volume=0.038 peak=67 ppm1=2.155 ppm2=1.007

assign ( resid 23 and name HD1
	 )
       ( resid 23 and name HB3
	 ) 4.5 2.0 0.0 volume=0.159 peak=239 ppm1=6.798 ppm2=3.128

assign ( resid 24 and name H
	 )
       ( resid 23 and name HB2
	 ) 4.5 2.0 0.0 volume=0.118 peak=127 ppm1=8.876 ppm2=3.500

assign ( resid 3 and name H
	 )
       ( resid 3 and name HG13
	 ) 5.5 2.5 0.5 volume=0.021 peak=246 ppm1=8.530 ppm2=1.724

assign ( resid 5 and name H
	 )
       ( resid 4 and name HB2
	 or resid 4 and name HB3
	 ) 5.5 2.5 0.5 volume=0.013 peak=68 ppm1=7.959 ppm2=3.376

assign ( resid 30 and name H
	 )
       ( resid 30 and name HG3
	 ) 4.5 2.0 0.0 volume=0.033 peak=170 ppm1=8.139 ppm2=1.988

assign ( resid 3 and name H
	 )
       ( resid 4 and name HA
	 ) 4.5 2.0 0.0 volume=0.033 peak=237 ppm1=8.531 ppm2=4.501

assign ( resid 19 and name HD#
	 )
       ( resid 19 and name HA
	 ) 4.5 2.0 0.0 volume=0.053 peak=229 ppm1=7.249 ppm2=4.435

assign ( resid 17 and name HG13
	 )
       ( resid 17 and name HD1#
	 ) 3.2 1.5 0.1 volume=0.527 peak=69 ppm1=1.364 ppm2=1.065

assign ( resid 20 and name H
	 )
       ( resid 16 and name HA
	 ) 4.5 2.0 0.0 volume=0.040 peak=284 ppm1=9.111 ppm2=4.350

assign ( resid 19 and name H
	 )
       ( resid 16 and name HA
	 ) 4.5 2.0 0.0 volume=0.170 peak=180 ppm1=8.841 ppm2=4.352

assign ( resid 11 and name H
	 )
       ( resid 10 and name HG3
	 ) 5.5 2.5 0.5 volume=0.017 peak=148 ppm1=7.444 ppm2=2.042

assign ( resid 17 and name H
	 )
       ( resid 17 and name HG13
	 ) 4.5 2.0 0.0 volume=0.072 peak=50 ppm1=8.609 ppm2=1.382

assign ( resid 16 and name H
	 )
       ( resid 12 and name HA
	 ) 5.5 2.5 0.5 volume=0.016 peak=275 ppm1=8.568 ppm2=3.861

assign ( resid 1 and name HE#
	 )
       ( resid 1 and name HA
	 ) 4.5 2.0 0.0 volume=0.040 peak=157 ppm1=1.704 ppm2=4.318

assign ( resid 29 and name HA
	 or resid 29 and name HB
	 )
       ( resid 29 and name HG2#
	 ) 3.2 1.5 0.1 volume=0.331 peak=1 ppm1=4.425 ppm2=1.391

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  23.976   3.738  -1.097
  Start of MODEL    1
    2    H2   MET   1           HT2      MET   1  22.371   3.749  -1.632
  Start of MODEL    1
    3    H3   MET   1           HT3      MET   1  23.482   2.667  -2.311
  Start of MODEL    1
    4    HB3  MET   1           HB1      MET   1  23.231   3.511   1.180
  Start of MODEL    1
    5    HA   MET   1           HA       MET   1  23.713   1.523  -0.218
  Start of MODEL    1
    6    HG3  MET   1           HG1      MET   1  20.362   2.960   0.468
  Start of MODEL    1
    7    HB2  MET   1           HB2      MET   1  22.325   2.090   1.666
  Start of MODEL    1
    8    HG2  MET   1           HG2      MET   1  21.282   4.406   0.060
  Start of MODEL    1
    9    HE2  MET   1           HE1      MET   1  21.978   5.886   3.641
  Start of MODEL    1
   10    HE1  MET   1           HE2      MET   1  22.307   6.041   1.915
  Start of MODEL    1
   11    HE3  MET   1           HE3      MET   1  22.981   4.688   2.823
  Start of MODEL    1
   12    HA   LEU   2           HA       LEU   2  20.729  -0.854  -2.225
  Start of MODEL    1
   13    HB2  LEU   2           HB2      LEU   2  20.806  -3.127  -1.577
  Start of MODEL    1
   14    HG   LEU   2           HG       LEU   2  22.243  -3.866   0.401
  Start of MODEL    1
   15   HD11  LEU   2          HD11      LEU   2  23.075  -1.628   0.994
  Start of MODEL    1
   16   HD13  LEU   2          HD12      LEU   2  22.298  -2.459   2.341
  Start of MODEL    1
   17   HD12  LEU   2          HD13      LEU   2  21.442  -1.180   1.482
  Start of MODEL    1
   18   HD22  LEU   2          HD21      LEU   2  20.360  -4.119   1.805
  Start of MODEL    1
   19   HD21  LEU   2          HD22      LEU   2  19.763  -4.149   0.145
  Start of MODEL    1
   20   HD23  LEU   2          HD23      LEU   2  19.572  -2.696   1.126
  Start of MODEL    1
   21    H    LEU   2           HN       LEU   2  22.732  -0.380  -0.324
  Start of MODEL    1
   22    HB3  LEU   2           HB1      LEU   2  22.434  -2.500  -1.463
  Start of MODEL    1
   23    HA   ILE   3           HA       ILE   3  17.766  -0.796   1.296
  Start of MODEL    1
   24    HB   ILE   3           HB       ILE   3  17.762   0.415   3.466
  Start of MODEL    1
   25   HG12  ILE   3          HG12      ILE   3  19.656   2.009   2.558
  Start of MODEL    1
   26   HG23  ILE   3          HG21      ILE   3  18.268  -1.905   3.437
  Start of MODEL    1
   27   HG22  ILE   3          HG22      ILE   3  19.400  -1.130   4.544
  Start of MODEL    1
   28   HG21  ILE   3          HG23      ILE   3  19.929  -1.600   2.929
  Start of MODEL    1
   29   HD13  ILE   3          HD11      ILE   3  21.300  -0.073   3.973
  Start of MODEL    1
   30   HD12  ILE   3          HD12      ILE   3  21.840   1.537   3.502
  Start of MODEL    1
   31   HD11  ILE   3          HD13      ILE   3  21.409   0.358   2.267
  Start of MODEL    1
   32    H    ILE   3           HN       ILE   3  20.466   0.233   0.995
  Start of MODEL    1
   33   HG13  ILE   3          HG11      ILE   3  19.554   1.620   4.269
  Start of MODEL    1
   34    HA   PHE   4           HA       PHE   4  16.672   3.332  -0.029
  Start of MODEL    1
   35    HB2  PHE   4           HB2      PHE   4  18.978   4.101  -0.564
  Start of MODEL    1
   36    HD1  PHE   4           HD1      PHE   4  17.572   6.021   0.094
  Start of MODEL    1
   37    HD2  PHE   4           HD2      PHE   4  17.618   4.511  -3.883
  Start of MODEL    1
   38    HE1  PHE   4           HE1      PHE   4  16.553   8.110  -0.707
  Start of MODEL    1
   39    HE2  PHE   4           HE2      PHE   4  16.600   6.598  -4.692
  Start of MODEL    1
   40    HZ   PHE   4           HZ       PHE   4  16.066   8.401  -3.102
  Start of MODEL    1
   41    H    PHE   4           HN       PHE   4  18.548   1.190  -0.780
  Start of MODEL    1
   42    HB3  PHE   4           HB1      PHE   4  18.812   3.398  -2.171
  Start of MODEL    1
   43    HA   VAL   5           HA       VAL   5  15.174   1.450  -3.945
  Start of MODEL    1
   44    HB   VAL   5           HB       VAL   5  17.317   1.007  -5.056
  Start of MODEL    1
   45   HG13  VAL   5          HG11      VAL   5  18.352  -0.473  -3.477
  Start of MODEL    1
   46   HG12  VAL   5          HG12      VAL   5  18.237  -1.300  -5.030
  Start of MODEL    1
   47   HG11  VAL   5          HG13      VAL   5  17.106  -1.693  -3.736
  Start of MODEL    1
   48   HG22  VAL   5          HG21      VAL   5  16.545  -0.703  -6.644
  Start of MODEL    1
   49   HG21  VAL   5          HG22      VAL   5  15.280   0.462  -6.253
  Start of MODEL    1
   50   HG23  VAL   5          HG23      VAL   5  15.256  -1.145  -5.525
  Start of MODEL    1
   51    H    VAL   5           HN       VAL   5  17.407   0.759  -2.168
  Start of MODEL    1
   52    HA   HIS   6           HA       HIS   6  14.029  -2.592  -2.040
  Start of MODEL    1
   53    HB2  HIS   6           HB2      HIS   6  16.662  -2.832  -0.697
  Start of MODEL    1
   54    HD1  HIS   6           HD1      HIS   6  14.797  -5.923  -1.100
  Start of MODEL    1
   55    HD2  HIS   6           HD2      HIS   6  17.134  -3.477  -3.509
  Start of MODEL    1
   56    HE1  HIS   6           HE1      HIS   6  15.406  -7.328  -3.093
  Start of MODEL    1
   57    HE2  HIS   6           HE2      HIS   6  16.746  -5.798  -4.580
  Start of MODEL    1
   58    H    HIS   6           HN       HIS   6  16.260  -0.759  -1.529
  Start of MODEL    1
   59    HB3  HIS   6           HB1      HIS   6  15.340  -3.761  -0.001
  Start of MODEL    1
   60    HA   ILE   7           HA       ILE   7  12.522  -0.657   1.675
  Start of MODEL    1
   61    HB   ILE   7           HB       ILE   7  14.334   1.650   1.112
  Start of MODEL    1
   62   HG12  ILE   7          HG12      ILE   7  15.110  -0.361   2.337
  Start of MODEL    1
   63   HG23  ILE   7          HG21      ILE   7  12.365   2.836   1.738
  Start of MODEL    1
   64   HG22  ILE   7          HG22      ILE   7  13.443   2.815   3.134
  Start of MODEL    1
   65   HG21  ILE   7          HG23      ILE   7  12.054   1.729   3.075
  Start of MODEL    1
   66   HD12  ILE   7          HD11      ILE   7  14.418  -0.760   4.623
  Start of MODEL    1
   67   HD11  ILE   7          HD12      ILE   7  13.064  -0.977   3.515
  Start of MODEL    1
   68   HD13  ILE   7          HD13      ILE   7  13.183   0.491   4.485
  Start of MODEL    1
   69    H    ILE   7           HN       ILE   7  13.839   0.131  -0.839
  Start of MODEL    1
   70   HG13  ILE   7          HG11      ILE   7  15.224   1.108   3.299
  Start of MODEL    1
   71    HA   ILE   8           HA       ILE   8  10.008   2.610  -0.518
  Start of MODEL    1
   72    HB   ILE   8           HB       ILE   8  10.213   3.528  -2.879
  Start of MODEL    1
   73   HG12  ILE   8          HG12      ILE   8  12.955   2.266  -2.624
  Start of MODEL    1
   74   HG23  ILE   8          HG21      ILE   8  10.830   4.773  -0.865
  Start of MODEL    1
   75   HG22  ILE   8          HG22      ILE   8  11.903   5.151  -2.212
  Start of MODEL    1
   76   HG21  ILE   8          HG23      ILE   8  12.447   4.072  -0.928
  Start of MODEL    1
   77   HD12  ILE   8          HD11      ILE   8  13.200   4.373  -3.733
  Start of MODEL    1
   78   HD11  ILE   8          HD12      ILE   8  11.827   4.026  -4.783
  Start of MODEL    1
   79   HD13  ILE   8          HD13      ILE   8  13.308   3.079  -4.926
  Start of MODEL    1
   80    H    ILE   8           HN       ILE   8  12.511   1.334  -1.192
  Start of MODEL    1
   81   HG13  ILE   8          HG11      ILE   8  11.701   1.767  -3.753
  Start of MODEL    1
   82    HA   ALA   9           HA       ALA   9   8.223  -0.547  -3.157
  Start of MODEL    1
   83    HB1  ALA   9           HB1      ALA   9  10.208  -1.021  -4.505
  Start of MODEL    1
   84    HB3  ALA   9           HB2      ALA   9   9.139  -2.419  -4.390
  Start of MODEL    1
   85    HB2  ALA   9           HB3      ALA   9  10.615  -2.357  -3.429
  Start of MODEL    1
   86    H    ALA   9           HN       ALA   9  10.693  -0.425  -1.557
  Start of MODEL    1
   87    HA   PRO  10           HA       PRO  10   8.119  -4.529  -0.492
  Start of MODEL    1
   88    HB2  PRO  10           HB2      PRO  10  10.255  -4.427   1.471
  Start of MODEL    1
   89    HG2  PRO  10           HG2      PRO  10  12.084  -4.000   0.150
  Start of MODEL    1
   90    HD2  PRO  10           HD2      PRO  10  11.001  -1.950  -0.056
  Start of MODEL    1
   91    HB3  PRO  10           HB1      PRO  10   9.933  -5.655   0.246
  Start of MODEL    1
   92    HG3  PRO  10           HG1      PRO  10  11.306  -4.662  -1.300
  Start of MODEL    1
   93    HD3  PRO  10           HD1      PRO  10  11.171  -2.390  -1.769
  Start of MODEL    1
   94    HA   VAL  11           HA       VAL  11   7.739  -2.213   3.557
  Start of MODEL    1
   95    HB   VAL  11           HB       VAL  11   9.141   0.357   2.830
  Start of MODEL    1
   96   HG11  VAL  11          HG11      VAL  11   8.323  -0.774   5.504
  Start of MODEL    1
   97   HG13  VAL  11          HG12      VAL  11   7.507   0.536   4.649
  Start of MODEL    1
   98   HG12  VAL  11          HG13      VAL  11   9.158   0.755   5.230
  Start of MODEL    1
   99   HG22  VAL  11          HG21      VAL  11  11.020  -0.500   4.171
  Start of MODEL    1
  100   HG21  VAL  11          HG22      VAL  11  10.726  -1.475   2.731
  Start of MODEL    1
  101   HG23  VAL  11          HG23      VAL  11  10.193  -2.051   4.310
  Start of MODEL    1
  102    H    VAL  11           HN       VAL  11   9.271  -1.642   1.175
  Start of MODEL    1
  103    HA   ILE  12           HA       ILE  12   5.373   1.696   2.080
  Start of MODEL    1
  104    HB   ILE  12           HB       ILE  12   6.693   1.619  -0.615
  Start of MODEL    1
  105   HG12  ILE  12          HG12      ILE  12   7.032   4.037  -0.101
  Start of MODEL    1
  106   HG21  ILE  12          HG21      ILE  12   4.125   3.042   0.071
  Start of MODEL    1
  107   HG23  ILE  12          HG22      ILE  12   4.371   1.818  -1.175
  Start of MODEL    1
  108   HG22  ILE  12          HG23      ILE  12   5.118   3.406  -1.341
  Start of MODEL    1
  109   HD12  ILE  12          HD11      ILE  12   8.770   3.830   1.441
  Start of MODEL    1
  110   HD11  ILE  12          HD12      ILE  12   8.699   2.269   0.622
  Start of MODEL    1
  111   HD13  ILE  12          HD13      ILE  12   8.016   2.449   2.237
  Start of MODEL    1
  112    H    ILE  12           HN       ILE  12   7.690   0.466   1.189
  Start of MODEL    1
  113   HG13  ILE  12          HG11      ILE  12   6.250   3.783   1.455
  Start of MODEL    1
  114    HA   SER  13           HA       SER  13   3.030  -0.999  -1.139
  Start of MODEL    1
  115    HB2  SER  13           HB2      SER  13   4.861  -2.145  -2.335
  Start of MODEL    1
  116    HG   SER  13           HG       SER  13   2.842  -2.952  -2.780
  Start of MODEL    1
  117    H    SER  13           HN       SER  13   5.709  -0.883  -0.345
  Start of MODEL    1
  118    HB3  SER  13           HB1      SER  13   5.012  -3.282  -0.996
  Start of MODEL    1
  119    HA2  GLY  14           HA2      GLY  14   2.662  -4.140   2.465
  Start of MODEL    1
  120    H    GLY  14           HN       GLY  14   4.633  -2.262   1.691
  Start of MODEL    1
  121    HA3  GLY  14           HA1      GLY  14   3.847  -3.396   3.529
  Start of MODEL    1
  122    HA   CYS  15           HA       CYS  15   0.851  -0.791   5.206
  Start of MODEL    1
  123    HB2  CYS  15           HB2      CYS  15   1.380   1.599   5.536
  Start of MODEL    1
  124    HG   CYS  15           HG       CYS  15   2.385   2.096   2.835
  Start of MODEL    1
  125    H    CYS  15           HN       CYS  15   3.261  -0.844   3.688
  Start of MODEL    1
  126    HB3  CYS  15           HB1      CYS  15   2.767   0.564   5.858
  Start of MODEL    1
  127    HA   ALA  16           HA       ALA  16  -0.415   1.628   1.256
  Start of MODEL    1
  128    HB3  ALA  16           HB1      ALA  16   1.477   1.149  -0.212
  Start of MODEL    1
  129    HB2  ALA  16           HB2      ALA  16  -0.056   0.918  -1.051
  Start of MODEL    1
  130    HB1  ALA  16           HB3      ALA  16   0.860  -0.480  -0.486
  Start of MODEL    1
  131    H    ALA  16           HN       ALA  16   1.586  -0.255   1.921
  Start of MODEL    1
  132    HA   ILE  17           HA       ILE  17  -2.888  -2.413   0.666
  Start of MODEL    1
  133    HB   ILE  17           HB       ILE  17  -1.941  -3.507   3.316
  Start of MODEL    1
  134   HG12  ILE  17          HG12      ILE  17  -0.173  -3.632   1.627
  Start of MODEL    1
  135   HG21  ILE  17          HG21      ILE  17  -3.762  -4.681   1.220
  Start of MODEL    1
  136   HG23  ILE  17          HG22      ILE  17  -4.225  -4.142   2.834
  Start of MODEL    1
  137   HG22  ILE  17          HG23      ILE  17  -3.161  -5.536   2.641
  Start of MODEL    1
  138   HD12  ILE  17          HD11      ILE  17  -0.408  -4.932  -0.399
  Start of MODEL    1
  139   HD11  ILE  17          HD12      ILE  17  -1.506  -3.551  -0.417
  Start of MODEL    1
  140   HD13  ILE  17          HD13      ILE  17  -2.125  -5.166  -0.071
  Start of MODEL    1
  141    H    ILE  17           HN       ILE  17  -0.599  -1.641   2.163
  Start of MODEL    1
  142   HG13  ILE  17          HG11      ILE  17  -0.807  -5.236   1.976
  Start of MODEL    1
  143    HA   ALA  18           HA       ALA  18  -5.155  -1.247   4.729
  Start of MODEL    1
  144    HB3  ALA  18           HB1      ALA  18  -3.322  -0.922   6.322
  Start of MODEL    1
  145    HB2  ALA  18           HB2      ALA  18  -4.542   0.342   6.473
  Start of MODEL    1
  146    HB1  ALA  18           HB3      ALA  18  -3.021   0.679   5.646
  Start of MODEL    1
  147    H    ALA  18           HN       ALA  18  -2.457  -1.162   3.966
  Start of MODEL    1
  148    HA   PHE  19           HA       PHE  19  -5.372   3.045   2.830
  Start of MODEL    1
  149    HB2  PHE  19           HB2      PHE  19  -3.035   3.646   2.498
  Start of MODEL    1
  150    HD1  PHE  19           HD1      PHE  19  -4.594   5.632   2.540
  Start of MODEL    1
  151    HD2  PHE  19           HD2      PHE  19  -3.562   3.567  -1.033
  Start of MODEL    1
  152    HE1  PHE  19           HE1      PHE  19  -5.308   7.578   1.214
  Start of MODEL    1
  153    HE2  PHE  19           HE2      PHE  19  -4.273   5.508  -2.366
  Start of MODEL    1
  154    HZ   PHE  19           HZ       PHE  19  -5.147   7.517  -1.242
  Start of MODEL    1
  155    H    PHE  19           HN       PHE  19  -3.377   0.965   2.737
  Start of MODEL    1
  156    HB3  PHE  19           HB1      PHE  19  -2.966   2.668   1.035
  Start of MODEL    1
  157    HA   PHE  20           HA       PHE  20  -6.001   1.532  -1.699
  Start of MODEL    1
  158    HB2  PHE  20           HB2      PHE  20  -4.020   0.226  -2.201
  Start of MODEL    1
  159    HD1  PHE  20           HD1      PHE  20  -5.585  -2.883  -2.161
  Start of MODEL    1
  160    HD2  PHE  20           HD2      PHE  20  -5.734   0.898  -4.104
  Start of MODEL    1
  161    HE1  PHE  20           HE1      PHE  20  -6.721  -3.920  -4.080
  Start of MODEL    1
  162    HE2  PHE  20           HE2      PHE  20  -6.871  -0.130  -6.028
  Start of MODEL    1
  163    HZ   PHE  20           HZ       PHE  20  -7.366  -2.543  -6.017
  Start of MODEL    1
  164    H    PHE  20           HN       PHE  20  -4.136   0.923   0.253
  Start of MODEL    1
  165    HB3  PHE  20           HB1      PHE  20  -4.578  -1.084  -1.165
  Start of MODEL    1
  166    HA   SER  21           HA       SER  21  -8.491  -2.274   0.020
  Start of MODEL    1
  167    HB2  SER  21           HB2      SER  21  -7.106  -3.226   1.749
  Start of MODEL    1
  168    HG   SER  21           HG       SER  21  -8.807  -3.068   3.578
  Start of MODEL    1
  169    H    SER  21           HN       SER  21  -6.108  -1.082   0.701
  Start of MODEL    1
  170    HB3  SER  21           HB1      SER  21  -7.300  -1.793   2.760
  Start of MODEL    1
  171    HA   TYR  22           HA       TYR  22 -10.676   0.924   2.851
  Start of MODEL    1
  172    HB2  TYR  22           HB2      TYR  22  -8.993   1.911   4.214
  Start of MODEL    1
  173    HD1  TYR  22           HD1      TYR  22 -11.191   2.744   5.055
  Start of MODEL    1
  174    HD2  TYR  22           HD2      TYR  22  -8.950   4.839   2.108
  Start of MODEL    1
  175    HE1  TYR  22           HE1      TYR  22 -12.489   4.779   5.521
  Start of MODEL    1
  176    HE2  TYR  22           HE2      TYR  22 -10.244   6.879   2.565
  Start of MODEL    1
  177    HH   TYR  22           HH       TYR  22 -12.276   7.195   5.278
  Start of MODEL    1
  178    H    TYR  22           HN       TYR  22  -7.987   0.459   2.214
  Start of MODEL    1
  179    HB3  TYR  22           HB1      TYR  22  -8.237   2.700   2.836
  Start of MODEL    1
  180    HA   TRP  23           HA       TRP  23 -10.273   4.094  -0.789
  Start of MODEL    1
  181    HB2  TRP  23           HB2      TRP  23  -7.921   3.466  -1.504
  Start of MODEL    1
  182    HD1  TRP  23           HD1      TRP  23  -8.192   5.992  -2.274
  Start of MODEL    1
  183    HE1  TRP  23           HE1      TRP  23  -8.894   7.054  -4.510
  Start of MODEL    1
  184    HE3  TRP  23           HE3      TRP  23 -10.213   1.875  -4.525
  Start of MODEL    1
  185    HZ2  TRP  23           HZ2      TRP  23 -10.137   6.251  -6.911
  Start of MODEL    1
  186    HZ3  TRP  23           HZ3      TRP  23 -11.138   2.106  -6.793
  Start of MODEL    1
  187    HH2  TRP  23           HH2      TRP  23 -11.100   4.249  -7.960
  Start of MODEL    1
  188    H    TRP  23           HN       TRP  23  -8.659   2.071   0.212
  Start of MODEL    1
  189    HB3  TRP  23           HB1      TRP  23  -8.655   2.220  -2.509
  Start of MODEL    1
  190    HA   LEU  24           HA       LEU  24 -12.415   1.133  -3.738
  Start of MODEL    1
  191    HB2  LEU  24           HB2      LEU  24 -12.205  -1.191  -4.272
  Start of MODEL    1
  192    HG   LEU  24           HG       LEU  24 -10.642  -1.400  -1.753
  Start of MODEL    1
  193   HD13  LEU  24          HD11      LEU  24 -12.890  -2.317  -1.903
  Start of MODEL    1
  194   HD12  LEU  24          HD12      LEU  24 -11.703  -3.606  -1.707
  Start of MODEL    1
  195   HD11  LEU  24          HD13      LEU  24 -12.413  -3.294  -3.290
  Start of MODEL    1
  196   HD23  LEU  24          HD21      LEU  24 -10.027  -2.998  -4.233
  Start of MODEL    1
  197   HD22  LEU  24          HD22      LEU  24  -9.453  -3.377  -2.609
  Start of MODEL    1
  198   HD21  LEU  24          HD23      LEU  24  -8.940  -1.886  -3.400
  Start of MODEL    1
  199    H    LEU  24           HN       LEU  24 -10.055   0.830  -2.226
  Start of MODEL    1
  200    HB3  LEU  24           HB1      LEU  24 -10.607  -0.472  -4.261
  Start of MODEL    1
  201    HA   SER  25           HA       SER  25 -14.174  -1.315   0.045
  Start of MODEL    1
  202    HB2  SER  25           HB2      SER  25 -12.400  -1.239   1.682
  Start of MODEL    1
  203    HG   SER  25           HG       SER  25 -14.716  -1.267   2.383
  Start of MODEL    1
  204    H    SER  25           HN       SER  25 -11.851   0.150  -0.466
  Start of MODEL    1
  205    HB3  SER  25           HB1      SER  25 -12.583   0.505   1.865
  Start of MODEL    1
  206    HA   ARG  26           HA       ARG  26 -16.082   2.967   0.831
  Start of MODEL    1
  207    HB2  ARG  26           HB2      ARG  26 -13.846   4.151  -0.640
  Start of MODEL    1
  208    HG2  ARG  26           HG2      ARG  26 -14.367   6.101   0.814
  Start of MODEL    1
  209    HD2  ARG  26           HD2      ARG  26 -12.828   4.263   1.503
  Start of MODEL    1
  210    HE   ARG  26           HE       ARG  26 -13.893   2.358   2.176
  Start of MODEL    1
  211   HH11  ARG  26          HH11      ARG  26 -15.462   5.108   3.628
  Start of MODEL    1
  212   HH12  ARG  26          HH12      ARG  26 -16.507   4.149   4.622
  Start of MODEL    1
  213   HH21  ARG  26          HH21      ARG  26 -15.268   1.088   3.478
  Start of MODEL    1
  214   HH22  ARG  26          HH22      ARG  26 -16.397   1.866   4.537
  Start of MODEL    1
  215    H    ARG  26           HN       ARG  26 -13.653   2.082  -0.368
  Start of MODEL    1
  216    HB3  ARG  26           HB1      ARG  26 -15.388   4.926  -0.970
  Start of MODEL    1
  217    HG3  ARG  26           HG1      ARG  26 -15.701   5.170   1.497
  Start of MODEL    1
  218    HD3  ARG  26           HD1      ARG  26 -13.592   5.123   2.838
  Start of MODEL    1
  219    HA   ARG  27           HA       ARG  27 -17.191   2.943  -3.918
  Start of MODEL    1
  220    HB2  ARG  27           HB2      ARG  27 -15.497   0.495  -4.067
  Start of MODEL    1
  221    HG2  ARG  27           HG2      ARG  27 -14.749   1.392  -6.150
  Start of MODEL    1
  222    HD2  ARG  27           HD2      ARG  27 -13.919   2.416  -3.958
  Start of MODEL    1
  223    HE   ARG  27           HE       ARG  27 -16.040   4.184  -4.350
  Start of MODEL    1
  224   HH11  ARG  27          HH11      ARG  27 -12.621   4.289  -3.701
  Start of MODEL    1
  225   HH12  ARG  27          HH12      ARG  27 -12.702   5.787  -2.836
  Start of MODEL    1
  226   HH21  ARG  27          HH21      ARG  27 -16.157   6.154  -3.218
  Start of MODEL    1
  227   HH22  ARG  27          HH22      ARG  27 -14.713   6.847  -2.561
  Start of MODEL    1
  228    H    ARG  27           HN       ARG  27 -15.138   1.943  -2.372
  Start of MODEL    1
  229    HB3  ARG  27           HB1      ARG  27 -16.870   0.624  -5.153
  Start of MODEL    1
  230    HG3  ARG  27           HG1      ARG  27 -15.997   2.638  -6.116
  Start of MODEL    1
  231    HD3  ARG  27           HD1      ARG  27 -13.616   3.306  -5.449
  Start of MODEL    1
  232    HA   ASN  28           HA       ASN  28 -19.999  -0.069  -1.927
  Start of MODEL    1
  233    HB2  ASN  28           HB2      ASN  28 -19.754  -1.078  -4.176
  Start of MODEL    1
  234   HD21  ASN  28          HD21      ASN  28 -21.945  -1.051  -3.849
  Start of MODEL    1
  235   HD22  ASN  28          HD22      ASN  28 -22.808  -2.394  -3.189
  Start of MODEL    1
  236    H    ASN  28           HN       ASN  28 -17.131  -0.264  -2.369
  Start of MODEL    1
  237    HB3  ASN  28           HB1      ASN  28 -18.777  -2.364  -3.471
  Start of MODEL    1
  238    HA   THR  29           HA       THR  29 -17.541  -2.717   0.981
  Start of MODEL    1
  239    HB   THR  29           HB       THR  29 -19.465  -4.120   0.365
  Start of MODEL    1
  240    HG1  THR  29           HG1      THR  29 -17.762  -4.698   2.059
  Start of MODEL    1
  241   HG22  THR  29          HG21      THR  29 -19.115  -6.205  -0.884
  Start of MODEL    1
  242   HG21  THR  29          HG22      THR  29 -17.438  -5.745  -1.178
  Start of MODEL    1
  243   HG23  THR  29          HG23      THR  29 -18.750  -4.792  -1.873
  Start of MODEL    1
  244    H    THR  29           HN       THR  29 -17.441  -2.541  -1.893
  Start of MODEL    1
  245    HA   LYS  30           HA       LYS  30 -14.016  -5.260  -0.231
  Start of MODEL    1
  246    HB2  LYS  30           HB2      LYS  30 -12.268  -4.578   1.400
  Start of MODEL    1
  247    HG2  LYS  30           HG2      LYS  30 -13.217  -2.677   2.974
  Start of MODEL    1
  248    HD2  LYS  30           HD2      LYS  30 -13.264  -4.337   4.832
  Start of MODEL    1
  249    HE2  LYS  30           HE2      LYS  30 -11.021  -4.611   2.838
  Start of MODEL    1
  250    HZ1  LYS  30           HZ1      LYS  30 -10.929  -6.335   4.521
  Start of MODEL    1
  251    HZ3  LYS  30           HZ2      LYS  30 -11.058  -5.181   5.751
  Start of MODEL    1
  252    HZ2  LYS  30           HZ3      LYS  30  -9.688  -5.210   4.758
  Start of MODEL    1
  253    H    LYS  30           HN       LYS  30 -16.137  -4.689   1.672
  Start of MODEL    1
  254    HB3  LYS  30           HB1      LYS  30 -13.214  -3.231   0.783
  Start of MODEL    1
  255    HG3  LYS  30           HG1      LYS  30 -14.633  -3.727   2.972
  Start of MODEL    1
  256    HD3  LYS  30           HD1      LYS  30 -13.133  -5.615   3.624
  Start of MODEL    1
  257    HE3  LYS  30           HE1      LYS  30 -11.146  -3.403   4.117
  Start of MODEL    2
  258    H1   MET   1           HT1      MET   1  25.720  -2.870  -1.079
  Start of MODEL    2
  259    H2   MET   1           HT2      MET   1  27.183  -2.104  -0.749
  Start of MODEL    2
  260    H3   MET   1           HT3      MET   1  26.672  -2.287  -2.343
  Start of MODEL    2
  261    HB3  MET   1           HB1      MET   1  26.024   1.244  -1.799
  Start of MODEL    2
  262    HA   MET   1           HA       MET   1  25.349  -0.644  -0.269
  Start of MODEL    2
  263    HG3  MET   1           HG1      MET   1  28.261  -0.376  -0.610
  Start of MODEL    2
  264    HB2  MET   1           HB2      MET   1  27.003   0.085  -2.688
  Start of MODEL    2
  265    HG2  MET   1           HG2      MET   1  27.350   0.911   0.177
  Start of MODEL    2
  266    HE2  MET   1           HE1      MET   1  28.435   4.034  -1.949
  Start of MODEL    2
  267    HE1  MET   1           HE2      MET   1  27.513   3.499  -0.551
  Start of MODEL    2
  268    HE3  MET   1           HE3      MET   1  27.035   2.986  -2.166
  Start of MODEL    2
  269    HA   LEU   2           HA       LEU   2  22.086  -0.729  -3.152
  Start of MODEL    2
  270    HB2  LEU   2           HB2      LEU   2  22.179  -3.675  -2.487
  Start of MODEL    2
  271    HG   LEU   2           HG       LEU   2  24.035  -2.873  -3.955
  Start of MODEL    2
  272   HD11  LEU   2          HD11      LEU   2  21.984  -4.672  -5.241
  Start of MODEL    2
  273   HD13  LEU   2          HD12      LEU   2  23.232  -5.162  -4.095
  Start of MODEL    2
  274   HD12  LEU   2          HD13      LEU   2  23.685  -4.572  -5.694
  Start of MODEL    2
  275   HD22  LEU   2          HD21      LEU   2  23.488  -2.180  -6.240
  Start of MODEL    2
  276   HD21  LEU   2          HD22      LEU   2  22.863  -1.039  -5.054
  Start of MODEL    2
  277   HD23  LEU   2          HD23      LEU   2  21.774  -2.184  -5.830
  Start of MODEL    2
  278    H    LEU   2           HN       LEU   2  23.430  -1.905  -0.833
  Start of MODEL    2
  279    HB3  LEU   2           HB1      LEU   2  21.034  -2.970  -3.611
  Start of MODEL    2
  280    HA   ILE   3           HA       ILE   3  19.576  -1.346   0.693
  Start of MODEL    2
  281    HB   ILE   3           HB       ILE   3  21.069   1.075   1.718
  Start of MODEL    2
  282   HG12  ILE   3          HG12      ILE   3  22.499  -0.900   1.653
  Start of MODEL    2
  283   HG22  ILE   3          HG21      ILE   3  19.967   0.581   3.856
  Start of MODEL    2
  284   HG21  ILE   3          HG22      ILE   3  19.026  -0.688   3.065
  Start of MODEL    2
  285   HG23  ILE   3          HG23      ILE   3  18.816   0.999   2.586
  Start of MODEL    2
  286   HD12  ILE   3          HD11      ILE   3  22.033  -2.865   3.012
  Start of MODEL    2
  287   HD11  ILE   3          HD12      ILE   3  20.889  -2.705   1.683
  Start of MODEL    2
  288   HD13  ILE   3          HD13      ILE   3  20.404  -2.265   3.321
  Start of MODEL    2
  289    H    ILE   3           HN       ILE   3  21.898  -0.012  -0.428
  Start of MODEL    2
  290   HG13  ILE   3          HG11      ILE   3  22.101  -0.483   3.315
  Start of MODEL    2
  291    HA   PHE   4           HA       PHE   4  17.782   2.884  -0.249
  Start of MODEL    2
  292    HB2  PHE   4           HB2      PHE   4  19.976   4.141  -0.571
  Start of MODEL    2
  293    HD1  PHE   4           HD1      PHE   4  17.900   5.209   0.669
  Start of MODEL    2
  294    HD2  PHE   4           HD2      PHE   4  18.651   5.486  -3.505
  Start of MODEL    2
  295    HE1  PHE   4           HE1      PHE   4  16.494   7.229   0.557
  Start of MODEL    2
  296    HE2  PHE   4           HE2      PHE   4  17.247   7.501  -3.630
  Start of MODEL    2
  297    HZ   PHE   4           HZ       PHE   4  16.085   8.323  -1.530
  Start of MODEL    2
  298    H    PHE   4           HN       PHE   4  20.327   1.701  -0.897
  Start of MODEL    2
  299    HB3  PHE   4           HB1      PHE   4  19.754   3.889  -2.301
  Start of MODEL    2
  300    HA   VAL   5           HA       VAL   5  15.353   1.433  -3.436
  Start of MODEL    2
  301    HB   VAL   5           HB       VAL   5  17.332   1.048  -4.816
  Start of MODEL    2
  302   HG13  VAL   5          HG11      VAL   5  18.596  -0.450  -3.407
  Start of MODEL    2
  303   HG12  VAL   5          HG12      VAL   5  18.362  -1.180  -4.994
  Start of MODEL    2
  304   HG11  VAL   5          HG13      VAL   5  17.394  -1.720  -3.624
  Start of MODEL    2
  305   HG23  VAL   5          HG21      VAL   5  15.325  -1.189  -5.117
  Start of MODEL    2
  306   HG22  VAL   5          HG22      VAL   5  16.434  -0.620  -6.362
  Start of MODEL    2
  307   HG21  VAL   5          HG23      VAL   5  15.166   0.446  -5.761
  Start of MODEL    2
  308    H    VAL   5           HN       VAL   5  16.948   0.730  -1.242
  Start of MODEL    2
  309    HA   HIS   6           HA       HIS   6  14.591  -2.915  -1.842
  Start of MODEL    2
  310    HB2  HIS   6           HB2      HIS   6  17.060  -2.941  -0.116
  Start of MODEL    2
  311    HD1  HIS   6           HD1      HIS   6  18.730  -3.190  -2.029
  Start of MODEL    2
  312    HD2  HIS   6           HD2      HIS   6  15.520  -5.828  -2.281
  Start of MODEL    2
  313    HE1  HIS   6           HE1      HIS   6  19.324  -4.815  -3.850
  Start of MODEL    2
  314    HE2  HIS   6           HE2      HIS   6  17.430  -6.472  -3.896
  Start of MODEL    2
  315    H    HIS   6           HN       HIS   6  16.831  -1.147  -1.576
  Start of MODEL    2
  316    HB3  HIS   6           HB1      HIS   6  15.805  -4.166   0.025
  Start of MODEL    2
  317    HA   ILE   7           HA       ILE   7  13.507  -1.063   2.254
  Start of MODEL    2
  318    HB   ILE   7           HB       ILE   7  15.848   0.276   2.349
  Start of MODEL    2
  319   HG12  ILE   7          HG12      ILE   7  14.539  -0.667   4.257
  Start of MODEL    2
  320   HG21  ILE   7          HG21      ILE   7  13.757   2.436   2.289
  Start of MODEL    2
  321   HG23  ILE   7          HG22      ILE   7  15.108   2.225   1.174
  Start of MODEL    2
  322   HG22  ILE   7          HG23      ILE   7  15.411   2.653   2.858
  Start of MODEL    2
  323   HD13  ILE   7          HD11      ILE   7  13.269   2.050   4.417
  Start of MODEL    2
  324   HD12  ILE   7          HD12      ILE   7  13.113   0.733   5.582
  Start of MODEL    2
  325   HD11  ILE   7          HD13      ILE   7  12.438   0.563   3.961
  Start of MODEL    2
  326    H    ILE   7           HN       ILE   7  15.333  -0.250   0.132
  Start of MODEL    2
  327   HG13  ILE   7          HG11      ILE   7  15.355   0.843   4.632
  Start of MODEL    2
  328    HA   ILE   8           HA       ILE   8  11.270   2.311  -0.014
  Start of MODEL    2
  329    HB   ILE   8           HB       ILE   8  12.331   1.605  -2.755
  Start of MODEL    2
  330   HG12  ILE   8          HG12      ILE   8  13.134   3.825  -0.858
  Start of MODEL    2
  331   HG22  ILE   8          HG21      ILE   8  11.392   3.734  -3.461
  Start of MODEL    2
  332   HG21  ILE   8          HG22      ILE   8  10.794   4.038  -1.831
  Start of MODEL    2
  333   HG23  ILE   8          HG23      ILE   8  10.130   2.708  -2.778
  Start of MODEL    2
  334   HD12  ILE   8          HD11      ILE   8  14.860   4.370  -2.506
  Start of MODEL    2
  335   HD11  ILE   8          HD12      ILE   8  13.234   4.654  -3.122
  Start of MODEL    2
  336   HD13  ILE   8          HD13      ILE   8  14.129   3.226  -3.631
  Start of MODEL    2
  337    H    ILE   8           HN       ILE   8  13.222   0.264  -0.743
  Start of MODEL    2
  338   HG13  ILE   8          HG11      ILE   8  14.116   2.435  -1.299
  Start of MODEL    2
  339    HA   ALA   9           HA       ALA   9   8.561   0.148  -3.040
  Start of MODEL    2
  340    HB3  ALA   9           HB1      ALA   9  10.064  -0.439  -4.849
  Start of MODEL    2
  341    HB2  ALA   9           HB2      ALA   9   8.763  -1.617  -4.685
  Start of MODEL    2
  342    HB1  ALA   9           HB3      ALA   9  10.378  -2.004  -4.099
  Start of MODEL    2
  343    H    ALA   9           HN       ALA   9  11.337  -0.131  -2.626
  Start of MODEL    2
  344    HA   PRO  10           HA       PRO  10   7.843  -4.214  -1.239
  Start of MODEL    2
  345    HB2  PRO  10           HB2      PRO  10   9.749  -5.507   0.156
  Start of MODEL    2
  346    HG2  PRO  10           HG2      PRO  10  11.448  -3.936   0.107
  Start of MODEL    2
  347    HD2  PRO  10           HD2      PRO  10  11.368  -2.133  -1.296
  Start of MODEL    2
  348    HB3  PRO  10           HB1      PRO  10   9.640  -5.596  -1.607
  Start of MODEL    2
  349    HG3  PRO  10           HG1      PRO  10  11.818  -4.828  -1.380
  Start of MODEL    2
  350    HD3  PRO  10           HD1      PRO  10  11.052  -3.138  -2.723
  Start of MODEL    2
  351    HA   VAL  11           HA       VAL  11   7.984  -2.514   2.962
  Start of MODEL    2
  352    HB   VAL  11           HB       VAL  11   9.641  -0.065   2.324
  Start of MODEL    2
  353   HG11  VAL  11          HG11      VAL  11   8.780  -1.215   4.974
  Start of MODEL    2
  354   HG13  VAL  11          HG12      VAL  11   8.213   0.296   4.260
  Start of MODEL    2
  355   HG12  VAL  11          HG13      VAL  11   9.899   0.130   4.757
  Start of MODEL    2
  356   HG21  VAL  11          HG21      VAL  11  10.887  -2.156   2.045
  Start of MODEL    2
  357   HG23  VAL  11          HG22      VAL  11  10.423  -2.642   3.675
  Start of MODEL    2
  358   HG22  VAL  11          HG23      VAL  11  11.463  -1.241   3.435
  Start of MODEL    2
  359    H    VAL  11           HN       VAL  11   8.839  -1.545   0.311
  Start of MODEL    2
  360    HA   ILE  12           HA       ILE  12   5.758   1.611   2.299
  Start of MODEL    2
  361    HB   ILE  12           HB       ILE  12   6.527   2.004  -0.602
  Start of MODEL    2
  362   HG12  ILE  12          HG12      ILE  12   7.333   3.575   1.856
  Start of MODEL    2
  363   HG23  ILE  12          HG21      ILE  12   4.275   2.834  -0.116
  Start of MODEL    2
  364   HG22  ILE  12          HG22      ILE  12   5.393   4.164  -0.424
  Start of MODEL    2
  365   HG21  ILE  12          HG23      ILE  12   4.913   3.781   1.230
  Start of MODEL    2
  366   HD13  ILE  12          HD11      ILE  12   8.263   3.814  -0.992
  Start of MODEL    2
  367   HD12  ILE  12          HD12      ILE  12   8.947   4.668   0.390
  Start of MODEL    2
  368   HD11  ILE  12          HD13      ILE  12   7.286   4.989  -0.114
  Start of MODEL    2
  369    H    ILE  12           HN       ILE  12   7.842   0.363   0.842
  Start of MODEL    2
  370   HG13  ILE  12          HG11      ILE  12   8.361   2.418   1.021
  Start of MODEL    2
  371    HA   SER  13           HA       SER  13   3.047  -0.459  -1.057
  Start of MODEL    2
  372    HB2  SER  13           HB2      SER  13   4.766  -1.449  -2.550
  Start of MODEL    2
  373    HG   SER  13           HG       SER  13   2.682  -3.245  -1.844
  Start of MODEL    2
  374    H    SER  13           HN       SER  13   5.790  -0.690  -0.354
  Start of MODEL    2
  375    HB3  SER  13           HB1      SER  13   4.921  -2.810  -1.448
  Start of MODEL    2
  376    HA2  GLY  14           HA2      GLY  14   2.726  -3.920   2.175
  Start of MODEL    2
  377    H    GLY  14           HN       GLY  14   4.513  -1.723   1.693
  Start of MODEL    2
  378    HA3  GLY  14           HA1      GLY  14   3.856  -3.217   3.324
  Start of MODEL    2
  379    HA   CYS  15           HA       CYS  15   0.650  -0.906   5.057
  Start of MODEL    2
  380    HB2  CYS  15           HB2      CYS  15   1.061   1.587   5.452
  Start of MODEL    2
  381    HG   CYS  15           HG       CYS  15   2.477   2.332   3.146
  Start of MODEL    2
  382    H    CYS  15           HN       CYS  15   3.055  -0.641   3.502
  Start of MODEL    2
  383    HB3  CYS  15           HB1      CYS  15   2.301   0.480   6.027
  Start of MODEL    2
  384    HA   ALA  16           HA       ALA  16  -0.668   1.779   1.320
  Start of MODEL    2
  385    HB1  ALA  16           HB1      ALA  16   0.808  -0.052  -0.566
  Start of MODEL    2
  386    HB3  ALA  16           HB2      ALA  16   1.309   1.572  -0.100
  Start of MODEL    2
  387    HB2  ALA  16           HB3      ALA  16  -0.169   1.339  -1.034
  Start of MODEL    2
  388    H    ALA  16           HN       ALA  16   1.420  -0.048   1.865
  Start of MODEL    2
  389    HA   ILE  17           HA       ILE  17  -2.815  -2.432   0.235
  Start of MODEL    2
  390    HB   ILE  17           HB       ILE  17  -1.999  -3.437   2.962
  Start of MODEL    2
  391   HG12  ILE  17          HG12      ILE  17  -0.159  -3.605   1.391
  Start of MODEL    2
  392   HG23  ILE  17          HG21      ILE  17  -4.249  -4.147   2.404
  Start of MODEL    2
  393   HG22  ILE  17          HG22      ILE  17  -3.130  -5.511   2.362
  Start of MODEL    2
  394   HG21  ILE  17          HG23      ILE  17  -3.680  -4.773   0.857
  Start of MODEL    2
  395   HD12  ILE  17          HD11      ILE  17  -0.295  -4.972  -0.629
  Start of MODEL    2
  396   HD11  ILE  17          HD12      ILE  17  -1.296  -3.521  -0.740
  Start of MODEL    2
  397   HD13  ILE  17          HD13      ILE  17  -2.045  -5.088  -0.424
  Start of MODEL    2
  398    H    ILE  17           HN       ILE  17  -0.642  -1.604   1.787
  Start of MODEL    2
  399   HG13  ILE  17          HG11      ILE  17  -0.815  -5.207   1.708
  Start of MODEL    2
  400    HA   ALA  18           HA       ALA  18  -5.540  -1.201   3.916
  Start of MODEL    2
  401    HB3  ALA  18           HB1      ALA  18  -3.976  -1.043   5.786
  Start of MODEL    2
  402    HB2  ALA  18           HB2      ALA  18  -5.159   0.262   5.839
  Start of MODEL    2
  403    HB1  ALA  18           HB3      ALA  18  -3.519   0.582   5.279
  Start of MODEL    2
  404    H    ALA  18           HN       ALA  18  -2.722  -0.972   3.474
  Start of MODEL    2
  405    HA   PHE  19           HA       PHE  19  -5.291   3.313   2.394
  Start of MODEL    2
  406    HB2  PHE  19           HB2      PHE  19  -2.837   3.579   2.185
  Start of MODEL    2
  407    HD1  PHE  19           HD1      PHE  19  -3.843   5.826   2.433
  Start of MODEL    2
  408    HD2  PHE  19           HD2      PHE  19  -3.522   3.903  -1.357
  Start of MODEL    2
  409    HE1  PHE  19           HE1      PHE  19  -4.189   7.986   1.307
  Start of MODEL    2
  410    HE2  PHE  19           HE2      PHE  19  -3.866   6.067  -2.482
  Start of MODEL    2
  411    HZ   PHE  19           HZ       PHE  19  -4.202   8.105  -1.151
  Start of MODEL    2
  412    H    PHE  19           HN       PHE  19  -3.451   1.144   2.448
  Start of MODEL    2
  413    HB3  PHE  19           HB1      PHE  19  -2.893   2.749   0.637
  Start of MODEL    2
  414    HA   PHE  20           HA       PHE  20  -6.108   1.634  -1.981
  Start of MODEL    2
  415    HB2  PHE  20           HB2      PHE  20  -4.180   0.216  -2.427
  Start of MODEL    2
  416    HD1  PHE  20           HD1      PHE  20  -6.233  -2.679  -2.372
  Start of MODEL    2
  417    HD2  PHE  20           HD2      PHE  20  -5.472   0.915  -4.522
  Start of MODEL    2
  418    HE1  PHE  20           HE1      PHE  20  -7.355  -3.628  -4.338
  Start of MODEL    2
  419    HE2  PHE  20           HE2      PHE  20  -6.594  -0.027  -6.495
  Start of MODEL    2
  420    HZ   PHE  20           HZ       PHE  20  -7.513  -2.279  -6.434
  Start of MODEL    2
  421    H    PHE  20           HN       PHE  20  -4.391   0.769   0.107
  Start of MODEL    2
  422    HB3  PHE  20           HB1      PHE  20  -4.856  -1.068  -1.436
  Start of MODEL    2
  423    HA   SER  21           HA       SER  21  -8.955  -1.754  -0.331
  Start of MODEL    2
  424    HB2  SER  21           HB2      SER  21  -9.156  -2.646   2.074
  Start of MODEL    2
  425    HG   SER  21           HG       SER  21  -6.439  -1.958   2.276
  Start of MODEL    2
  426    H    SER  21           HN       SER  21  -6.491  -0.730   0.648
  Start of MODEL    2
  427    HB3  SER  21           HB1      SER  21  -7.784  -3.200   1.115
  Start of MODEL    2
  428    HA   TYR  22           HA       TYR  22 -10.732   1.452   2.692
  Start of MODEL    2
  429    HB2  TYR  22           HB2      TYR  22  -8.566   2.395   3.605
  Start of MODEL    2
  430    HD1  TYR  22           HD1      TYR  22 -10.492   2.434   5.218
  Start of MODEL    2
  431    HD2  TYR  22           HD2      TYR  22  -9.857   5.521   2.368
  Start of MODEL    2
  432    HE1  TYR  22           HE1      TYR  22 -11.937   3.923   6.524
  Start of MODEL    2
  433    HE2  TYR  22           HE2      TYR  22 -11.303   7.024   3.665
  Start of MODEL    2
  434    HH   TYR  22           HH       TYR  22 -12.340   6.288   6.845
  Start of MODEL    2
  435    H    TYR  22           HN       TYR  22  -8.120   0.975   1.666
  Start of MODEL    2
  436    HB3  TYR  22           HB1      TYR  22  -8.571   3.526   2.259
  Start of MODEL    2
  437    HA   TRP  23           HA       TRP  23 -11.033   4.120  -1.183
  Start of MODEL    2
  438    HB2  TRP  23           HB2      TRP  23  -8.722   3.824  -2.116
  Start of MODEL    2
  439    HD1  TRP  23           HD1      TRP  23 -10.103   6.148  -2.848
  Start of MODEL    2
  440    HE1  TRP  23           HE1      TRP  23 -10.870   6.862  -5.191
  Start of MODEL    2
  441    HE3  TRP  23           HE3      TRP  23 -10.066   1.568  -5.111
  Start of MODEL    2
  442    HZ2  TRP  23           HZ2      TRP  23 -11.396   5.634  -7.688
  Start of MODEL    2
  443    HZ3  TRP  23           HZ3      TRP  23 -10.718   1.421  -7.482
  Start of MODEL    2
  444    HH2  TRP  23           HH2      TRP  23 -11.374   3.402  -8.738
  Start of MODEL    2
  445    H    TRP  23           HN       TRP  23  -9.247   2.023  -0.366
  Start of MODEL    2
  446    HB3  TRP  23           HB1      TRP  23  -9.289   2.370  -2.932
  Start of MODEL    2
  447    HA   LEU  24           HA       LEU  24 -13.097   0.556  -3.424
  Start of MODEL    2
  448    HB2  LEU  24           HB2      LEU  24 -12.907  -1.899  -3.203
  Start of MODEL    2
  449    HG   LEU  24           HG       LEU  24 -10.783  -1.249  -1.203
  Start of MODEL    2
  450   HD12  LEU  24          HD11      LEU  24 -11.686  -3.233  -0.087
  Start of MODEL    2
  451   HD11  LEU  24          HD12      LEU  24 -12.851  -3.430  -1.399
  Start of MODEL    2
  452   HD13  LEU  24          HD13      LEU  24 -12.921  -2.006  -0.360
  Start of MODEL    2
  453   HD22  LEU  24          HD21      LEU  24  -9.783  -3.454  -1.591
  Start of MODEL    2
  454   HD21  LEU  24          HD22      LEU  24  -9.598  -2.385  -2.979
  Start of MODEL    2
  455   HD23  LEU  24          HD23      LEU  24 -10.814  -3.661  -3.007
  Start of MODEL    2
  456    H    LEU  24           HN       LEU  24 -10.765   0.632  -1.782
  Start of MODEL    2
  457    HB3  LEU  24           HB1      LEU  24 -11.429  -1.128  -3.732
  Start of MODEL    2
  458    HA   SER  25           HA       SER  25 -14.923  -0.481   0.880
  Start of MODEL    2
  459    HB2  SER  25           HB2      SER  25 -13.090   0.303   2.335
  Start of MODEL    2
  460    HG   SER  25           HG       SER  25 -15.704   1.244   2.868
  Start of MODEL    2
  461    H    SER  25           HN       SER  25 -12.681   0.934  -0.121
  Start of MODEL    2
  462    HB3  SER  25           HB1      SER  25 -13.551   1.975   2.010
  Start of MODEL    2
  463    HA   ARG  26           HA       ARG  26 -17.013   3.669  -0.148
  Start of MODEL    2
  464    HB2  ARG  26           HB2      ARG  26 -15.631   3.738  -2.838
  Start of MODEL    2
  465    HG2  ARG  26           HG2      ARG  26 -14.184   4.468  -0.989
  Start of MODEL    2
  466    HD2  ARG  26           HD2      ARG  26 -16.025   5.241   0.507
  Start of MODEL    2
  467    HE   ARG  26           HE       ARG  26 -16.451   7.195  -1.561
  Start of MODEL    2
  468   HH11  ARG  26          HH11      ARG  26 -16.848   6.472   1.843
  Start of MODEL    2
  469   HH12  ARG  26          HH12      ARG  26 -18.130   7.619   2.072
  Start of MODEL    2
  470   HH21  ARG  26          HH21      ARG  26 -18.132   8.710  -1.275
  Start of MODEL    2
  471   HH22  ARG  26          HH22      ARG  26 -18.880   8.871   0.281
  Start of MODEL    2
  472    H    ARG  26           HN       ARG  26 -14.728   2.236  -1.099
  Start of MODEL    2
  473    HB3  ARG  26           HB1      ARG  26 -16.864   4.872  -2.304
  Start of MODEL    2
  474    HG3  ARG  26           HG1      ARG  26 -14.596   5.783  -2.091
  Start of MODEL    2
  475    HD3  ARG  26           HD1      ARG  26 -14.706   6.396   0.330
  Start of MODEL    2
  476    HA   ARG  27           HA       ARG  27 -19.223   1.075  -3.317
  Start of MODEL    2
  477    HB2  ARG  27           HB2      ARG  27 -17.123  -1.083  -3.364
  Start of MODEL    2
  478    HG2  ARG  27           HG2      ARG  27 -17.405  -0.734  -5.870
  Start of MODEL    2
  479    HD2  ARG  27           HD2      ARG  27 -16.259   1.584  -4.321
  Start of MODEL    2
  480    HE   ARG  27           HE       ARG  27 -16.090   1.912  -6.700
  Start of MODEL    2
  481   HH11  ARG  27          HH11      ARG  27 -14.256  -0.801  -5.465
  Start of MODEL    2
  482   HH12  ARG  27          HH12      ARG  27 -13.105  -0.779  -6.763
  Start of MODEL    2
  483   HH21  ARG  27          HH21      ARG  27 -14.590   1.933  -8.410
  Start of MODEL    2
  484   HH22  ARG  27          HH22      ARG  27 -13.287   0.787  -8.434
  Start of MODEL    2
  485    H    ARG  27           HN       ARG  27 -16.588   0.887  -2.134
  Start of MODEL    2
  486    HB3  ARG  27           HB1      ARG  27 -18.721  -1.316  -4.051
  Start of MODEL    2
  487    HG3  ARG  27           HG1      ARG  27 -18.220   0.770  -5.444
  Start of MODEL    2
  488    HD3  ARG  27           HD1      ARG  27 -15.449   0.033  -4.523
  Start of MODEL    2
  489    HA   ASN  28           HA       ASN  28 -20.205  -1.343   0.403
  Start of MODEL    2
  490    HB2  ASN  28           HB2      ASN  28 -19.597  -3.345  -0.895
  Start of MODEL    2
  491   HD21  ASN  28          HD21      ASN  28 -18.227  -5.337   0.894
  Start of MODEL    2
  492   HD22  ASN  28          HD22      ASN  28 -19.407  -5.684   2.112
  Start of MODEL    2
  493    H    ASN  28           HN       ASN  28 -17.602  -0.723  -0.773
  Start of MODEL    2
  494    HB3  ASN  28           HB1      ASN  28 -18.035  -3.408  -0.090
  Start of MODEL    2
  495    HA   THR  29           HA       THR  29 -16.037  -0.662   2.868
  Start of MODEL    2
  496    HB   THR  29           HB       THR  29 -17.917  -1.164   4.350
  Start of MODEL    2
  497    HG1  THR  29           HG1      THR  29 -15.428  -1.209   5.025
  Start of MODEL    2
  498   HG23  THR  29          HG21      THR  29 -18.481  -3.411   3.629
  Start of MODEL    2
  499   HG22  THR  29          HG22      THR  29 -18.193  -3.389   5.371
  Start of MODEL    2
  500   HG21  THR  29          HG23      THR  29 -16.962  -4.028   4.276
  Start of MODEL    2
  501    H    THR  29           HN       THR  29 -16.955  -2.493   1.060
  Start of MODEL    2
  502    HA   LYS  30           HA       LYS  30 -13.618  -4.382   1.796
  Start of MODEL    2
  503    HB2  LYS  30           HB2      LYS  30 -15.129  -5.987   3.868
  Start of MODEL    2
  504    HG2  LYS  30           HG2      LYS  30 -13.887  -4.000   4.676
  Start of MODEL    2
  505    HD2  LYS  30           HD2      LYS  30 -11.404  -5.498   3.881
  Start of MODEL    2
  506    HE2  LYS  30           HE2      LYS  30 -10.315  -3.371   4.398
  Start of MODEL    2
  507    HZ1  LYS  30           HZ1      LYS  30 -12.016  -4.446   6.576
  Start of MODEL    2
  508    HZ3  LYS  30           HZ2      LYS  30 -10.721  -3.388   6.814
  Start of MODEL    2
  509    HZ2  LYS  30           HZ3      LYS  30 -10.446  -4.929   6.183
  Start of MODEL    2
  510    H    LYS  30           HN       LYS  30 -16.458  -4.103   2.276
  Start of MODEL    2
  511    HB3  LYS  30           HB1      LYS  30 -13.647  -6.570   3.127
  Start of MODEL    2
  512    HG3  LYS  30           HG1      LYS  30 -13.286  -5.525   5.329
  Start of MODEL    2
  513    HD3  LYS  30           HD1      LYS  30 -12.073  -4.173   2.926
  Start of MODEL    2
  514    HE3  LYS  30           HE1      LYS  30 -11.873  -2.688   4.865
  Start of MODEL    3
  515    H1   MET   1           HT1      MET   1  23.835   5.503  -0.839
  Start of MODEL    3
  516    H2   MET   1           HT2      MET   1  24.083   6.889  -1.770
  Start of MODEL    3
  517    H3   MET   1           HT3      MET   1  25.342   5.789  -1.535
  Start of MODEL    3
  518    HB3  MET   1           HB1      MET   1  25.669   5.452  -4.061
  Start of MODEL    3
  519    HA   MET   1           HA       MET   1  22.837   5.247  -2.997
  Start of MODEL    3
  520    HG3  MET   1           HG1      MET   1  24.047   4.109  -5.392
  Start of MODEL    3
  521    HB2  MET   1           HB2      MET   1  24.514   6.777  -4.105
  Start of MODEL    3
  522    HG2  MET   1           HG2      MET   1  24.719   5.504  -6.233
  Start of MODEL    3
  523    HE3  MET   1           HE1      MET   1  22.802   5.339  -8.076
  Start of MODEL    3
  524    HE2  MET   1           HE2      MET   1  21.081   5.317  -7.697
  Start of MODEL    3
  525    HE1  MET   1           HE3      MET   1  22.096   3.945  -7.257
  Start of MODEL    3
  526    HA   LEU   2           HA       LEU   2  24.194   1.144  -2.457
  Start of MODEL    3
  527    HB2  LEU   2           HB2      LEU   2  24.422   1.997   0.413
  Start of MODEL    3
  528    HG   LEU   2           HG       LEU   2  26.230   2.778  -1.088
  Start of MODEL    3
  529   HD13  LEU   2          HD11      LEU   2  26.682   2.394   1.259
  Start of MODEL    3
  530   HD12  LEU   2          HD12      LEU   2  28.074   1.916   0.292
  Start of MODEL    3
  531   HD11  LEU   2          HD13      LEU   2  26.994   0.688   0.946
  Start of MODEL    3
  532   HD21  LEU   2          HD21      LEU   2  26.231   0.978  -2.722
  Start of MODEL    3
  533   HD23  LEU   2          HD22      LEU   2  26.724  -0.178  -1.483
  Start of MODEL    3
  534   HD22  LEU   2          HD23      LEU   2  27.819   1.117  -1.969
  Start of MODEL    3
  535    H    LEU   2           HN       LEU   2  22.818   3.444  -1.310
  Start of MODEL    3
  536    HB3  LEU   2           HB1      LEU   2  24.732   0.350  -0.103
  Start of MODEL    3
  537    HA   ILE   3           HA       ILE   3  21.077  -0.900  -0.017
  Start of MODEL    3
  538    HB   ILE   3           HB       ILE   3  21.228   0.559   2.628
  Start of MODEL    3
  539   HG12  ILE   3          HG12      ILE   3  23.483   0.087   1.755
  Start of MODEL    3
  540   HG21  ILE   3          HG21      ILE   3  20.609  -2.322   1.967
  Start of MODEL    3
  541   HG23  ILE   3          HG22      ILE   3  19.486  -1.119   2.603
  Start of MODEL    3
  542   HG22  ILE   3          HG23      ILE   3  20.833  -1.678   3.593
  Start of MODEL    3
  543   HD12  ILE   3          HD11      ILE   3  24.290  -2.165   1.444
  Start of MODEL    3
  544   HD11  ILE   3          HD12      ILE   3  22.994  -1.816   0.299
  Start of MODEL    3
  545   HD13  ILE   3          HD13      ILE   3  22.673  -2.806   1.722
  Start of MODEL    3
  546    H    ILE   3           HN       ILE   3  22.267   1.732   0.520
  Start of MODEL    3
  547   HG13  ILE   3          HG11      ILE   3  23.121  -0.903   3.166
  Start of MODEL    3
  548    HA   PHE   4           HA       PHE   4  17.630   2.131   1.254
  Start of MODEL    3
  549    HB2  PHE   4           HB2      PHE   4  17.104   4.326   0.171
  Start of MODEL    3
  550    HD1  PHE   4           HD1      PHE   4  20.475   5.251   0.230
  Start of MODEL    3
  551    HD2  PHE   4           HD2      PHE   4  17.443   3.838  -2.400
  Start of MODEL    3
  552    HE1  PHE   4           HE1      PHE   4  21.712   6.162  -1.687
  Start of MODEL    3
  553    HE2  PHE   4           HE2      PHE   4  18.682   4.746  -4.317
  Start of MODEL    3
  554    HZ   PHE   4           HZ       PHE   4  20.813   5.917  -3.963
  Start of MODEL    3
  555    H    PHE   4           HN       PHE   4  20.131   2.358  -0.055
  Start of MODEL    3
  556    HB3  PHE   4           HB1      PHE   4  18.580   4.306   1.126
  Start of MODEL    3
  557    HA   VAL   5           HA       VAL   5  16.136   1.278  -3.145
  Start of MODEL    3
  558    HB   VAL   5           HB       VAL   5  18.130  -0.979  -3.421
  Start of MODEL    3
  559   HG12  VAL   5          HG11      VAL   5  17.304  -1.157  -5.726
  Start of MODEL    3
  560   HG11  VAL   5          HG12      VAL   5  16.061   0.042  -5.366
  Start of MODEL    3
  561   HG13  VAL   5          HG13      VAL   5  16.049  -1.519  -4.542
  Start of MODEL    3
  562   HG21  VAL   5          HG21      VAL   5  19.224   1.157  -3.642
  Start of MODEL    3
  563   HG23  VAL   5          HG22      VAL   5  17.989   1.717  -4.767
  Start of MODEL    3
  564   HG22  VAL   5          HG23      VAL   5  19.082   0.414  -5.233
  Start of MODEL    3
  565    H    VAL   5           HN       VAL   5  18.498   0.764  -1.618
  Start of MODEL    3
  566    HA   HIS   6           HA       HIS   6  14.534  -2.732  -1.666
  Start of MODEL    3
  567    HB2  HIS   6           HB2      HIS   6  16.437  -4.205  -2.309
  Start of MODEL    3
  568    HD1  HIS   6           HD1      HIS   6  14.118  -5.453  -2.639
  Start of MODEL    3
  569    HD2  HIS   6           HD2      HIS   6  15.880  -5.900   1.088
  Start of MODEL    3
  570    HE1  HIS   6           HE1      HIS   6  12.946  -7.402  -1.573
  Start of MODEL    3
  571    HE2  HIS   6           HE2      HIS   6  13.845  -7.468   0.780
  Start of MODEL    3
  572    H    HIS   6           HN       HIS   6  17.265  -1.761  -1.617
  Start of MODEL    3
  573    HB3  HIS   6           HB1      HIS   6  17.026  -4.116  -0.656
  Start of MODEL    3
  574    HA   ILE   7           HA       ILE   7  13.528  -2.020   2.397
  Start of MODEL    3
  575    HB   ILE   7           HB       ILE   7  15.805  -1.295   2.899
  Start of MODEL    3
  576   HG12  ILE   7          HG12      ILE   7  13.752   0.514   4.194
  Start of MODEL    3
  577   HG22  ILE   7          HG21      ILE   7  16.449   1.063   2.849
  Start of MODEL    3
  578   HG21  ILE   7          HG22      ILE   7  14.885   1.471   2.144
  Start of MODEL    3
  579   HG23  ILE   7          HG23      ILE   7  16.025   0.476   1.239
  Start of MODEL    3
  580   HD12  ILE   7          HD11      ILE   7  15.147   0.451   6.161
  Start of MODEL    3
  581   HD11  ILE   7          HD12      ILE   7  16.021   1.159   4.802
  Start of MODEL    3
  582   HD13  ILE   7          HD13      ILE   7  16.353  -0.501   5.297
  Start of MODEL    3
  583    H    ILE   7           HN       ILE   7  14.087  -0.848  -0.143
  Start of MODEL    3
  584   HG13  ILE   7          HG11      ILE   7  14.095  -1.143   4.672
  Start of MODEL    3
  585    HA   ILE   8           HA       ILE   8  11.418   2.121   1.821
  Start of MODEL    3
  586    HB   ILE   8           HB       ILE   8  12.573   2.827  -0.884
  Start of MODEL    3
  587   HG12  ILE   8          HG12      ILE   8  13.111   3.958   1.867
  Start of MODEL    3
  588   HG21  ILE   8          HG21      ILE   8  10.780   4.423   0.947
  Start of MODEL    3
  589   HG23  ILE   8          HG22      ILE   8  10.316   3.701  -0.596
  Start of MODEL    3
  590   HG22  ILE   8          HG23      ILE   8  11.506   5.005  -0.553
  Start of MODEL    3
  591   HD11  ILE   8          HD11      ILE   8  13.237   5.737   0.233
  Start of MODEL    3
  592   HD13  ILE   8          HD12      ILE   8  14.302   4.757  -0.771
  Start of MODEL    3
  593   HD12  ILE   8          HD13      ILE   8  14.844   5.305   0.816
  Start of MODEL    3
  594    H    ILE   8           HN       ILE   8  13.571   0.877   0.374
  Start of MODEL    3
  595   HG13  ILE   8          HG11      ILE   8  14.223   2.980   0.920
  Start of MODEL    3
  596    HA   ALA   9           HA       ALA   9   9.038   1.184  -2.188
  Start of MODEL    3
  597    HB1  ALA   9           HB1      ALA   9  10.905   0.895  -3.792
  Start of MODEL    3
  598    HB3  ALA   9           HB2      ALA   9   9.502  -0.115  -4.132
  Start of MODEL    3
  599    HB2  ALA   9           HB3      ALA   9  10.934  -0.822  -3.389
  Start of MODEL    3
  600    H    ALA   9           HN       ALA   9  11.712   0.912  -1.506
  Start of MODEL    3
  601    HA   PRO  10           HA       PRO  10   8.508  -3.623  -1.311
  Start of MODEL    3
  602    HB2  PRO  10           HB2      PRO  10  10.326  -3.886   1.025
  Start of MODEL    3
  603    HG2  PRO  10           HG2      PRO  10  12.287  -3.661  -0.211
  Start of MODEL    3
  604    HD2  PRO  10           HD2      PRO  10  11.550  -1.467  -0.100
  Start of MODEL    3
  605    HB3  PRO  10           HB1      PRO  10  10.002  -5.023  -0.289
  Start of MODEL    3
  606    HG3  PRO  10           HG1      PRO  10  11.458  -3.960  -1.749
  Start of MODEL    3
  607    HD3  PRO  10           HD1      PRO  10  11.619  -1.658  -1.861
  Start of MODEL    3
  608    HA   VAL  11           HA       VAL  11   7.082  -2.344   2.955
  Start of MODEL    3
  609    HB   VAL  11           HB       VAL  11   8.595   0.272   3.120
  Start of MODEL    3
  610   HG13  VAL  11          HG11      VAL  11   6.457   0.428   4.293
  Start of MODEL    3
  611   HG12  VAL  11          HG12      VAL  11   7.804   0.395   5.428
  Start of MODEL    3
  612   HG11  VAL  11          HG13      VAL  11   6.830  -1.052   5.180
  Start of MODEL    3
  613   HG23  VAL  11          HG21      VAL  11   8.968  -2.321   4.624
  Start of MODEL    3
  614   HG22  VAL  11          HG22      VAL  11   9.884  -0.835   4.876
  Start of MODEL    3
  615   HG21  VAL  11          HG23      VAL  11  10.020  -1.706   3.348
  Start of MODEL    3
  616    H    VAL  11           HN       VAL  11   9.088  -1.225   1.195
  Start of MODEL    3
  617    HA   ILE  12           HA       ILE  12   4.961   1.642   1.257
  Start of MODEL    3
  618    HB   ILE  12           HB       ILE  12   6.432   1.479  -1.380
  Start of MODEL    3
  619   HG12  ILE  12          HG12      ILE  12   6.478   3.548   0.830
  Start of MODEL    3
  620   HG21  ILE  12          HG21      ILE  12   4.298   3.420  -0.494
  Start of MODEL    3
  621   HG23  ILE  12          HG22      ILE  12   4.097   2.145  -1.693
  Start of MODEL    3
  622   HG22  ILE  12          HG23      ILE  12   5.194   3.488  -2.010
  Start of MODEL    3
  623   HD11  ILE  12          HD11      ILE  12   6.731   4.623  -1.338
  Start of MODEL    3
  624   HD13  ILE  12          HD12      ILE  12   8.017   3.490  -1.755
  Start of MODEL    3
  625   HD12  ILE  12          HD13      ILE  12   8.245   4.637  -0.437
  Start of MODEL    3
  626    H    ILE  12           HN       ILE  12   7.383   0.345   0.683
  Start of MODEL    3
  627   HG13  ILE  12          HG11      ILE  12   7.780   2.427   0.436
  Start of MODEL    3
  628    HA   SER  13           HA       SER  13   3.164  -1.115  -2.190
  Start of MODEL    3
  629    HB2  SER  13           HB2      SER  13   5.159  -3.365  -1.836
  Start of MODEL    3
  630    HG   SER  13           HG       SER  13   5.081  -1.151  -3.527
  Start of MODEL    3
  631    H    SER  13           HN       SER  13   5.711  -0.991  -0.988
  Start of MODEL    3
  632    HB3  SER  13           HB1      SER  13   3.859  -3.299  -3.023
  Start of MODEL    3
  633    HA2  GLY  14           HA2      GLY  14   2.084  -4.008   1.242
  Start of MODEL    3
  634    H    GLY  14           HN       GLY  14   4.210  -2.011   0.921
  Start of MODEL    3
  635    HA3  GLY  14           HA1      GLY  14   3.413  -3.728   2.359
  Start of MODEL    3
  636    HA   CYS  15           HA       CYS  15   0.979  -0.834   4.448
  Start of MODEL    3
  637    HB2  CYS  15           HB2      CYS  15   1.882   1.452   4.970
  Start of MODEL    3
  638    HG   CYS  15           HG       CYS  15   4.521   0.754   2.935
  Start of MODEL    3
  639    H    CYS  15           HN       CYS  15   3.096  -0.855   2.470
  Start of MODEL    3
  640    HB3  CYS  15           HB1      CYS  15   3.052   0.148   5.122
  Start of MODEL    3
  641    HA   ALA  16           HA       ALA  16  -0.578   2.270   1.190
  Start of MODEL    3
  642    HB3  ALA  16           HB1      ALA  16  -0.479   2.137  -1.226
  Start of MODEL    3
  643    HB2  ALA  16           HB2      ALA  16   0.338   0.579  -1.131
  Start of MODEL    3
  644    HB1  ALA  16           HB3      ALA  16   1.154   2.034  -0.563
  Start of MODEL    3
  645    H    ALA  16           HN       ALA  16   1.344   0.146   1.189
  Start of MODEL    3
  646    HA   ILE  17           HA       ILE  17  -3.231  -1.559   0.132
  Start of MODEL    3
  647    HB   ILE  17           HB       ILE  17  -2.222  -2.888   2.651
  Start of MODEL    3
  648   HG12  ILE  17          HG12      ILE  17  -0.588  -2.981   0.829
  Start of MODEL    3
  649   HG23  ILE  17          HG21      ILE  17  -4.579  -3.353   2.268
  Start of MODEL    3
  650   HG22  ILE  17          HG22      ILE  17  -3.600  -4.789   1.968
  Start of MODEL    3
  651   HG21  ILE  17          HG23      ILE  17  -4.221  -3.846   0.615
  Start of MODEL    3
  652   HD11  ILE  17          HD11      ILE  17  -2.006  -2.685  -1.112
  Start of MODEL    3
  653   HD13  ILE  17          HD12      ILE  17  -2.780  -4.239  -0.806
  Start of MODEL    3
  654   HD12  ILE  17          HD13      ILE  17  -1.073  -4.176  -1.248
  Start of MODEL    3
  655    H    ILE  17           HN       ILE  17  -0.867  -1.022   1.585
  Start of MODEL    3
  656   HG13  ILE  17          HG11      ILE  17  -1.277  -4.573   1.112
  Start of MODEL    3
  657    HA   ALA  18           HA       ALA  18  -5.119  -0.168   4.381
  Start of MODEL    3
  658    HB1  ALA  18           HB1      ALA  18  -3.055   2.027   4.515
  Start of MODEL    3
  659    HB3  ALA  18           HB2      ALA  18  -3.151   0.612   5.565
  Start of MODEL    3
  660    HB2  ALA  18           HB3      ALA  18  -4.421   1.835   5.617
  Start of MODEL    3
  661    H    ALA  18           HN       ALA  18  -2.590  -0.063   3.200
  Start of MODEL    3
  662    HA   PHE  19           HA       PHE  19  -6.180   3.727   2.003
  Start of MODEL    3
  663    HB2  PHE  19           HB2      PHE  19  -3.972   4.747   1.585
  Start of MODEL    3
  664    HD1  PHE  19           HD1      PHE  19  -5.910   6.370   1.660
  Start of MODEL    3
  665    HD2  PHE  19           HD2      PHE  19  -4.602   4.472  -1.910
  Start of MODEL    3
  666    HE1  PHE  19           HE1      PHE  19  -7.022   8.111   0.333
  Start of MODEL    3
  667    HE2  PHE  19           HE2      PHE  19  -5.711   6.206  -3.249
  Start of MODEL    3
  668    HZ   PHE  19           HZ       PHE  19  -6.929   8.030  -2.128
  Start of MODEL    3
  669    H    PHE  19           HN       PHE  19  -3.760   2.200   2.115
  Start of MODEL    3
  670    HB3  PHE  19           HB1      PHE  19  -3.783   3.743   0.150
  Start of MODEL    3
  671    HA   PHE  20           HA       PHE  20  -6.330   1.297  -2.183
  Start of MODEL    3
  672    HB2  PHE  20           HB2      PHE  20  -4.214   0.046  -2.105
  Start of MODEL    3
  673    HD1  PHE  20           HD1      PHE  20  -6.153  -2.928  -1.629
  Start of MODEL    3
  674    HD2  PHE  20           HD2      PHE  20  -5.173   0.132  -4.423
  Start of MODEL    3
  675    HE1  PHE  20           HE1      PHE  20  -6.970  -4.347  -3.462
  Start of MODEL    3
  676    HE2  PHE  20           HE2      PHE  20  -5.987  -1.280  -6.260
  Start of MODEL    3
  677    HZ   PHE  20           HZ       PHE  20  -6.815  -3.581  -5.776
  Start of MODEL    3
  678    H    PHE  20           HN       PHE  20  -4.651   1.229   0.053
  Start of MODEL    3
  679    HB3  PHE  20           HB1      PHE  20  -4.910  -1.067  -0.938
  Start of MODEL    3
  680    HA   SER  21           HA       SER  21  -8.894  -1.962   0.094
  Start of MODEL    3
  681    HB2  SER  21           HB2      SER  21  -9.114  -2.423   2.559
  Start of MODEL    3
  682    HG   SER  21           HG       SER  21  -6.699  -0.965   2.800
  Start of MODEL    3
  683    H    SER  21           HN       SER  21  -6.601  -0.493   0.868
  Start of MODEL    3
  684    HB3  SER  21           HB1      SER  21  -7.535  -2.813   1.886
  Start of MODEL    3
  685    HA   TYR  22           HA       TYR  22 -11.275   1.510   2.121
  Start of MODEL    3
  686    HB2  TYR  22           HB2      TYR  22  -9.763   2.794   3.440
  Start of MODEL    3
  687    HD1  TYR  22           HD1      TYR  22 -12.279   3.357   3.801
  Start of MODEL    3
  688    HD2  TYR  22           HD2      TYR  22  -9.708   5.555   1.215
  Start of MODEL    3
  689    HE1  TYR  22           HE1      TYR  22 -13.800   5.291   3.938
  Start of MODEL    3
  690    HE2  TYR  22           HE2      TYR  22 -11.223   7.485   1.345
  Start of MODEL    3
  691    HH   TYR  22           HH       TYR  22 -13.569   7.976   1.853
  Start of MODEL    3
  692    H    TYR  22           HN       TYR  22  -8.483   1.235   1.468
  Start of MODEL    3
  693    HB3  TYR  22           HB1      TYR  22  -8.997   3.490   2.016
  Start of MODEL    3
  694    HA   TRP  23           HA       TRP  23 -11.125   4.422  -1.572
  Start of MODEL    3
  695    HB2  TRP  23           HB2      TRP  23  -8.606   4.681  -1.765
  Start of MODEL    3
  696    HD1  TRP  23           HD1      TRP  23  -9.822   7.029  -2.465
  Start of MODEL    3
  697    HE1  TRP  23           HE1      TRP  23 -10.238   8.077  -4.784
  Start of MODEL    3
  698    HE3  TRP  23           HE3      TRP  23  -9.171   2.865  -5.356
  Start of MODEL    3
  699    HZ2  TRP  23           HZ2      TRP  23 -10.284   7.229  -7.478
  Start of MODEL    3
  700    HZ3  TRP  23           HZ3      TRP  23  -9.422   3.068  -7.797
  Start of MODEL    3
  701    HH2  TRP  23           HH2      TRP  23  -9.969   5.211  -8.833
  Start of MODEL    3
  702    H    TRP  23           HN       TRP  23  -9.149   2.719  -0.447
  Start of MODEL    3
  703    HB3  TRP  23           HB1      TRP  23  -8.647   3.394  -2.968
  Start of MODEL    3
  704    HA   LEU  24           HA       LEU  24 -12.067   1.060  -4.399
  Start of MODEL    3
  705    HB2  LEU  24           HB2      LEU  24  -9.750   0.512  -4.966
  Start of MODEL    3
  706    HG   LEU  24           HG       LEU  24 -11.530  -1.926  -5.118
  Start of MODEL    3
  707   HD12  LEU  24          HD11      LEU  24 -11.978  -1.129  -7.395
  Start of MODEL    3
  708   HD11  LEU  24          HD12      LEU  24 -11.053   0.330  -7.044
  Start of MODEL    3
  709   HD13  LEU  24          HD13      LEU  24 -12.542  -0.002  -6.160
  Start of MODEL    3
  710   HD21  LEU  24          HD21      LEU  24  -9.176  -2.497  -5.474
  Start of MODEL    3
  711   HD23  LEU  24          HD22      LEU  24  -9.058  -1.231  -6.698
  Start of MODEL    3
  712   HD22  LEU  24          HD23      LEU  24 -10.106  -2.623  -6.968
  Start of MODEL    3
  713    H    LEU  24           HN       LEU  24 -10.266   1.091  -2.084
  Start of MODEL    3
  714    HB3  LEU  24           HB1      LEU  24  -9.765  -0.795  -3.796
  Start of MODEL    3
  715    HA   SER  25           HA       SER  25 -12.966  -2.938  -2.188
  Start of MODEL    3
  716    HB2  SER  25           HB2      SER  25 -10.774  -3.471  -1.163
  Start of MODEL    3
  717    HG   SER  25           HG       SER  25 -13.088  -4.448  -0.474
  Start of MODEL    3
  718    H    SER  25           HN       SER  25 -10.937  -1.007  -1.718
  Start of MODEL    3
  719    HB3  SER  25           HB1      SER  25 -11.243  -2.558   0.271
  Start of MODEL    3
  720    HA   ARG  26           HA       ARG  26 -15.136  -1.242   1.502
  Start of MODEL    3
  721    HB2  ARG  26           HB2      ARG  26 -12.928   0.557   2.402
  Start of MODEL    3
  722    HG2  ARG  26           HG2      ARG  26 -12.853  -1.749   3.148
  Start of MODEL    3
  723    HD2  ARG  26           HD2      ARG  26 -15.107  -2.472   3.111
  Start of MODEL    3
  724    HE   ARG  26           HE       ARG  26 -16.197  -0.286   3.585
  Start of MODEL    3
  725   HH11  ARG  26          HH11      ARG  26 -15.638  -2.561   6.208
  Start of MODEL    3
  726   HH12  ARG  26          HH12      ARG  26 -16.923  -1.923   7.182
  Start of MODEL    3
  727   HH21  ARG  26          HH21      ARG  26 -17.883   0.511   4.861
  Start of MODEL    3
  728   HH22  ARG  26          HH22      ARG  26 -18.198  -0.176   6.424
  Start of MODEL    3
  729    H    ARG  26           HN       ARG  26 -12.533  -0.555   0.454
  Start of MODEL    3
  730    HB3  ARG  26           HB1      ARG  26 -14.537   0.752   3.086
  Start of MODEL    3
  731    HG3  ARG  26           HG1      ARG  26 -13.151  -0.649   4.496
  Start of MODEL    3
  732    HD3  ARG  26           HD1      ARG  26 -14.626  -2.472   4.807
  Start of MODEL    3
  733    HA   ARG  27           HA       ARG  27 -16.742   2.289  -0.634
  Start of MODEL    3
  734    HB2  ARG  27           HB2      ARG  27 -16.519   0.638  -3.171
  Start of MODEL    3
  735    HG2  ARG  27           HG2      ARG  27 -14.325   1.447  -2.673
  Start of MODEL    3
  736    HD2  ARG  27           HD2      ARG  27 -14.884   3.190  -1.066
  Start of MODEL    3
  737    HE   ARG  27           HE       ARG  27 -16.777   4.188  -2.424
  Start of MODEL    3
  738   HH11  ARG  27          HH11      ARG  27 -13.539   5.522  -2.432
  Start of MODEL    3
  739   HH12  ARG  27          HH12      ARG  27 -14.078   7.139  -2.755
  Start of MODEL    3
  740   HH21  ARG  27          HH21      ARG  27 -17.475   6.315  -2.788
  Start of MODEL    3
  741   HH22  ARG  27          HH22      ARG  27 -16.312   7.592  -2.930
  Start of MODEL    3
  742    H    ARG  27           HN       ARG  27 -15.390  -0.276  -1.062
  Start of MODEL    3
  743    HB3  ARG  27           HB1      ARG  27 -17.198   2.257  -3.045
  Start of MODEL    3
  744    HG3  ARG  27           HG1      ARG  27 -15.011   2.416  -3.976
  Start of MODEL    3
  745    HD3  ARG  27           HD1      ARG  27 -13.853   3.819  -2.354
  Start of MODEL    3
  746    HA   ASN  28           HA       ASN  28 -20.065  -0.764  -0.430
  Start of MODEL    3
  747    HB2  ASN  28           HB2      ASN  28 -18.713  -3.083  -1.839
  Start of MODEL    3
  748   HD21  ASN  28          HD21      ASN  28 -21.457  -1.290  -2.991
  Start of MODEL    3
  749   HD22  ASN  28          HD22      ASN  28 -20.676  -0.648  -4.392
  Start of MODEL    3
  750    H    ASN  28           HN       ASN  28 -17.158  -1.051  -0.719
  Start of MODEL    3
  751    HB3  ASN  28           HB1      ASN  28 -20.441  -2.818  -1.667
  Start of MODEL    3
  752    HA   THR  29           HA       THR  29 -17.912  -3.756   2.497
  Start of MODEL    3
  753    HB   THR  29           HB       THR  29 -19.480  -5.961   1.125
  Start of MODEL    3
  754    HG1  THR  29           HG1      THR  29 -21.245  -4.853   1.434
  Start of MODEL    3
  755   HG22  THR  29          HG21      THR  29 -20.071  -6.594   3.430
  Start of MODEL    3
  756   HG21  THR  29          HG22      THR  29 -19.034  -5.303   4.036
  Start of MODEL    3
  757   HG23  THR  29          HG23      THR  29 -18.332  -6.652   3.144
  Start of MODEL    3
  758    H    THR  29           HN       THR  29 -18.089  -3.682  -0.380
  Start of MODEL    3
  759    HA   LYS  30           HA       LYS  30 -15.093  -6.796   0.968
  Start of MODEL    3
  760    HB2  LYS  30           HB2      LYS  30 -12.982  -6.694   2.151
  Start of MODEL    3
  761    HG2  LYS  30           HG2      LYS  30 -14.283  -4.987   4.253
  Start of MODEL    3
  762    HD2  LYS  30           HD2      LYS  30 -11.514  -6.083   3.831
  Start of MODEL    3
  763    HE2  LYS  30           HE2      LYS  30 -12.176  -6.539   6.156
  Start of MODEL    3
  764    HZ2  LYS  30           HZ1      LYS  30 -12.731  -4.789   7.635
  Start of MODEL    3
  765    HZ1  LYS  30           HZ2      LYS  30 -13.823  -4.716   6.350
  Start of MODEL    3
  766    HZ3  LYS  30           HZ3      LYS  30 -12.545  -3.614   6.440
  Start of MODEL    3
  767    H    LYS  30           HN       LYS  30 -16.393  -5.368   3.183
  Start of MODEL    3
  768    HB3  LYS  30           HB1      LYS  30 -13.632  -5.074   1.965
  Start of MODEL    3
  769    HG3  LYS  30           HG1      LYS  30 -13.901  -6.693   4.486
  Start of MODEL    3
  770    HD3  LYS  30           HD1      LYS  30 -12.012  -4.400   4.029
  Start of MODEL    3
  771    HE3  LYS  30           HE1      LYS  30 -10.927  -5.299   6.050
  Start of MODEL    4
  772    H1   MET   1           H1       MET   1  18.645   9.591   4.423
  Start of MODEL    4
  773    H2   MET   1           H2       MET   1  17.119   9.228   5.119
  Start of MODEL    4
  774    H3   MET   1           H3       MET   1  17.925  10.686   5.527
  Start of MODEL    4
  775    HB3  MET   1           HB1      MET   1  18.239   8.400   8.395
  Start of MODEL    4
  776    HA   MET   1           HA       MET   1  19.519   9.632   6.754
  Start of MODEL    4
  777    HB2  MET   1           HB2      MET   1  16.995   8.027   7.210
  Start of MODEL    4
  778    HG2  MET   1           HG2      MET   1  16.410  10.397   7.076
  Start of MODEL    4
  779    HG3  MET   1           HG3      MET   1  16.240   9.760   8.710
  Start of MODEL    4
  780    HE2  MET   1           HE1      MET   1  16.298  12.964   8.443
  Start of MODEL    4
  781    HE3  MET   1           HE2      MET   1  17.864  13.635   7.988
  Start of MODEL    4
  782    HE1  MET   1           HE3      MET   1  16.977  12.619   6.853
  Start of MODEL    4
  783    H    LEU   2           H        LEU   2  17.544   7.067   5.233
  Start of MODEL    4
  784    HA   LEU   2           HA       LEU   2  19.931   5.338   5.234
  Start of MODEL    4
  785    HB2  LEU   2           HB2      LEU   2  17.055   4.462   4.980
  Start of MODEL    4
  786    HB3  LEU   2           HB3      LEU   2  18.457   3.439   5.225
  Start of MODEL    4
  787    HG   LEU   2           HG       LEU   2  17.600   5.478   7.265
  Start of MODEL    4
  788   HD11  LEU   2          HD11      LEU   2  16.790   2.579   7.122
  Start of MODEL    4
  789   HD12  LEU   2          HD12      LEU   2  16.444   3.694   8.444
  Start of MODEL    4
  790   HD13  LEU   2          HD13      LEU   2  15.728   3.961   6.855
  Start of MODEL    4
  791   HD21  LEU   2          HD21      LEU   2  19.367   3.038   7.335
  Start of MODEL    4
  792   HD22  LEU   2          HD22      LEU   2  19.846   4.721   7.560
  Start of MODEL    4
  793   HD23  LEU   2          HD23      LEU   2  18.844   3.920   8.770
  Start of MODEL    4
  794    H    ILE   3           H        ILE   3  19.224   3.452   3.395
  Start of MODEL    4
  795    HA   ILE   3           HA       ILE   3  19.890   4.665   0.947
  Start of MODEL    4
  796    HB   ILE   3           HB       ILE   3  18.612   1.947   1.282
  Start of MODEL    4
  797   HG12  ILE   3          HG12      ILE   3  20.531   2.106   2.780
  Start of MODEL    4
  798   HG13  ILE   3          HG13      ILE   3  20.921   1.067   1.415
  Start of MODEL    4
  799   HG21  ILE   3          HG21      ILE   3  20.157   3.280  -0.903
  Start of MODEL    4
  800   HG22  ILE   3          HG22      ILE   3  20.185   1.524  -0.734
  Start of MODEL    4
  801   HG23  ILE   3          HG23      ILE   3  18.655   2.362  -0.992
  Start of MODEL    4
  802   HD12  ILE   3          HD11      ILE   3  21.808   3.908   1.848
  Start of MODEL    4
  803   HD13  ILE   3          HD12      ILE   3  22.802   2.451   1.884
  Start of MODEL    4
  804   HD11  ILE   3          HD13      ILE   3  22.088   2.994   0.366
  Start of MODEL    4
  805    H    PHE   4           H        PHE   4  18.632   5.946  -0.241
  Start of MODEL    4
  806    HA   PHE   4           HA       PHE   4  15.747   5.806  -0.048
  Start of MODEL    4
  807    HB2  PHE   4           HB2      PHE   4  17.154   7.946  -0.165
  Start of MODEL    4
  808    HB3  PHE   4           HB3      PHE   4  17.314   7.610  -1.885
  Start of MODEL    4
  809    HD1  PHE   4           HD1      PHE   4  14.600   7.736   0.682
  Start of MODEL    4
  810    HD2  PHE   4           HD2      PHE   4  15.858   8.700  -3.267
  Start of MODEL    4
  811    HE1  PHE   4           HE1      PHE   4  12.445   8.850   0.271
  Start of MODEL    4
  812    HE2  PHE   4           HE2      PHE   4  13.706   9.815  -3.685
  Start of MODEL    4
  813    HZ   PHE   4           HZ       PHE   4  11.997   9.892  -1.915
  Start of MODEL    4
  814    H    VAL   5           H        VAL   5  15.875   3.547  -0.972
  Start of MODEL    4
  815    HA   VAL   5           HA       VAL   5  14.723   3.444  -3.484
  Start of MODEL    4
  816    HB   VAL   5           HB       VAL   5  16.795   4.028  -4.526
  Start of MODEL    4
  817   HG11  VAL   5          HG11      VAL   5  18.235   3.407  -2.575
  Start of MODEL    4
  818   HG12  VAL   5          HG12      VAL   5  18.147   1.733  -3.122
  Start of MODEL    4
  819   HG13  VAL   5          HG13      VAL   5  18.888   2.959  -4.150
  Start of MODEL    4
  820   HG22  VAL   5          HG21      VAL   5  17.134   2.198  -6.004
  Start of MODEL    4
  821   HG23  VAL   5          HG22      VAL   5  16.588   1.036  -4.796
  Start of MODEL    4
  822   HG21  VAL   5          HG23      VAL   5  15.439   2.162  -5.518
  Start of MODEL    4
  823    H    HIS   6           H        HIS   6  16.905   1.686  -1.306
  Start of MODEL    4
  824    HA   HIS   6           HA       HIS   6  15.906  -0.899  -1.940
  Start of MODEL    4
  825    HB2  HIS   6           HB2      HIS   6  18.130  -0.574  -0.963
  Start of MODEL    4
  826    HB3  HIS   6           HB3      HIS   6  17.403   0.067   0.506
  Start of MODEL    4
  827    HD1  HIS   6           HD1      HIS   6  18.004  -3.140  -1.333
  Start of MODEL    4
  828    HD2  HIS   6           HD2      HIS   6  16.351  -1.847   2.254
  Start of MODEL    4
  829    HE1  HIS   6           HE1      HIS   6  17.679  -5.218   0.046
  Start of MODEL    4
  830    HE2  HIS   6           HE2      HIS   6  16.655  -4.414   2.203
  Start of MODEL    4
  831    H    ILE   7           H        ILE   7  15.215   1.414   0.674
  Start of MODEL    4
  832    HA   ILE   7           HA       ILE   7  13.313  -0.324   1.952
  Start of MODEL    4
  833    HB   ILE   7           HB       ILE   7  13.884   2.616   2.367
  Start of MODEL    4
  834   HG12  ILE   7          HG12      ILE   7  14.639   1.285   4.640
  Start of MODEL    4
  835   HG13  ILE   7          HG13      ILE   7  15.046   0.112   3.391
  Start of MODEL    4
  836   HG22  ILE   7          HG21      ILE   7  12.693   2.091   4.606
  Start of MODEL    4
  837   HG23  ILE   7          HG22      ILE   7  11.720   2.407   3.169
  Start of MODEL    4
  838   HG21  ILE   7          HG23      ILE   7  11.974   0.750   3.715
  Start of MODEL    4
  839   HD11  ILE   7          HD11      ILE   7  15.909   2.933   3.036
  Start of MODEL    4
  840   HD12  ILE   7          HD12      ILE   7  16.773   1.907   4.182
  Start of MODEL    4
  841   HD13  ILE   7          HD13      ILE   7  16.666   1.438   2.484
  Start of MODEL    4
  842    H    ILE   8           H        ILE   8  13.120   2.526  -0.154
  Start of MODEL    4
  843    HA   ILE   8           HA       ILE   8  10.239   2.561  -0.102
  Start of MODEL    4
  844    HB   ILE   8           HB       ILE   8  10.552   4.255  -2.009
  Start of MODEL    4
  845   HG12  ILE   8          HG12      ILE   8  13.350   4.552  -0.991
  Start of MODEL    4
  846   HG13  ILE   8          HG13      ILE   8  13.035   3.359  -2.248
  Start of MODEL    4
  847   HG22  ILE   8          HG21      ILE   8  11.760   4.881   0.678
  Start of MODEL    4
  848   HG23  ILE   8          HG22      ILE   8  11.027   6.027  -0.446
  Start of MODEL    4
  849   HG21  ILE   8          HG23      ILE   8  10.032   4.800   0.336
  Start of MODEL    4
  850   HD12  ILE   8          HD11      ILE   8  12.767   6.332  -2.362
  Start of MODEL    4
  851   HD13  ILE   8          HD12      ILE   8  13.660   5.246  -3.428
  Start of MODEL    4
  852   HD11  ILE   8          HD13      ILE   8  11.898   5.297  -3.496
  Start of MODEL    4
  853    H    ALA   9           H        ALA   9  10.012   0.301  -0.774
  Start of MODEL    4
  854    HA   ALA   9           HA       ALA   9   9.096   0.050  -3.385
  Start of MODEL    4
  855    HB3  ALA   9           HB1      ALA   9  10.961  -0.245  -4.573
  Start of MODEL    4
  856    HB1  ALA   9           HB2      ALA   9  11.949  -0.452  -3.128
  Start of MODEL    4
  857    HB2  ALA   9           HB3      ALA   9  11.076  -1.828  -3.804
  Start of MODEL    4
  858    HA   PRO  10           HA       PRO  10   8.972  -4.331  -1.487
  Start of MODEL    4
  859    HB2  PRO  10           HB2      PRO  10  10.698  -5.079   0.434
  Start of MODEL    4
  860    HB3  PRO  10           HB3      PRO  10  11.140  -5.099  -1.277
  Start of MODEL    4
  861    HG2  PRO  10           HG2      PRO  10  11.787  -3.065   0.820
  Start of MODEL    4
  862    HG3  PRO  10           HG3      PRO  10  12.832  -3.745  -0.440
  Start of MODEL    4
  863    HD2  PRO  10           HD2      PRO  10  11.601  -1.309  -0.641
  Start of MODEL    4
  864    HD3  PRO  10           HD3      PRO  10  12.046  -2.307  -2.038
  Start of MODEL    4
  865    H    VAL  11           H        VAL  11   9.900  -1.951   0.997
  Start of MODEL    4
  866    HA   VAL  11           HA       VAL  11   8.291  -3.032   3.066
  Start of MODEL    4
  867    HB   VAL  11           HB       VAL  11   9.194  -0.158   2.791
  Start of MODEL    4
  868   HG11  VAL  11          HG11      VAL  11   8.188  -1.816   5.081
  Start of MODEL    4
  869   HG12  VAL  11          HG12      VAL  11   9.187  -0.387   5.346
  Start of MODEL    4
  870   HG13  VAL  11          HG13      VAL  11   7.632  -0.236   4.529
  Start of MODEL    4
  871   HG21  VAL  11          HG21      VAL  11  10.646  -2.617   3.682
  Start of MODEL    4
  872   HG22  VAL  11          HG22      VAL  11  11.207  -1.293   2.662
  Start of MODEL    4
  873   HG23  VAL  11          HG23      VAL  11  11.033  -1.054   4.400
  Start of MODEL    4
  874    H    ILE  12           H        ILE  12   7.629  -0.849   0.416
  Start of MODEL    4
  875    HA   ILE  12           HA       ILE  12   5.252   0.326   1.352
  Start of MODEL    4
  876    HB   ILE  12           HB       ILE  12   5.982  -0.301  -1.514
  Start of MODEL    4
  877   HG12  ILE  12          HG12      ILE  12   6.414   2.322  -0.092
  Start of MODEL    4
  878   HG13  ILE  12          HG13      ILE  12   7.649   1.069  -0.108
  Start of MODEL    4
  879   HG22  ILE  12          HG21      ILE  12   4.542   1.743  -1.935
  Start of MODEL    4
  880   HG23  ILE  12          HG22      ILE  12   3.699   0.268  -1.462
  Start of MODEL    4
  881   HG21  ILE  12          HG23      ILE  12   3.963   1.550  -0.280
  Start of MODEL    4
  882   HD12  ILE  12          HD11      ILE  12   6.559   2.651  -2.401
  Start of MODEL    4
  883   HD13  ILE  12          HD12      ILE  12   8.227   2.496  -1.852
  Start of MODEL    4
  884   HD11  ILE  12          HD13      ILE  12   7.431   1.138  -2.648
  Start of MODEL    4
  885    H    SER  13           H        SER  13   5.891  -2.839   0.013
  Start of MODEL    4
  886    HA   SER  13           HA       SER  13   3.442  -3.626  -0.963
  Start of MODEL    4
  887    HB2  SER  13           HB2      SER  13   5.434  -5.264   0.619
  Start of MODEL    4
  888    HB3  SER  13           HB3      SER  13   4.105  -5.940  -0.321
  Start of MODEL    4
  889    HG   SER  13           HG       SER  13   6.518  -5.220  -1.166
  Start of MODEL    4
  890    H    GLY  14           H        GLY  14   4.483  -3.538   2.433
  Start of MODEL    4
  891    HA2  GLY  14           HA2      GLY  14   2.277  -4.872   3.549
  Start of MODEL    4
  892    HA3  GLY  14           HA3      GLY  14   3.308  -3.729   4.393
  Start of MODEL    4
  893    H    CYS  15           H        CYS  15   2.847  -1.340   3.447
  Start of MODEL    4
  894    HA   CYS  15           HA       CYS  15   0.259  -0.685   4.377
  Start of MODEL    4
  895    HB2  CYS  15           HB2      CYS  15   0.810   1.604   3.845
  Start of MODEL    4
  896    HB3  CYS  15           HB3      CYS  15   2.222   0.821   4.543
  Start of MODEL    4
  897    HG   CYS  15           HG       CYS  15   2.247   0.896   1.489
  Start of MODEL    4
  898    H    ALA  16           H        ALA  16   1.447  -1.441   1.203
  Start of MODEL    4
  899    HA   ALA  16           HA       ALA  16  -0.352  -0.113  -0.438
  Start of MODEL    4
  900    HB2  ALA  16           HB1      ALA  16   0.077  -1.887  -2.080
  Start of MODEL    4
  901    HB3  ALA  16           HB2      ALA  16   1.560  -1.325  -1.307
  Start of MODEL    4
  902    HB1  ALA  16           HB3      ALA  16   0.836  -2.858  -0.819
  Start of MODEL    4
  903    H    ILE  17           H        ILE  17  -0.773  -3.162   1.323
  Start of MODEL    4
  904    HA   ILE  17           HA       ILE  17  -3.234  -3.912   0.167
  Start of MODEL    4
  905    HB   ILE  17           HB       ILE  17  -2.206  -4.561   2.936
  Start of MODEL    4
  906   HG12  ILE  17          HG12      ILE  17  -2.059  -6.378   0.546
  Start of MODEL    4
  907   HG13  ILE  17          HG13      ILE  17  -0.810  -5.168   0.818
  Start of MODEL    4
  908   HG21  ILE  17          HG21      ILE  17  -4.388  -5.793   1.264
  Start of MODEL    4
  909   HG22  ILE  17          HG22      ILE  17  -3.686  -6.571   2.682
  Start of MODEL    4
  910   HG23  ILE  17          HG23      ILE  17  -4.538  -5.037   2.850
  Start of MODEL    4
  911   HD11  ILE  17          HD11      ILE  17  -0.561  -6.180   3.135
  Start of MODEL    4
  912   HD12  ILE  17          HD12      ILE  17  -1.529  -7.522   2.523
  Start of MODEL    4
  913   HD13  ILE  17          HD13      ILE  17   0.017  -7.132   1.767
  Start of MODEL    4
  914    H    ALA  18           H        ALA  18  -2.505  -2.118   3.161
  Start of MODEL    4
  915    HA   ALA  18           HA       ALA  18  -5.143  -1.745   4.023
  Start of MODEL    4
  916    HB3  ALA  18           HB1      ALA  18  -3.237  -1.333   5.471
  Start of MODEL    4
  917    HB1  ALA  18           HB2      ALA  18  -2.749   0.033   4.469
  Start of MODEL    4
  918    HB2  ALA  18           HB3      ALA  18  -4.260   0.100   5.375
  Start of MODEL    4
  919    H    PHE  19           H        PHE  19  -3.168   0.131   1.769
  Start of MODEL    4
  920    HA   PHE  19           HA       PHE  19  -4.887   2.351   1.520
  Start of MODEL    4
  921    HB2  PHE  19           HB2      PHE  19  -2.542   2.367   0.760
  Start of MODEL    4
  922    HB3  PHE  19           HB3      PHE  19  -2.948   1.220  -0.511
  Start of MODEL    4
  923    HD1  PHE  19           HD1      PHE  19  -3.381   4.676   0.664
  Start of MODEL    4
  924    HD2  PHE  19           HD2      PHE  19  -4.022   1.926  -2.521
  Start of MODEL    4
  925    HE1  PHE  19           HE1      PHE  19  -3.944   6.546  -0.834
  Start of MODEL    4
  926    HE2  PHE  19           HE2      PHE  19  -4.585   3.791  -4.024
  Start of MODEL    4
  927    HZ   PHE  19           HZ       PHE  19  -4.545   6.105  -3.181
  Start of MODEL    4
  928    H    PHE  20           H        PHE  20  -4.603  -0.623  -0.421
  Start of MODEL    4
  929    HA   PHE  20           HA       PHE  20  -6.584   0.006  -2.310
  Start of MODEL    4
  930    HB2  PHE  20           HB2      PHE  20  -4.955  -1.803  -2.636
  Start of MODEL    4
  931    HB3  PHE  20           HB3      PHE  20  -5.697  -2.717  -1.330
  Start of MODEL    4
  932    HD1  PHE  20           HD1      PHE  20  -7.576  -4.077  -1.714
  Start of MODEL    4
  933    HD2  PHE  20           HD2      PHE  20  -6.276  -1.364  -4.724
  Start of MODEL    4
  934    HE1  PHE  20           HE1      PHE  20  -9.110  -5.132  -3.322
  Start of MODEL    4
  935    HE2  PHE  20           HE2      PHE  20  -7.809  -2.414  -6.337
  Start of MODEL    4
  936    HZ   PHE  20           HZ       PHE  20  -9.229  -4.301  -5.637
  Start of MODEL    4
  937    H    SER  21           H        SER  21  -6.813  -1.982   0.648
  Start of MODEL    4
  938    HA   SER  21           HA       SER  21  -9.536  -2.577   0.470
  Start of MODEL    4
  939    HB2  SER  21           HB2      SER  21  -9.378  -2.921   2.977
  Start of MODEL    4
  940    HB3  SER  21           HB3      SER  21  -8.200  -3.814   2.016
  Start of MODEL    4
  941    HG   SER  21           HG       SER  21  -6.632  -2.655   2.847
  Start of MODEL    4
  942    H    TYR  22           H        TYR  22  -7.901   0.181   1.993
  Start of MODEL    4
  943    HA   TYR  22           HA       TYR  22 -10.196   1.337   3.160
  Start of MODEL    4
  944    HB2  TYR  22           HB2      TYR  22  -7.817   1.905   3.724
  Start of MODEL    4
  945    HB3  TYR  22           HB3      TYR  22  -7.721   2.790   2.206
  Start of MODEL    4
  946    HD1  TYR  22           HD1      TYR  22  -9.777   2.615   5.320
  Start of MODEL    4
  947    HD2  TYR  22           HD2      TYR  22  -8.223   5.053   2.199
  Start of MODEL    4
  948    HE1  TYR  22           HE1      TYR  22 -10.676   4.610   6.440
  Start of MODEL    4
  949    HE2  TYR  22           HE2      TYR  22  -9.116   7.055   3.310
  Start of MODEL    4
  950    HH   TYR  22           HH       TYR  22 -11.407   7.085   5.489
  Start of MODEL    4
  951    H    TRP  23           H        TRP  23  -8.600   1.892   0.029
  Start of MODEL    4
  952    HA   TRP  23           HA       TRP  23 -10.284   3.974  -0.850
  Start of MODEL    4
  953    HB2  TRP  23           HB2      TRP  23  -8.015   3.065  -1.809
  Start of MODEL    4
  954    HB3  TRP  23           HB3      TRP  23  -9.059   2.035  -2.782
  Start of MODEL    4
  955    HD1  TRP  23           HD1      TRP  23  -8.048   5.692  -2.317
  Start of MODEL    4
  956    HE1  TRP  23           HE1      TRP  23  -8.828   7.032  -4.370
  Start of MODEL    4
  957    HE3  TRP  23           HE3      TRP  23 -10.815   2.076  -4.643
  Start of MODEL    4
  958    HZ2  TRP  23           HZ2      TRP  23 -10.407   6.611  -6.672
  Start of MODEL    4
  959    HZ3  TRP  23           HZ3      TRP  23 -11.926   2.626  -6.767
  Start of MODEL    4
  960    HH2  TRP  23           HH2      TRP  23 -11.726   4.848  -7.760
  Start of MODEL    4
  961    H    LEU  24           H        LEU  24 -10.476   0.457  -1.244
  Start of MODEL    4
  962    HA   LEU  24           HA       LEU  24 -12.733   0.441  -2.953
  Start of MODEL    4
  963    HB2  LEU  24           HB2      LEU  24 -11.165  -1.522  -1.441
  Start of MODEL    4
  964    HB3  LEU  24           HB3      LEU  24 -12.855  -1.954  -1.616
  Start of MODEL    4
  965    HG   LEU  24           HG       LEU  24 -12.563  -1.579  -4.111
  Start of MODEL    4
  966   HD13  LEU  24          HD11      LEU  24 -10.335  -1.642  -5.014
  Start of MODEL    4
  967   HD11  LEU  24          HD12      LEU  24 -10.471  -0.269  -3.915
  Start of MODEL    4
  968   HD12  LEU  24          HD13      LEU  24  -9.640  -1.735  -3.395
  Start of MODEL    4
  969   HD22  LEU  24          HD21      LEU  24 -11.471  -3.781  -4.431
  Start of MODEL    4
  970   HD23  LEU  24          HD22      LEU  24 -11.033  -3.775  -2.723
  Start of MODEL    4
  971   HD21  LEU  24          HD23      LEU  24 -12.731  -3.799  -3.197
  Start of MODEL    4
  972    H    SER  25           H        SER  25 -12.372   0.509   0.545
  Start of MODEL    4
  973    HA   SER  25           HA       SER  25 -14.918  -0.228   1.362
  Start of MODEL    4
  974    HB2  SER  25           HB2      SER  25 -12.807   0.376   2.760
  Start of MODEL    4
  975    HB3  SER  25           HB3      SER  25 -13.451   2.017   2.720
  Start of MODEL    4
  976    HG   SER  25           HG       SER  25 -14.756   1.429   4.245
  Start of MODEL    4
  977    H    ARG  26           H        ARG  26 -13.737   3.020   0.483
  Start of MODEL    4
  978    HA   ARG  26           HA       ARG  26 -16.182   4.358   0.937
  Start of MODEL    4
  979    HB2  ARG  26           HB2      ARG  26 -13.834   5.062  -0.828
  Start of MODEL    4
  980    HB3  ARG  26           HB3      ARG  26 -15.193   6.139  -0.543
  Start of MODEL    4
  981    HG2  ARG  26           HG2      ARG  26 -13.314   5.078   1.558
  Start of MODEL    4
  982    HG3  ARG  26           HG3      ARG  26 -13.292   6.702   0.869
  Start of MODEL    4
  983    HD2  ARG  26           HD2      ARG  26 -15.518   5.468   2.491
  Start of MODEL    4
  984    HD3  ARG  26           HD3      ARG  26 -14.395   6.712   3.034
  Start of MODEL    4
  985    HE   ARG  26           HE       ARG  26 -16.721   7.068   1.371
  Start of MODEL    4
  986   HH11  ARG  26          HH11      ARG  26 -13.650   8.446   2.346
  Start of MODEL    4
  987   HH12  ARG  26          HH12      ARG  26 -14.104  10.062   1.924
  Start of MODEL    4
  988   HH21  ARG  26          HH21      ARG  26 -17.309   9.200   0.820
  Start of MODEL    4
  989   HH22  ARG  26          HH22      ARG  26 -16.178  10.490   1.059
  Start of MODEL    4
  990    H    ARG  27           H        ARG  27 -14.828   2.784  -1.927
  Start of MODEL    4
  991    HA   ARG  27           HA       ARG  27 -16.663   3.665  -3.835
  Start of MODEL    4
  992    HB2  ARG  27           HB2      ARG  27 -14.486   2.088  -3.939
  Start of MODEL    4
  993    HB3  ARG  27           HB3      ARG  27 -15.732   0.854  -4.040
  Start of MODEL    4
  994    HG2  ARG  27           HG2      ARG  27 -15.506   1.270  -6.247
  Start of MODEL    4
  995    HG3  ARG  27           HG3      ARG  27 -16.685   2.530  -5.875
  Start of MODEL    4
  996    HD2  ARG  27           HD2      ARG  27 -13.713   2.999  -5.801
  Start of MODEL    4
  997    HD3  ARG  27           HD3      ARG  27 -14.678   3.231  -7.256
  Start of MODEL    4
  998    HE   ARG  27           HE       ARG  27 -15.720   5.073  -6.261
  Start of MODEL    4
  999   HH11  ARG  27          HH11      ARG  27 -13.348   3.640  -4.110
  Start of MODEL    4
 1000   HH12  ARG  27          HH12      ARG  27 -13.327   4.997  -3.038
  Start of MODEL    4
 1001   HH21  ARG  27          HH21      ARG  27 -15.677   6.852  -4.841
  Start of MODEL    4
 1002   HH22  ARG  27          HH22      ARG  27 -14.644   6.817  -3.452
  Start of MODEL    4
 1003    H    ASN  28           H        ASN  28 -16.791   0.750  -1.781
  Start of MODEL    4
 1004    HA   ASN  28           HA       ASN  28 -19.701   0.775  -2.035
  Start of MODEL    4
 1005    HB2  ASN  28           HB2      ASN  28 -18.929  -0.763  -3.781
  Start of MODEL    4
 1006    HB3  ASN  28           HB3      ASN  28 -18.003  -1.671  -2.593
  Start of MODEL    4
 1007   HD22  ASN  28          HD21      ASN  28 -20.647  -3.787  -1.970
  Start of MODEL    4
 1008   HD21  ASN  28          HD22      ASN  28 -18.947  -3.519  -2.124
  Start of MODEL    4
 1009    H    THR  29           H        THR  29 -17.537  -1.733  -0.732
  Start of MODEL    4
 1010    HA   THR  29           HA       THR  29 -17.695  -0.890   1.963
  Start of MODEL    4
 1011    HB   THR  29           HB       THR  29 -20.079  -1.606   1.559
  Start of MODEL    4
 1012    HG1  THR  29           HG1      THR  29 -20.046  -1.992   3.604
  Start of MODEL    4
 1013   HG22  THR  29          HG21      THR  29 -19.000  -4.408   1.604
  Start of MODEL    4
 1014   HG23  THR  29          HG22      THR  29 -20.676  -3.888   1.433
  Start of MODEL    4
 1015   HG21  THR  29          HG23      THR  29 -19.524  -3.591   0.132
  Start of MODEL    4
 1016    H    LYS  30           H        LYS  30 -16.886  -2.579   3.486
  Start of MODEL    4
 1017    HA   LYS  30           HA       LYS  30 -15.070  -4.438   2.094
  Start of MODEL    4
 1018    HB2  LYS  30           HB2      LYS  30 -14.648  -2.893   4.655
  Start of MODEL    4
 1019    HB3  LYS  30           HB3      LYS  30 -13.576  -4.169   4.096
  Start of MODEL    4
 1020    HG2  LYS  30           HG2      LYS  30 -14.156  -1.578   2.677
  Start of MODEL    4
 1021    HG3  LYS  30           HG3      LYS  30 -12.674  -1.996   3.538
  Start of MODEL    4
 1022    HD2  LYS  30           HD2      LYS  30 -13.730  -3.501   1.144
  Start of MODEL    4
 1023    HD3  LYS  30           HD3      LYS  30 -12.521  -2.220   1.055
  Start of MODEL    4
 1024    HE2  LYS  30           HE2      LYS  30 -11.062  -3.926   1.231
  Start of MODEL    4
 1025    HE3  LYS  30           HE3      LYS  30 -11.422  -3.801   2.951
  Start of MODEL    4
 1026    HZ3  LYS  30           HZ1      LYS  30 -12.737  -5.661   2.904
  Start of MODEL    4
 1027    HZ1  LYS  30           HZ2      LYS  30 -13.100  -5.522   1.258
  Start of MODEL    4
 1028    HZ2  LYS  30           HZ3      LYS  30 -11.580  -6.078   1.744
  Start of MODEL    5
 1029    H1   MET   1           HT1      MET   1  25.719   2.915  -2.930
  Start of MODEL    5
 1030    H2   MET   1           HT2      MET   1  25.244   2.219  -1.470
  Start of MODEL    5
 1031    H3   MET   1           HT3      MET   1  26.516   3.325  -1.497
  Start of MODEL    5
 1032    HB3  MET   1           HB1      MET   1  24.323   6.206  -2.353
  Start of MODEL    5
 1033    HA   MET   1           HA       MET   1  24.583   4.390  -0.634
  Start of MODEL    5
 1034    HG3  MET   1           HG1      MET   1  26.677   6.906  -2.430
  Start of MODEL    5
 1035    HB2  MET   1           HB2      MET   1  25.282   5.225  -3.454
  Start of MODEL    5
 1036    HG2  MET   1           HG2      MET   1  27.158   5.304  -1.865
  Start of MODEL    5
 1037    HE2  MET   1           HE1      MET   1  27.754   7.730   1.244
  Start of MODEL    5
 1038    HE1  MET   1           HE2      MET   1  27.862   8.241  -0.439
  Start of MODEL    5
 1039    HE3  MET   1           HE3      MET   1  28.542   6.694   0.057
  Start of MODEL    5
 1040    HA   LEU   2           HA       LEU   2  21.276   3.251  -3.765
  Start of MODEL    5
 1041    HB2  LEU   2           HB2      LEU   2  22.674   0.772  -4.766
  Start of MODEL    5
 1042    HG   LEU   2           HG       LEU   2  23.824   2.747  -5.635
  Start of MODEL    5
 1043   HD13  LEU   2          HD11      LEU   2  23.619   0.847  -7.101
  Start of MODEL    5
 1044   HD12  LEU   2          HD12      LEU   2  23.461   2.335  -8.037
  Start of MODEL    5
 1045   HD11  LEU   2          HD13      LEU   2  22.027   1.388  -7.635
  Start of MODEL    5
 1046   HD21  LEU   2          HD21      LEU   2  22.038   4.379  -5.352
  Start of MODEL    5
 1047   HD23  LEU   2          HD22      LEU   2  21.102   3.593  -6.624
  Start of MODEL    5
 1048   HD22  LEU   2          HD23      LEU   2  22.634   4.379  -7.011
  Start of MODEL    5
 1049    H    LEU   2           HN       LEU   2  23.972   2.314  -3.286
  Start of MODEL    5
 1050    HB3  LEU   2           HB1      LEU   2  21.140   1.391  -5.346
  Start of MODEL    5
 1051    HA   ILE   3           HA       ILE   3  20.427   0.067  -0.637
  Start of MODEL    5
 1052    HB   ILE   3           HB       ILE   3  22.000   1.158   0.916
  Start of MODEL    5
 1053   HG12  ILE   3          HG12      ILE   3  20.112  -0.512   1.633
  Start of MODEL    5
 1054   HG22  ILE   3          HG21      ILE   3  21.220   2.970   2.395
  Start of MODEL    5
 1055   HG21  ILE   3          HG22      ILE   3  19.755   3.103   1.423
  Start of MODEL    5
 1056   HG23  ILE   3          HG23      ILE   3  21.326   3.450   0.704
  Start of MODEL    5
 1057   HD12  ILE   3          HD11      ILE   3  18.749   0.252   3.480
  Start of MODEL    5
 1058   HD11  ILE   3          HD12      ILE   3  18.334   1.102   1.993
  Start of MODEL    5
 1059   HD13  ILE   3          HD13      ILE   3  19.308   1.905   3.223
  Start of MODEL    5
 1060    H    ILE   3           HN       ILE   3  21.347   2.768  -1.176
  Start of MODEL    5
 1061   HG13  ILE   3          HG11      ILE   3  21.097   0.282   2.854
  Start of MODEL    5
 1062    HA   PHE   4           HA       PHE   4  16.782   3.130   0.321
  Start of MODEL    5
 1063    HB2  PHE   4           HB2      PHE   4  16.008   4.956  -1.204
  Start of MODEL    5
 1064    HD1  PHE   4           HD1      PHE   4  19.609   5.242  -1.787
  Start of MODEL    5
 1065    HD2  PHE   4           HD2      PHE   4  15.805   4.575  -3.579
  Start of MODEL    5
 1066    HE1  PHE   4           HE1      PHE   4  20.585   5.646  -4.006
  Start of MODEL    5
 1067    HE2  PHE   4           HE2      PHE   4  16.778   4.973  -5.802
  Start of MODEL    5
 1068    HZ   PHE   4           HZ       PHE   4  19.174   5.508  -6.019
  Start of MODEL    5
 1069    H    PHE   4           HN       PHE   4  19.180   3.275  -1.076
  Start of MODEL    5
 1070    HB3  PHE   4           HB1      PHE   4  17.575   5.249  -0.463
  Start of MODEL    5
 1071    HA   VAL   5           HA       VAL   5  14.986   1.497  -3.821
  Start of MODEL    5
 1072    HB   VAL   5           HB       VAL   5  17.033   1.357  -5.208
  Start of MODEL    5
 1073   HG12  VAL   5          HG11      VAL   5  17.392  -1.368  -3.977
  Start of MODEL    5
 1074   HG11  VAL   5          HG12      VAL   5  18.390   0.043  -3.638
  Start of MODEL    5
 1075   HG13  VAL   5          HG13      VAL   5  18.371  -0.656  -5.258
  Start of MODEL    5
 1076   HG23  VAL   5          HG21      VAL   5  15.269  -1.085  -5.352
  Start of MODEL    5
 1077   HG22  VAL   5          HG22      VAL   5  16.301  -0.483  -6.648
  Start of MODEL    5
 1078   HG21  VAL   5          HG23      VAL   5  14.939   0.485  -6.089
  Start of MODEL    5
 1079    H    VAL   5           HN       VAL   5  17.601   1.819  -2.819
  Start of MODEL    5
 1080    HA   HIS   6           HA       HIS   6  15.166  -2.637  -1.698
  Start of MODEL    5
 1081    HB2  HIS   6           HB2      HIS   6  17.606  -2.787  -1.254
  Start of MODEL    5
 1082    HD1  HIS   6           HD1      HIS   6  17.942  -3.809   1.890
  Start of MODEL    5
 1083    HD2  HIS   6           HD2      HIS   6  15.238  -5.047  -1.016
  Start of MODEL    5
 1084    HE1  HIS   6           HE1      HIS   6  17.231  -6.110   2.569
  Start of MODEL    5
 1085    HE2  HIS   6           HE2      HIS   6  15.536  -6.818   0.851
  Start of MODEL    5
 1086    H    HIS   6           HN       HIS   6  16.773  -0.226  -1.434
  Start of MODEL    5
 1087    HB3  HIS   6           HB1      HIS   6  17.360  -1.976   0.287
  Start of MODEL    5
 1088    HA   ILE   7           HA       ILE   7  13.045  -0.894   1.827
  Start of MODEL    5
 1089    HB   ILE   7           HB       ILE   7  15.032   0.303   2.735
  Start of MODEL    5
 1090   HG12  ILE   7          HG12      ILE   7  12.733   0.118   3.914
  Start of MODEL    5
 1091   HG23  ILE   7          HG21      ILE   7  15.214   2.057   1.062
  Start of MODEL    5
 1092   HG22  ILE   7          HG22      ILE   7  15.144   2.725   2.689
  Start of MODEL    5
 1093   HG21  ILE   7          HG23      ILE   7  13.722   2.789   1.651
  Start of MODEL    5
 1094   HD13  ILE   7          HD11      ILE   7  12.770   3.086   3.432
  Start of MODEL    5
 1095   HD12  ILE   7          HD12      ILE   7  11.731   2.237   4.579
  Start of MODEL    5
 1096   HD11  ILE   7          HD13      ILE   7  11.557   1.945   2.851
  Start of MODEL    5
 1097    H    ILE   7           HN       ILE   7  14.678   0.309  -0.310
  Start of MODEL    5
 1098   HG13  ILE   7          HG11      ILE   7  13.922   1.235   4.566
  Start of MODEL    5
 1099    HA   ILE   8           HA       ILE   8  10.848   2.989   0.152
  Start of MODEL    5
 1100    HB   ILE   8           HB       ILE   8  10.941   4.113  -2.040
  Start of MODEL    5
 1101   HG12  ILE   8          HG12      ILE   8  13.413   2.432  -2.513
  Start of MODEL    5
 1102   HG22  ILE   8          HG21      ILE   8  13.089   5.272  -1.674
  Start of MODEL    5
 1103   HG21  ILE   8          HG22      ILE   8  13.547   4.013  -0.527
  Start of MODEL    5
 1104   HG23  ILE   8          HG23      ILE   8  12.166   5.056  -0.186
  Start of MODEL    5
 1105   HD12  ILE   8          HD11      ILE   8  13.408   3.367  -4.751
  Start of MODEL    5
 1106   HD11  ILE   8          HD12      ILE   8  13.621   4.621  -3.530
  Start of MODEL    5
 1107   HD13  ILE   8          HD13      ILE   8  12.058   4.416  -4.320
  Start of MODEL    5
 1108    H    ILE   8           HN       ILE   8  13.280   1.736  -0.562
  Start of MODEL    5
 1109   HG13  ILE   8          HG11      ILE   8  11.866   2.181  -3.320
  Start of MODEL    5
 1110    HA   ALA   9           HA       ALA   9   8.741   0.275  -2.848
  Start of MODEL    5
 1111    HB2  ALA   9           HB1      ALA   9  11.014  -1.382  -3.930
  Start of MODEL    5
 1112    HB1  ALA   9           HB2      ALA   9  10.460   0.151  -4.591
  Start of MODEL    5
 1113    HB3  ALA   9           HB3      ALA   9   9.393  -1.249  -4.601
  Start of MODEL    5
 1114    H    ALA   9           HN       ALA   9  11.526   0.259  -1.944
  Start of MODEL    5
 1115    HA   PRO  10           HA       PRO  10   9.057  -4.274  -1.358
  Start of MODEL    5
 1116    HB2  PRO  10           HB2      PRO  10  11.470  -4.599   0.251
  Start of MODEL    5
 1117    HG2  PRO  10           HG2      PRO  10  13.060  -3.803  -1.219
  Start of MODEL    5
 1118    HD2  PRO  10           HD2      PRO  10  11.977  -1.822  -0.623
  Start of MODEL    5
 1119    HB3  PRO  10           HB1      PRO  10  10.959  -5.500  -1.179
  Start of MODEL    5
 1120    HG3  PRO  10           HG1      PRO  10  12.013  -4.055  -2.628
  Start of MODEL    5
 1121    HD3  PRO  10           HD1      PRO  10  11.867  -1.743  -2.391
  Start of MODEL    5
 1122    HA   VAL  11           HA       VAL  11   8.589  -3.046   2.977
  Start of MODEL    5
 1123    HB   VAL  11           HB       VAL  11  10.215  -0.498   2.954
  Start of MODEL    5
 1124   HG13  VAL  11          HG11      VAL  11   8.528  -0.568   4.738
  Start of MODEL    5
 1125   HG12  VAL  11          HG12      VAL  11  10.168  -0.655   5.381
  Start of MODEL    5
 1126   HG11  VAL  11          HG13      VAL  11   9.182  -2.114   5.282
  Start of MODEL    5
 1127   HG21  VAL  11          HG21      VAL  11  11.577  -2.473   2.460
  Start of MODEL    5
 1128   HG23  VAL  11          HG22      VAL  11  10.953  -3.267   3.905
  Start of MODEL    5
 1129   HG22  VAL  11          HG23      VAL  11  11.953  -1.823   4.054
  Start of MODEL    5
 1130    H    VAL  11           HN       VAL  11   9.630  -1.607   0.619
  Start of MODEL    5
 1131    HA   ILE  12           HA       ILE  12   6.416   1.179   2.859
  Start of MODEL    5
 1132    HB   ILE  12           HB       ILE  12   7.391   1.993   0.113
  Start of MODEL    5
 1133   HG12  ILE  12          HG12      ILE  12   8.092   3.032   2.875
  Start of MODEL    5
 1134   HG23  ILE  12          HG21      ILE  12   5.122   2.792   0.613
  Start of MODEL    5
 1135   HG22  ILE  12          HG22      ILE  12   6.283   4.115   0.520
  Start of MODEL    5
 1136   HG21  ILE  12          HG23      ILE  12   5.721   3.540   2.091
  Start of MODEL    5
 1137   HD11  ILE  12          HD11      ILE  12   8.048   4.916   1.367
  Start of MODEL    5
 1138   HD13  ILE  12          HD12      ILE  12   9.013   4.028   0.189
  Start of MODEL    5
 1139   HD12  ILE  12          HD13      ILE  12   9.716   4.484   1.739
  Start of MODEL    5
 1140    H    ILE  12           HN       ILE  12   8.571   0.133   1.383
  Start of MODEL    5
 1141   HG13  ILE  12          HG11      ILE  12   9.161   2.150   1.790
  Start of MODEL    5
 1142    HA   SER  13           HA       SER  13   3.945  -0.471  -0.932
  Start of MODEL    5
 1143    HB2  SER  13           HB2      SER  13   5.732  -1.842  -2.034
  Start of MODEL    5
 1144    HG   SER  13           HG       SER  13   4.320  -3.152  -3.032
  Start of MODEL    5
 1145    H    SER  13           HN       SER  13   6.494  -0.981   0.170
  Start of MODEL    5
 1146    HB3  SER  13           HB1      SER  13   5.423  -3.114  -0.858
  Start of MODEL    5
 1147    HA2  GLY  14           HA2      GLY  14   2.808  -3.739   2.388
  Start of MODEL    5
 1148    H    GLY  14           HN       GLY  14   4.851  -1.804   2.051
  Start of MODEL    5
 1149    HA3  GLY  14           HA1      GLY  14   3.747  -2.995   3.669
  Start of MODEL    5
 1150    HA   CYS  15           HA       CYS  15   0.652  -0.157   4.634
  Start of MODEL    5
 1151    HB2  CYS  15           HB2      CYS  15   0.733   2.254   4.267
  Start of MODEL    5
 1152    HG   CYS  15           HG       CYS  15   3.103   1.776   1.847
  Start of MODEL    5
 1153    H    CYS  15           HN       CYS  15   2.865  -0.277   2.853
  Start of MODEL    5
 1154    HB3  CYS  15           HB1      CYS  15   2.352   1.606   4.492
  Start of MODEL    5
 1155    HA   ALA  16           HA       ALA  16  -1.506   0.601   0.361
  Start of MODEL    5
 1156    HB2  ALA  16           HB1      ALA  16  -1.392  -0.964  -1.512
  Start of MODEL    5
 1157    HB1  ALA  16           HB2      ALA  16  -0.205  -1.931  -0.637
  Start of MODEL    5
 1158    HB3  ALA  16           HB3      ALA  16   0.192  -0.289  -1.141
  Start of MODEL    5
 1159    H    ALA  16           HN       ALA  16   0.838  -0.639   1.271
  Start of MODEL    5
 1160    HA   ILE  17           HA       ILE  17  -3.480  -3.572   1.606
  Start of MODEL    5
 1161    HB   ILE  17           HB       ILE  17  -1.778  -3.848   4.094
  Start of MODEL    5
 1162   HG12  ILE  17          HG12      ILE  17  -0.472  -4.274   2.048
  Start of MODEL    5
 1163   HG22  ILE  17          HG21      ILE  17  -2.799  -6.085   4.256
  Start of MODEL    5
 1164   HG21  ILE  17          HG22      ILE  17  -3.843  -5.682   2.890
  Start of MODEL    5
 1165   HG23  ILE  17          HG23      ILE  17  -3.979  -4.782   4.399
  Start of MODEL    5
 1166   HD12  ILE  17          HD11      ILE  17  -0.984  -6.117   0.575
  Start of MODEL    5
 1167   HD11  ILE  17          HD12      ILE  17  -2.266  -4.907   0.515
  Start of MODEL    5
 1168   HD13  ILE  17          HD13      ILE  17  -2.504  -6.400   1.426
  Start of MODEL    5
 1169    H    ILE  17           HN       ILE  17  -1.031  -2.275   2.225
  Start of MODEL    5
 1170   HG13  ILE  17          HG11      ILE  17  -0.735  -5.755   2.955
  Start of MODEL    5
 1171    HA   ALA  18           HA       ALA  18  -5.125  -1.121   5.173
  Start of MODEL    5
 1172    HB1  ALA  18           HB1      ALA  18  -2.712   0.626   5.647
  Start of MODEL    5
 1173    HB3  ALA  18           HB2      ALA  18  -3.090  -0.867   6.506
  Start of MODEL    5
 1174    HB2  ALA  18           HB3      ALA  18  -4.149   0.532   6.665
  Start of MODEL    5
 1175    H    ALA  18           HN       ALA  18  -2.550  -1.042   3.783
  Start of MODEL    5
 1176    HA   PHE  19           HA       PHE  19  -5.381   2.711   2.650
  Start of MODEL    5
 1177    HB2  PHE  19           HB2      PHE  19  -2.988   2.788   1.905
  Start of MODEL    5
 1178    HD1  PHE  19           HD1      PHE  19  -3.409   5.133   2.064
  Start of MODEL    5
 1179    HD2  PHE  19           HD2      PHE  19  -4.896   2.886  -1.236
  Start of MODEL    5
 1180    HE1  PHE  19           HE1      PHE  19  -3.975   7.222   0.894
  Start of MODEL    5
 1181    HE2  PHE  19           HE2      PHE  19  -5.458   4.974  -2.408
  Start of MODEL    5
 1182    HZ   PHE  19           HZ       PHE  19  -4.907   7.166  -1.351
  Start of MODEL    5
 1183    H    PHE  19           HN       PHE  19  -3.901   0.187   2.403
  Start of MODEL    5
 1184    HB3  PHE  19           HB1      PHE  19  -3.448   1.871   0.478
  Start of MODEL    5
 1185    HA   PHE  20           HA       PHE  20  -6.973   0.756  -1.360
  Start of MODEL    5
 1186    HB2  PHE  20           HB2      PHE  20  -4.984  -0.720  -1.844
  Start of MODEL    5
 1187    HD1  PHE  20           HD1      PHE  20  -6.661  -3.584  -2.357
  Start of MODEL    5
 1188    HD2  PHE  20           HD2      PHE  20  -6.828   0.487  -3.554
  Start of MODEL    5
 1189    HE1  PHE  20           HE1      PHE  20  -7.852  -4.248  -4.400
  Start of MODEL    5
 1190    HE2  PHE  20           HE2      PHE  20  -8.017  -0.160  -5.608
  Start of MODEL    5
 1191    HZ   PHE  20           HZ       PHE  20  -8.471  -2.508  -6.075
  Start of MODEL    5
 1192    H    PHE  20           HN       PHE  20  -4.918  -0.011   0.434
  Start of MODEL    5
 1193    HB3  PHE  20           HB1      PHE  20  -5.810  -2.003  -0.969
  Start of MODEL    5
 1194    HA   SER  21           HA       SER  21  -9.319  -2.509   1.314
  Start of MODEL    5
 1195    HB2  SER  21           HB2      SER  21  -9.319  -2.492   3.838
  Start of MODEL    5
 1196    HG   SER  21           HG       SER  21  -7.627  -1.458   4.864
  Start of MODEL    5
 1197    H    SER  21           HN       SER  21  -6.960  -1.012   1.616
  Start of MODEL    5
 1198    HB3  SER  21           HB1      SER  21  -7.811  -3.030   3.104
  Start of MODEL    5
 1199    HA   TYR  22           HA       TYR  22 -11.584   1.146   3.216
  Start of MODEL    5
 1200    HB2  TYR  22           HB2      TYR  22  -9.830   2.139   4.657
  Start of MODEL    5
 1201    HD1  TYR  22           HD1      TYR  22 -12.473   2.366   5.079
  Start of MODEL    5
 1202    HD2  TYR  22           HD2      TYR  22 -10.014   5.322   3.274
  Start of MODEL    5
 1203    HE1  TYR  22           HE1      TYR  22 -14.100   4.096   5.725
  Start of MODEL    5
 1204    HE2  TYR  22           HE2      TYR  22 -11.627   7.068   3.914
  Start of MODEL    5
 1205    HH   TYR  22           HH       TYR  22 -14.173   6.508   6.108
  Start of MODEL    5
 1206    H    TYR  22           HN       TYR  22  -8.781   0.708   2.740
  Start of MODEL    5
 1207    HB3  TYR  22           HB1      TYR  22  -9.284   3.115   3.298
  Start of MODEL    5
 1208    HA   TRP  23           HA       TRP  23 -10.724   3.694  -0.732
  Start of MODEL    5
 1209    HB2  TRP  23           HB2      TRP  23  -8.363   2.772  -1.130
  Start of MODEL    5
 1210    HD1  TRP  23           HD1      TRP  23  -8.357   5.218  -2.218
  Start of MODEL    5
 1211    HE1  TRP  23           HE1      TRP  23  -8.699   6.022  -4.639
  Start of MODEL    5
 1212    HE3  TRP  23           HE3      TRP  23 -10.423   0.975  -4.188
  Start of MODEL    5
 1213    HZ2  TRP  23           HZ2      TRP  23  -9.721   4.991  -7.059
  Start of MODEL    5
 1214    HZ3  TRP  23           HZ3      TRP  23 -11.057   0.967  -6.568
  Start of MODEL    5
 1215    HH2  TRP  23           HH2      TRP  23 -10.712   2.936  -7.973
  Start of MODEL    5
 1216    H    TRP  23           HN       TRP  23  -9.406   1.595   0.633
  Start of MODEL    5
 1217    HB3  TRP  23           HB1      TRP  23  -9.133   1.477  -2.036
  Start of MODEL    5
 1218    HA   LEU  24           HA       LEU  24 -12.852   0.142  -3.044
  Start of MODEL    5
 1219    HB2  LEU  24           HB2      LEU  24 -12.081  -1.970  -1.045
  Start of MODEL    5
 1220    HG   LEU  24           HG       LEU  24 -10.330  -1.452  -2.715
  Start of MODEL    5
 1221   HD13  LEU  24          HD11      LEU  24 -10.499  -3.686  -1.811
  Start of MODEL    5
 1222   HD12  LEU  24          HD12      LEU  24 -10.071  -3.768  -3.520
  Start of MODEL    5
 1223   HD11  LEU  24          HD13      LEU  24 -11.723  -4.107  -3.007
  Start of MODEL    5
 1224   HD22  LEU  24          HD21      LEU  24 -10.763  -2.053  -5.065
  Start of MODEL    5
 1225   HD21  LEU  24          HD22      LEU  24 -11.728  -0.679  -4.533
  Start of MODEL    5
 1226   HD23  LEU  24          HD23      LEU  24 -12.466  -2.272  -4.677
  Start of MODEL    5
 1227    H    LEU  24           HN       LEU  24 -10.910   0.146  -0.979
  Start of MODEL    5
 1228    HB3  LEU  24           HB1      LEU  24 -13.215  -2.245  -2.352
  Start of MODEL    5
 1229    HA   SER  25           HA       SER  25 -15.883  -0.462   0.497
  Start of MODEL    5
 1230    HB2  SER  25           HB2      SER  25 -15.594   0.564   2.909
  Start of MODEL    5
 1231    HG   SER  25           HG       SER  25 -12.931  -0.164   2.504
  Start of MODEL    5
 1232    H    SER  25           HN       SER  25 -13.113   0.219   0.454
  Start of MODEL    5
 1233    HB3  SER  25           HB1      SER  25 -14.899  -1.003   2.496
  Start of MODEL    5
 1234    HA   ARG  26           HA       ARG  26 -16.492   4.103   0.416
  Start of MODEL    5
 1235    HB2  ARG  26           HB2      ARG  26 -13.878   4.700  -0.969
  Start of MODEL    5
 1236    HG2  ARG  26           HG2      ARG  26 -13.653   4.375   1.450
  Start of MODEL    5
 1237    HD2  ARG  26           HD2      ARG  26 -15.889   4.980   2.192
  Start of MODEL    5
 1238    HE   ARG  26           HE       ARG  26 -16.435   6.905   0.853
  Start of MODEL    5
 1239   HH11  ARG  26          HH11      ARG  26 -14.358   7.543   3.626
  Start of MODEL    5
 1240   HH12  ARG  26          HH12      ARG  26 -14.706   9.244   3.634
  Start of MODEL    5
 1241   HH21  ARG  26          HH21      ARG  26 -16.883   9.139   0.909
  Start of MODEL    5
 1242   HH22  ARG  26          HH22      ARG  26 -16.160  10.133   2.135
  Start of MODEL    5
 1243    H    ARG  26           HN       ARG  26 -14.182   2.439  -0.136
  Start of MODEL    5
 1244    HB3  ARG  26           HB1      ARG  26 -15.136   5.891  -0.683
  Start of MODEL    5
 1245    HG3  ARG  26           HG1      ARG  26 -13.339   6.041   0.961
  Start of MODEL    5
 1246    HD3  ARG  26           HD1      ARG  26 -14.662   5.947   3.006
  Start of MODEL    5
 1247    HA   ARG  27           HA       ARG  27 -16.936   3.362  -4.133
  Start of MODEL    5
 1248    HB2  ARG  27           HB2      ARG  27 -15.229   0.942  -3.924
  Start of MODEL    5
 1249    HG2  ARG  27           HG2      ARG  27 -14.206   1.660  -5.932
  Start of MODEL    5
 1250    HD2  ARG  27           HD2      ARG  27 -13.923   3.064  -3.713
  Start of MODEL    5
 1251    HE   ARG  27           HE       ARG  27 -15.740   4.690  -4.494
  Start of MODEL    5
 1252   HH11  ARG  27          HH11      ARG  27 -12.324   5.101  -5.130
  Start of MODEL    5
 1253   HH12  ARG  27          HH12      ARG  27 -12.434   6.814  -5.347
  Start of MODEL    5
 1254   HH21  ARG  27          HH21      ARG  27 -15.905   6.928  -4.774
  Start of MODEL    5
 1255   HH22  ARG  27          HH22      ARG  27 -14.489   7.872  -5.129
  Start of MODEL    5
 1256    H    ARG  27           HN       ARG  27 -15.548   1.980  -1.983
  Start of MODEL    5
 1257    HB3  ARG  27           HB1      ARG  27 -16.452   0.934  -5.180
  Start of MODEL    5
 1258    HG3  ARG  27           HG1      ARG  27 -15.476   2.840  -6.235
  Start of MODEL    5
 1259    HD3  ARG  27           HD1      ARG  27 -13.128   3.523  -5.221
  Start of MODEL    5
 1260    HA   ASN  28           HA       ASN  28 -20.049   0.463  -2.311
  Start of MODEL    5
 1261    HB2  ASN  28           HB2      ASN  28 -19.797  -0.417  -4.587
  Start of MODEL    5
 1262   HD21  ASN  28          HD21      ASN  28 -21.696  -0.481  -2.438
  Start of MODEL    5
 1263   HD22  ASN  28          HD22      ASN  28 -22.610  -1.938  -2.607
  Start of MODEL    5
 1264    H    ASN  28           HN       ASN  28 -17.185   0.253  -2.431
  Start of MODEL    5
 1265    HB3  ASN  28           HB1      ASN  28 -18.782  -1.722  -3.982
  Start of MODEL    5
 1266    HA   THR  29           HA       THR  29 -18.018  -2.552   0.547
  Start of MODEL    5
 1267    HB   THR  29           HB       THR  29 -19.751  -3.894  -0.644
  Start of MODEL    5
 1268    HG1  THR  29           HG1      THR  29 -18.676  -4.615   1.361
  Start of MODEL    5
 1269   HG22  THR  29          HG21      THR  29 -19.026  -5.871  -1.930
  Start of MODEL    5
 1270   HG21  THR  29          HG22      THR  29 -17.364  -5.288  -1.842
  Start of MODEL    5
 1271   HG23  THR  29          HG23      THR  29 -18.580  -4.351  -2.709
  Start of MODEL    5
 1272    H    THR  29           HN       THR  29 -17.516  -2.044  -2.258
  Start of MODEL    5
 1273    HA   LYS  30           HA       LYS  30 -14.099  -4.544  -0.428
  Start of MODEL    5
 1274    HB2  LYS  30           HB2      LYS  30 -13.644  -2.987   1.340
  Start of MODEL    5
 1275    HG2  LYS  30           HG2      LYS  30 -11.873  -4.033   2.633
  Start of MODEL    5
 1276    HD2  LYS  30           HD2      LYS  30 -12.171  -4.582  -0.257
  Start of MODEL    5
 1277    HE2  LYS  30           HE2      LYS  30 -10.034  -5.749  -0.389
  Start of MODEL    5
 1278    HZ1  LYS  30           HZ1      LYS  30 -12.200  -7.019  -0.103
  Start of MODEL    5
 1279    HZ3  LYS  30           HZ2      LYS  30 -11.717  -7.287   1.495
  Start of MODEL    5
 1280    HZ2  LYS  30           HZ3      LYS  30 -10.771  -7.866   0.221
  Start of MODEL    5
 1281    H    LYS  30           HN       LYS  30 -16.576  -4.633   1.131
  Start of MODEL    5
 1282    HB3  LYS  30           HB1      LYS  30 -14.310  -4.073   2.548
  Start of MODEL    5
 1283    HG3  LYS  30           HG1      LYS  30 -12.477  -5.632   2.200
  Start of MODEL    5
 1284    HD3  LYS  30           HD1      LYS  30 -10.913  -3.696   0.607
  Start of MODEL    5
 1285    HE3  LYS  30           HE1      LYS  30  -9.935  -5.791   1.370

  No H/Q in entry =        1285