============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 29 0.840 67.799 7.730 263.045 -99.200 -91.000 PHE 32 1.000 73.804 9.077 258.769 -99.200 -91.000 TYR 33 0.840 70.299 17.189 262.216 -99.200 -91.000 TYR 38 0.840 78.671 13.853 255.485 -99.200 -91.000 HIS 39 0.900 72.992 22.391 253.637 -99.200 -91.000 TRP 40 1.040 75.991 24.177 257.517 -99.200 -91.000 TRP6 40 1.020 76.227 23.642 259.794 -99.200 -91.000 PHE 47 1.000 77.429 25.264 247.250 -99.200 -91.000 PHE 48 1.000 74.716 26.593 242.904 -99.200 -91.000 HIS 51 0.900 73.720 24.503 250.323 -99.200 -91.000 PHE 54 1.000 75.660 15.877 250.874 -99.200 -91.000 TYR 58 0.840 70.180 19.596 257.007 -99.200 -91.000 HIS 80 0.900 67.249 15.060 278.138 -99.200 -91.000 PHE 82 1.000 74.893 19.198 270.894 -99.200 -91.000 TYR 85 0.840 71.718 12.768 271.671 -99.200 -91.000 HIS 94 0.900 83.135 11.821 257.236 -99.200 -91.000 PHE 110 1.000 70.600 7.209 255.643 -99.200 -91.000 HIS 115 0.900 73.442 -5.344 262.364 -99.200 -91.000 TYR 138 0.840 62.207 5.801 262.125 -99.200 -91.000 TRP 147 1.040 68.155 2.097 243.762 -99.200 -91.000 TRP6 147 1.020 66.250 3.413 243.415 -99.200 -91.000 TRP 151 1.040 75.457 11.292 243.022 -99.200 -91.000 TRP6 151 1.020 77.656 11.578 243.859 -99.200 -91.000