============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 1 0.900 32.332 40.796 0.813 -99.200 -91.000 TYR 50 0.840 28.797 25.795 -27.945 -99.200 -91.000 PHE 55 1.000 25.563 32.202 -32.733 -99.200 -91.000 PHE 63 1.000 26.641 26.125 -13.978 -99.200 -91.000 PHE 70 1.000 31.169 25.178 -23.857 -99.200 -91.000 PHE 79 1.000 28.873 19.542 -12.639 -99.200 -91.000 PHE 80 1.000 23.060 16.326 -9.586 -99.200 -91.000 PHE 88 1.000 8.620 9.260 -12.090 -99.200 -91.000 TRP 104 1.040 20.079 17.766 -29.177 -99.200 -91.000 TRP6 104 1.020 18.377 19.186 -30.028 -99.200 -91.000 PHE 111 1.000 7.496 16.262 -16.385 -99.200 -91.000 TYR 120 0.840 -0.060 8.575 -9.894 -99.200 -91.000 PHE 130 1.000 14.269 10.217 -10.116 -99.200 -91.000 PHE 133 1.000 12.547 22.601 -11.439 -99.200 -91.000 TYR 134 0.840 6.562 25.338 -17.673 -99.200 -91.000 TYR 137 0.840 10.921 27.473 -25.191 -99.200 -91.000 TRP 139 1.040 5.102 20.640 -16.205 -99.200 -91.000 TRP6 139 1.020 4.714 21.033 -13.911 -99.200 -91.000 HIS 140 0.900 13.025 21.903 -17.095 -99.200 -91.000 PHE 149 1.000 25.889 20.699 -8.399 -99.200 -91.000 TYR 157 0.840 34.709 32.378 -12.409 -99.200 -91.000 TYR 161 0.840 27.772 31.405 -0.303 -99.200 -91.000 PHE 175 1.000 16.867 35.712 -6.178 -99.200 -91.000 PHE 197 1.000 17.604 48.025 -8.049 -99.200 -91.000 TYR 201 0.840 12.990 50.197 -16.308 -99.200 -91.000 TYR 203 0.840 7.594 40.536 -19.799 -99.200 -91.000 PHE 211 1.000 24.271 43.354 -15.206 -99.200 -91.000 HIS 213 0.900 21.073 49.101 -6.424 -99.200 -91.000 PHE 214 1.000 23.253 45.177 -6.813 -99.200 -91.000