============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 -15.601 -77.438 4.513 -99.200 -91.000 TYR 14 0.840 -3.750 -83.401 0.347 -99.200 -91.000 TYR 22 0.840 -15.981 -88.095 -18.857 -99.200 -91.000 HIS 23 0.900 -12.950 -85.181 -11.441 -99.200 -91.000 PHE 24 1.000 -11.042 -91.184 -15.066 -99.200 -91.000 TRP 34 1.040 6.184 -92.868 -8.725 -99.200 -91.000 TRP6 34 1.020 5.447 -94.931 -9.608 -99.200 -91.000 HIS 40 0.900 -13.475 -97.310 -7.891 -99.200 -91.000 TYR 42 0.840 -6.610 -99.852 -16.623 -99.200 -91.000 HIS 53 0.900 -11.249 -73.518 -5.780 -99.200 -91.000 PHE 64 1.000 -4.581 -79.176 -17.857 -99.200 -91.000 HIS 73 0.900 -2.479-105.042 -3.806 -99.200 -91.000 PHE 76 1.000 -9.890-103.520 -8.238 -99.200 -91.000 TRP 121 1.040 -13.010 -80.531 -8.431 -99.200 -91.000 TRP6 121 1.020 -10.774 -81.277 -8.227 -99.200 -91.000 TYR 145 0.840 -21.491-100.240 3.705 -99.200 -91.000 PHE 158 1.000 -20.300 -86.955 9.865 -99.200 -91.000 TRP 186 1.040 -16.697-100.290 -1.249 -99.200 -91.000 TRP6 186 1.020 -18.494-101.322 -0.103 -99.200 -91.000 TYR 188 0.840 -24.076-101.536 -0.104 -99.200 -91.000 TYR 199 0.840 -13.956 -92.867 2.520 -99.200 -91.000 TYR 205 0.840 -3.528-101.931 0.399 -99.200 -91.000 TRP 208 1.040 1.846-103.018 -4.130 -99.200 -91.000 TRP6 208 1.020 0.474-101.308 -5.025 -99.200 -91.000