============================================================================= 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. TRP 13 1.040 12.939 23.691 32.779 -99.200 -91.000 TRP6 13 1.020 12.137 22.849 34.841 -99.200 -91.000 TYR 17 0.840 19.023 31.677 36.662 -99.200 -91.000 TRP 53 1.040 25.244 20.697 26.487 -99.200 -91.000 TRP6 53 1.020 26.935 19.669 27.741 -99.200 -91.000 HIS 74 0.900 18.688 20.354 36.520 -99.200 -91.000 TRP 115 1.040 27.308 27.153 46.430 -99.200 -91.000 TRP6 115 1.020 26.913 29.399 47.079 -99.200 -91.000 HIS 118 0.900 17.623 22.593 46.895 -99.200 -91.000 PHE 122 1.000 21.028 30.340 47.586 -99.200 -91.000 TRP 126 1.040 14.792 28.859 55.300 -99.200 -91.000 TRP6 126 1.020 13.078 27.774 56.482 -99.200 -91.000 HIS 149 0.900 -6.627 28.338 39.902 -99.200 -91.000 TYR 152 0.840 -3.822 22.249 35.161 -99.200 -91.000 TRP 160 1.040 10.190 13.541 41.402 -99.200 -91.000 TRP6 160 1.020 12.392 12.985 42.016 -99.200 -91.000 TRP 162 1.040 4.733 23.197 41.539 -99.200 -91.000 TRP6 162 1.020 2.514 23.806 42.078 -99.200 -91.000 HIS 165 0.900 10.475 27.020 46.874 -99.200 -91.000 TRP 183 1.040 -0.532 11.616 44.848 -99.200 -91.000 TRP6 183 1.020 -0.308 13.502 43.461 -99.200 -91.000 PHE 203 1.000 12.330 15.763 59.468 -99.200 -91.000 HIS 209 0.900 1.513 16.426 58.366 -99.200 -91.000 PHE 224 1.000 1.855 25.097 63.163 -99.200 -91.000 HIS 242 0.900 0.782 34.604 63.221 -99.200 -91.000 TRP 250 1.040 -2.562 26.825 56.880 -99.200 -91.000 TRP6 250 1.020 -0.264 27.085 56.429 -99.200 -91.000 HIS 256 0.900 6.485 41.699 66.644 -99.200 -91.000 PHE 272 1.000 27.603 29.758 41.330 -99.200 -91.000