*** Parameters for distance restraints form NMR-data *** 14 **** HN for all types 1 a1y -0.52804E+00 2 a2y -0.13290E+01 3 a3y 0.15368E+00 4 a1z 0.19909E+00 5 a2z 0.16324E+01 6 a3z 0.10702E+01 7 b1y 0.25855E+00 8 b2y 0.15256E+00 9 b3y -0.71847E+00 10 b1z 0.11586E+00 11 b2z -0.43965E+00 12 b3z -0.43010E-01 13 delta 0.21388E+01 14 epsil 0.11464E+01 2 **** HA for glycines 1 alpha 0.17959E+03 2 bondLength 0.55574E+00 8 **** HA for prolines 1 alpha 0.11056E+03 2 a1 -0.19851E+01 3 a2 0.18497E+00 4 a3 -0.10107E+01 5 a4 0.27010E+00 6 a5 -0.27306E+00 7 a6 0.29012E+00 8 bondLength 0.10333E+01 8 **** HA for others amino-acids 1 alpha 0.11240E+03 2 a1 -0.23584E+00 3 a2 -0.82378E-01 4 a3 -0.95702E-01 5 a4 -0.16562E+00 6 a5 -0.92429E-01 7 a6 0.67481E-01 8 bondLength 0.10650E+01 21 **** HB for all types 1 alpha0 0.13675E+03 2 a1 0.20380E+00 3 a2 0.25507E+00 4 a3 0.44817E+00 5 a4 0.51953E+00 6 a5 0.30544E+00 7 a6 0.11575E+00 8 beta 0.25797E+01 9 b1 -0.14925E+01 10 b2 -0.16393E+01 11 b3 -0.21575E+01 12 b4 -0.78699E+00 13 b5 -0.43214E+00 14 b6 0.25522E+00 15 c1 0.16876E+01 16 c2 0.16691E+01 17 c3 0.12863E+01 18 c4 0.11205E+01 19 c5 0.58898E+00 20 c6 0.27280E+00 21 bondLength 0.18145E+01 3 2.740 ! Cys, HG 5 0.924 0.000 2.059 ! Met, HE 6 0.000 0.888 1.653 2.026 ! Phe, HZ 4 1.090 2.167 ! Ile, HD 4 1.182 1.638 ! Leu, HD 3 1.602 ! Val, HG 7 0.000 0.945 1.089 1.547 1.807 ! Trp, HH 7 0.000 0.785 1.485 0.000 1.877 ! Tyr, HH 2 ! Ala, HB 1 ! Gly, HA 3 1.797 ! Thr, HD 3 2.600 ! Ser, HG 5 0.821 0.000 1.456 ! Gln, HD 4 0.000 1.123 ! Asn, HD 5 0.823 0.000 1.796 ! Glu, HG 4 0.000 1.646 ! Asp, HD 5 0.000 1.089 2.109 ! His, HE 7 0.594 0.961 1.152 0.000 1.770 ! Arg, HH 6 0.760 1.246 1.548 2.130 ! Lys, HZ 4 2.325 1.505 ! Pro, HD 5 0.924 0.000 2.059 ! Sme, HD 5 1.00 1.500 2.000 ! Dbz, HD 2 ! Aib, HB 3 2.090 ! Abu, HG 5 1.00 1.500 2.000 ! Dbz, HD 2 ! Aib, HB 3 2.090 ! Abu, HG