Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.52 L 0.23 R 0.12 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.7966 CA :: 44.5152 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0096 HA3 :: 4.392 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 G 0.1 K 0.09 C Shift Assignments>> C :: 174.7953 CA :: 55.3671 CB :: 32.0177 CG :: 27.8226 CD :: 43.634 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6586 HA :: 5.3411 HB2 :: 1.6445 HB3 :: 1.9278 HG2 :: 1.4764 HG3 :: 1.6879 HD2 :: 3.1901 HD3 :: 3.2573 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4014 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 174.595 CA :: 59.5259 CB :: 41.3629 CG1 :: 27.9836 CG2 :: 17.1706 CD1 :: 12.9611 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1464 HA :: 4.6694 HB :: 1.5228 HG12 :: 0.8402 HG13 :: 1.3977 HG21 :: 0.5893 HG22 :: 0.5893 HG23 :: 0.5893 HD11 :: 0.1224 HD12 :: 0.1224 HD13 :: 0.1224 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.3003 Ave N Shift Values>> N :: 121.46(4.28) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 173.1147 CA :: 60.3524 CB :: 34.3098 CG1 :: 22.5371 CG2 :: 21.9695 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0985 HA :: 5.0834 HB :: 1.8396 HG11 :: 0.9781 HG12 :: 0.9781 HG13 :: 0.9781 HG21 :: 0.9332 HG22 :: 0.9332 HG23 :: 0.9332 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.2647 Ave N Shift Values>> N :: 121.14(4.54) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.21 L 0.11 A 0.01 C Shift Assignments>> C :: 173.7747 CA :: 52.8921 CB :: 46.0344 CG :: 27.9583 CD1 :: 27.119 CD2 :: 24.2474 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.1799 HA :: 5.2064 HB2 :: 1.0675 HB3 :: 1.8015 HG :: 1.4444 HD11 :: 0.5958 HD12 :: 0.5958 HD13 :: 0.5958 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.9769 Ave N Shift Values>> N :: 121.86(3.9) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.1264 CA :: 60.6213 CB :: 31.7841 CG1 :: 21.1478 CG2 :: 20.1805 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1187 HA :: 5.0324 HB :: 1.9167 HG11 :: 0.6106 HG12 :: 0.6106 HG13 :: 0.6106 HG21 :: 0.0059 HG22 :: 0.0059 HG23 :: 0.0059 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.2667 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4666 CA :: 56.8634 CB :: 64.2244 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1335 HA :: 4.8226 HB2 :: 3.4901 HB3 :: 3.9151 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0172 Ave N Shift Values>> N :: 116.28(3.52) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 M 0.14 I 0.01 Q 0.01 K 0.01 HN Overlap>> 1.Q86 1.Q86 C Shift Assignments>> C :: 176.2795 CA :: 56.7869 CB :: 31.1477 CG :: 36.8306 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3115 HA :: 4.7961 HB2 :: 2.1929 HB3 :: 2.2771 HG2 :: 2.3371 HG3 :: 2.486 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.8765 Ave N Shift Values>> N :: 120.67(3.48) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.28 K 0.13 R 0.08 F 0.05 N 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.6676 CA :: 53.6235 CB :: 42.0929 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4242 HA :: 4.7672 HB2 :: 2.6476 HB3 :: 2.8559 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2303 Ave N Shift Values>> N :: 120.65(3.86) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.17 K 0.05 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.7792 CA :: 60.0106 CB :: 29.7187 CG :: 36.1616 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2531 HA :: 3.7041 HB2 :: 2.1313 HB3 :: 2.2702 HG2 :: 2.2142 HG3 :: 2.3627 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 131.16 Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 181.1305 CA :: 55.6045 CB :: 17.8696 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5243 HA :: 4.0198 HB1 :: 1.4632 HB2 :: 1.4632 HB3 :: 1.4632 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5647 Ave N Shift Values>> N :: 123.23(3.54) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.0215 CA :: 66.0097 CB :: 68.2392 CG2 :: 21.7056 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9158 HA :: 3.7261 HB :: 3.8081 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.3243 Ave N Shift Values>> N :: 115.42(4.75) 1.S14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6194 CA :: 62.4532 CB :: 60.8241 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6678 HA :: 3.5102 HB2 :: 1.8333(S) HB3 :: 2.4442(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.9906 Ave N Shift Values>> N :: 116.28(3.52) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.5808 CA :: 66.4446 CB :: 68.4473 CG2 :: 21.2701 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1256 HA :: 3.6024 HB :: 4.0886 HG21 :: 1.1976 HG22 :: 1.1976 HG23 :: 1.1976 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.8546 Ave N Shift Values>> N :: 115.42(4.75) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.04 C Shift Assignments>> C :: 178.1629 CA :: 58.0209 CB :: 41.6107 CG :: 27.0202 CD1 :: 25.7885 CD2 :: 23.2253 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.9771 HA :: 4.1409 HB2 :: 1.543 HB3 :: 1.7877 HG :: 1.3323 HD11 :: 0.7673 HD12 :: 0.7673 HD13 :: 0.7673 HD21 :: 0.8786 HD22 :: 0.8786 HD23 :: 0.8786 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.702 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.0266 CA :: 66.1997 CB :: 37.6349 CG1 :: 28.9273 CG2 :: 17.6087 CD1 :: 15.0913 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9822 HA :: 3.1393 HB :: 1.651 HG12 :: 0.214 HG13 :: 1.4462 HG21 :: 0.7984 HG22 :: 0.7984 HG23 :: 0.7984 HD11 :: 0.4709 HD12 :: 0.4709 HD13 :: 0.4709 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7973 Ave N Shift Values>> N :: 121.46(4.28) 1.C18 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.7072 CA :: 64.6345 CB :: 56.3449(S) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5304 HA :: 3.9404 HB2 :: 2.9208 HB3 :: 2.9916 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.8676 Ave N Shift Values>> N :: 120.17(4.64) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.913 CA :: 61.8345 CB :: 62.6212 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0818 HA :: 4.2655 HB2 :: 4.0611 HB3 :: 4.0611 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.4182 Ave N Shift Values>> N :: 116.28(3.52) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 HN Overlap>> 1.K82 1.K82 C Shift Assignments>> C :: 179.3492 CA :: 65.2685 CB :: 39.2596 CG1 :: 28.6892 CG2 :: 17.8735 CD1 :: 14.7346 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3038 HA :: 3.8029 HB :: 1.8419 HG12 :: 1.1626 HG13 :: 1.9278 HG21 :: 1.1235 HG22 :: 1.1235 HG23 :: 1.1235 HD11 :: 0.7459 HD12 :: 0.7459 HD13 :: 0.7459 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.1492 Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.28 R 0.11 A 0.01 C Shift Assignments>> C :: 178.9234 CA :: 57.6083 CB :: 41.705 CG :: 27.229 CD1 :: 21.9495 CD2 :: 26.2118 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3547 HA :: 4.2851 HB2 :: 1.2382 HB3 :: 2.0233 HG :: 2.0125 HD11 :: 0.5985 HD12 :: 0.5985 HD13 :: 0.5985 HD21 :: 0.7408 HD22 :: 0.7408 HD23 :: 0.7408 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.5352 Ave N Shift Values>> N :: 121.86(3.9) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 179.7849 CA :: 66.2581 CB :: 68.634 CG2 :: 21.4105 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5094 HA :: 4.8484 HB :: 4.3788 HG21 :: 1.4231 HG22 :: 1.4231 HG23 :: 1.4231 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.9198 Ave N Shift Values>> N :: 115.42(4.75) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.9364 CA :: 66.4547 CB :: 68.5934 CG2 :: 21.6643 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0538 HA :: 4.0214 HB :: 4.3584 HG21 :: 1.3167 HG22 :: 1.3167 HG23 :: 1.3167 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.8343 Ave N Shift Values>> N :: 115.42(4.75) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.04 C 0.02 L 0.02 C Shift Assignments>> C :: 176.7027 CA :: 52.2348 CB :: 20.0834 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1894 HA :: 4.4284 HB1 :: 1.697 HB2 :: 1.697 HB3 :: 1.697 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7998 Ave N Shift Values>> N :: 123.23(3.54) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.5159 CA :: 45.0351 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7319 HA2 :: 3.6824 HA3 :: 4.1536 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.2393 Ave N Shift Values>> N :: 109.67(3.87) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.13 D 0.03 L 0.02 E 0.02 N 0.01 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 175.0852 CA :: 58.1447 CB :: 38.7921 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8469 HA :: 4.6153 HB2 :: 2.3533 HB3 :: 2.8906 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.0656 Ave N Shift Values>> N :: 120.52(4.2) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.22 K 0.19 M 0.14 E 0.1 C Shift Assignments>> C :: 174.7126 CA :: 54.9151 CB :: 30.0014 CG :: 34.1401 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4757 HA :: 4.706 HB2 :: 1.9689 HB3 :: 2.0566 HG2 :: 2.1924 HG3 :: 2.4627 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.5807 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 175.4099 CA :: 60.3334 CB :: 33.4824 CG1 :: 22.7349 CG2 :: 23.6318 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7977 HA :: 5.257 HB :: 1.9953 HG11 :: 0.9049 HG12 :: 0.9049 HG13 :: 0.9049 HG21 :: 0.8952 HG22 :: 0.8952 HG23 :: 0.8952 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.3065 Ave N Shift Values>> N :: 121.14(4.54) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 HN Overlap>> 1.W30 1.W30 C Shift Assignments>> C :: 173.6473 CA :: 60.2428 CB :: 40.2443 CG1 :: 28.472 CG2 :: 18.4502 CD1 :: 14.1278 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.781 HA :: 4.4821 HB :: 1.7966 HG12 :: 1.2715 HG13 :: 1.4251 HG21 :: 0.8862 HG22 :: 0.8862 HG23 :: 0.8862 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.3292 Ave N Shift Values>> N :: 121.46(4.28) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.13 C 0.12 W 0.12 K 0.1 E 0.09 M 0.07 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 174.4192 CA :: 54.1758 CB :: 29.7385 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.7997 HA :: 5.7544 HB2 :: 2.7552 HB3 :: 3.3146 HE1 :: 10.706 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.4363 NE1 :: 132.3979 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.3 C 0.12 A 0.04 R 0.01 C Shift Assignments>> C :: 174.7934 CA :: 53.056 CB :: 45.0467 CG :: 27.0882 CD1 :: 25.9973 CD2 :: 23.2646 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.5225 HA :: 4.4671 HB2 :: 1.5293 HB3 :: 1.6761 HG :: 1.5266 HD11 :: 0.7671 HD12 :: 0.7671 HD13 :: 0.7671 HD21 :: 0.7732 HD22 :: 0.7732 HD23 :: 0.7732 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.7631 Ave N Shift Values>> N :: 121.86(3.9) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.9101 CA :: 60.8884 CB :: 31.8842 CG1 :: 20.9211 CG2 :: 19.2364 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.71 HA :: 4.3572 HB :: 2.1397 HG11 :: 0.7411 HG12 :: 0.7411 HG13 :: 0.7411 HG21 :: 0.6878 HG22 :: 0.6878 HG23 :: 0.6878 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.6132 Ave N Shift Values>> N :: 121.14(4.54) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.19 R 0.19 G 0.13 C 0.04 K 0.03 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.7091 CA :: 52.503 CB :: 43.2985 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2487 HA :: 4.4729 HB2 :: 2.5344 HB3 :: 2.5344 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.3281 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.2505 CA :: 45.7279 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1916 HA2 :: 3.2854 HA3 :: 4.0483 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1919 Ave N Shift Values>> N :: 109.67(3.87) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 M 0.07 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 177.7878 CA :: 56.5952 CB :: 30.1955 CG :: 36.7348 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.5936 HA :: 4.2684 HB2 :: 1.9514 HB3 :: 2.1025 HG2 :: 2.2373 HG3 :: 2.3363 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0524 Ave N Shift Values>> N :: 120.67(3.48) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.2614 CA :: 67.2013 CB :: 31.6664 CG1 :: 22.7713 CG2 :: 20.5107 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5642 HA :: 3.4568 HB :: 2.0476 HG11 :: 0.9568 HG12 :: 0.9568 HG13 :: 0.9568 HG21 :: 0.8936 HG22 :: 0.8936 HG23 :: 0.8936 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.9166 Ave N Shift Values>> N :: 121.14(4.54) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.26 I 0.25 K 0.06 Q 0.03 C Shift Assignments>> C :: 179.9421 CA :: 59.5731 CB :: 28.3751 CG :: 36.2074 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8379 HA :: 3.9754 HB2 :: 2.0198 HB3 :: 2.1139 HG2 :: 2.3049 HG3 :: 2.3643 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.0126 Ave N Shift Values>> N :: 120.67(3.48) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 G 0.06 K 0.03 C Shift Assignments>> C :: 178.1991 CA :: 58.5852 CB :: 30.1205 CG :: 27.2676 CD :: 43.3607 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6364 HA :: 4.0086 HB2 :: 1.8012 HB3 :: 1.8765 HG2 :: 1.5377 HG3 :: 1.6714 HD2 :: 3.1427 HD3 :: 3.1427 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.3998 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.36 R 0.16 G 0.01 C Shift Assignments>> C :: 178.8048 CA :: 58.7081 CB :: 42.2764 CG :: 27.6381 CD1 :: 26.1568 CD2 :: 24.9798 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5911 HA :: 3.8236 HB2 :: 1.2823 HB3 :: 1.8749 HG :: 1.7548 HD11 :: 0.7461 HD12 :: 0.7461 HD13 :: 0.7461 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7332 Ave N Shift Values>> N :: 121.86(3.9) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.42 R 0.02 A 0.01 C Shift Assignments>> C :: 181.0531 CA :: 56.8714 CB :: 40.9996 CG :: 26.7055 CD1 :: 22.948 CD2 :: 26.7483 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1093 HA :: 3.9369 HB2 :: 1.4288 HB3 :: 1.78 HG :: 1.7329 HD11 :: 0.7773 HD12 :: 0.7773 HD13 :: 0.7773 HD21 :: 0.8117 HD22 :: 0.8117 HD23 :: 0.8117 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.8642 Ave N Shift Values>> N :: 121.86(3.9) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.01 I 0.01 C Shift Assignments>> C :: 178.8816 CA :: 54.1783 CB :: 18.0042 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7954 HA :: 4.1975 HB1 :: 1.5302 HB2 :: 1.5302 HB3 :: 1.5302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9058 Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.33 R 0.14 A 0.09 G 0.01 C Shift Assignments>> C :: 175.6962 CA :: 54.8436 CB :: 42.1414 CG :: 26.8533 CD1 :: 22.5939 CD2 :: 26.8553 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.2273 HA :: 4.2634 HB2 :: 1.4048 HB3 :: 1.9382 HG :: 1.8667 HD11 :: 0.8643 HD12 :: 0.8643 HD13 :: 0.8643 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.7776 Ave N Shift Values>> N :: 121.86(3.9) 1.T43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 181.377(S) CA :: 60.6594 CB :: 69.3844 CG2 :: 21.4992 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7946 HA :: 3.8695 HB :: 4.4138 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.2127 Ave N Shift Values>> N :: 115.42(4.75) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.165 CA :: 62.3534 CB :: 32.7655 CG :: 26.1775 CD :: 50.4488 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6171 HB2 :: 1.7783 HB3 :: 2.1343 HG2 :: 1.6138 HG3 :: 1.722 HD2 :: 3.4607 HD3 :: 3.6101 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 177.0449 CA :: 61.884 CB :: 38.5353 CG1 :: 26.2072 CG2 :: 18.5754 CD1 :: 14.8632 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.0208 HA :: 4.6678 HB :: 2.1362 HG12 :: 1.3062 HG13 :: 1.3062 HG21 :: 1.1856 HG22 :: 1.1856 HG23 :: 1.1856 HD11 :: 1.0177 HD12 :: 1.0177 HD13 :: 1.0177 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 111.1909 Ave N Shift Values>> N :: 121.46(4.28) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.28 C 0.12 K 0.01 C Shift Assignments>> C :: 174.8882 CA :: 50.5075 CB :: 22.4283 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3221 HA :: 5.4258 HB1 :: 1.0086 HB2 :: 1.0086 HB3 :: 1.0086 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8044 Ave N Shift Values>> N :: 123.23(3.54) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 172.7459 CA :: 59.7518 CB :: 35.2057 CG1 :: 22.3754 CG2 :: 21.5994 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6144 HA :: 4.9825 HB :: 1.734 HG11 :: 0.8484 HG12 :: 0.8484 HG13 :: 0.8484 HG21 :: 0.8111 HG22 :: 0.8111 HG23 :: 0.8111 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.184 Ave N Shift Values>> N :: 121.14(4.54) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 C 0.21 R 0.2 K 0.17 G 0.09 C Shift Assignments>> C :: 174.2057 CA :: 53.1147 CB :: 43.1725 CG :: 28.527 CD1 :: 25.6529 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3805 HA :: 5.1061 HB2 :: 1.418 HB3 :: 1.8293 HG :: 1.6098 HD11 :: 0.6941 HD12 :: 0.6941 HD13 :: 0.6941 HD21 :: 0.6941 HD22 :: 0.6941 HD23 :: 0.6941 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.063 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.21 R 0.03 A 0.01 C Shift Assignments>> C :: 175.0402 CA :: 53.5854 CB :: 41.75 CG :: 26.5102 CD1 :: 24.2334 CD2 :: 26.1532 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8827 HA :: 4.9155 HB2 :: 1.5897 HB3 :: 2.0098 HG :: 1.5096 HD11 :: 0.6952 HD12 :: 0.6952 HD13 :: 0.6952 HD21 :: 0.5485 HD22 :: 0.5485 HD23 :: 0.5485 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3015 Ave N Shift Values>> N :: 121.86(3.9) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.08 C 0.05 C Shift Assignments>> C :: 177.7226 CA :: 50.6203 CB :: 21.3822 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5035 HA :: 5.4236 HB1 :: 1.5118 HB2 :: 1.5118 HB3 :: 1.5118 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6569 Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 E 0.4 M 0.06 I 0.03 K 0.03 C Shift Assignments>> C :: 174.7776 CA :: 55.1503 CB :: 29.9916 CG :: 37.4392 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1017 HA :: 3.4053 HB2 :: 1.759 HB3 :: 1.759 HG2 :: 1.539(S) HG3 :: 2.2141 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.4638 Ave N Shift Values>> N :: 120.67(3.48) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 176.4773 CA :: 61.4156 CB :: 34.7177 CG :: 24.7052 CD :: 50.8115 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3186 HB2 :: 2.0485 HB3 :: 2.3464 HG2 :: 1.9222 HG3 :: 2.0102 HD2 :: 3.5079 HD3 :: 3.7622 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.22 N 0.16 Y 0.13 M 0.08 F 0.08 K 0.02 D 0.02 I 0.02 C Shift Assignments>> C :: 176.6189 CA :: 55.3431 CB :: 36.9457 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7084 HA :: 4.6954 HB2 :: 2.938 HB3 :: 3.1931 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.8785 Ave N Shift Values>> N :: 120.45(4.18) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6811 CA :: 58.5446 CB :: 63.4208 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.605 HA :: 4.3832 HB2 :: 3.7164 HB3 :: 4.0386 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.9797 Ave N Shift Values>> N :: 116.28(3.52) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.17 N 0.16 E 0.16 F 0.12 M 0.05 D 0.03 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 175.1821 CA :: 55.6375 CB :: 37.4334 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4072 HA :: 4.7662 HB2 :: 2.8994 HB3 :: 3.2459 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.8274 Ave N Shift Values>> N :: 120.52(4.2) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.2889 CA :: 44.5245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5508 HA2 :: 3.7401 HA3 :: 4.2404 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0425 Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.14 R 0.12 F 0.06 C 0.04 Y 0.03 N 0.03 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> C :: 177.4241 CA :: 54.0631 CB :: 42.3125 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1829 HA :: 4.5702 HB2 :: 2.573 HB3 :: 2.7396 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5802 Ave N Shift Values>> N :: 120.65(3.86) 1.V58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.2327 CA :: 66.1127 CB :: 31.682 CG1 :: 22.5412 CG2 :: 19.8283 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3531 HA :: 3.2893 HB :: 1.1725 HG11 :: 0.1787 HG12 :: 0.1787 HG13 :: 0.1787 HG21 :: -0.1538(S) HG22 :: -0.1538(S) HG23 :: -0.1538(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.6924 Ave N Shift Values>> N :: 121.14(4.54) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.14 C 0.13 E 0.13 Q 0.13 H 0.11 R 0.09 I 0.04 M 0.02 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 177.8836 CA :: 57.9498 CB :: 29.1131 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1646 HA :: 3.809 HB2 :: 2.2021 HB3 :: 2.2926 HG2 :: 2.4017 HG3 :: 2.4017 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.6245 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.15 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.5276 CA :: 59.2587 CB :: 29.5979 CG :: 36.3292 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0434 HA :: 4.0884 HB2 :: 2.0638 HB3 :: 2.0638 HG2 :: 2.268 HG3 :: 2.3865 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1764 Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.05 C Shift Assignments>> C :: 178.6592 CA :: 58.2766 CB :: 41.6326 CG :: 27.4403 CD1 :: 25.7347 CD2 :: 23.7488 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.4533 HA :: 4.1079 HB2 :: 1.6578 HB3 :: 1.7207 HG :: 1.4831 HD11 :: 0.7979 HD12 :: 0.7979 HD13 :: 0.7979 HD21 :: 0.8557 HD22 :: 0.8557 HD23 :: 0.8557 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8485 Ave N Shift Values>> N :: 121.86(3.9) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.6188 CA :: 67.7701 CB :: 31.4897 CG1 :: 21.7296 CG2 :: 23.479 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4009 HA :: 3.2528 HB :: 2.0537 HG11 :: 0.9198 HG12 :: 0.9198 HG13 :: 0.9198 HG21 :: 0.6811 HG22 :: 0.6811 HG23 :: 0.6811 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3025 Ave N Shift Values>> N :: 121.14(4.54) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 180.0294 CA :: 57.5698 CB :: 39.9721 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8492 HA :: 4.2658 HB2 :: 2.5748 HB3 :: 2.9462 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.3061 Ave N Shift Values>> N :: 120.65(3.86) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.22 K 0.22 E 0.12 I 0.04 R 0.02 M 0.01 C Shift Assignments>> C :: 180.0301 CA :: 59.2219 CB :: 28.989 CG :: 34.3593 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1444 HA :: 3.9629 HB2 :: 2.0515 HB3 :: 2.3632 HG2 :: 2.4619 HG3 :: 2.7385 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.984 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 R 0.04 G 0.01 C Shift Assignments>> C :: 179.7466 CA :: 58.53 CB :: 42.0402 CG :: 26.4586 CD1 :: 23.5489 CD2 :: 25.7299 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3996 HA :: 3.9439 HB2 :: 1.0718 HB3 :: 2.1876 HG :: 1.9308 HD11 :: 0.7663 HD12 :: 0.7663 HD13 :: 0.7663 HD21 :: 0.7033 HD22 :: 0.7033 HD23 :: 0.7033 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 121.86(3.9) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 K 0.13 L 0.02 G 0.02 C Shift Assignments>> C :: 178.062 CA :: 56.2806 CB :: 29.2476 CG :: 28.1096 CD :: 42.625 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8643 HA :: 4.6139 HB2 :: 1.7493 HB3 :: 2.1529 HG2 :: 1.529 HG3 :: 1.8247 HD2 :: 3.2869 HD3 :: 3.4049 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.7975 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.25 E 0.09 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.2302 CA :: 57.7484 CB :: 28.7476 CG :: 34.0953 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7064 HA :: 4.1279 HB2 :: 2.1674 HB3 :: 2.1674 HG2 :: 2.4685 HG3 :: 2.5929 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.3176 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 K 0.23 G 0.02 C Shift Assignments>> C :: 176.7854 CA :: 56.4689 CB :: 32.8303 CG :: 27.3198 CD :: 42.6831 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.2063 HA :: 4.4551 HB2 :: 1.8338 HB3 :: 2.0775 HG2 :: 1.6949 HG3 :: 1.6949 HD2 :: 3.1446 HD3 :: 3.1446 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.7036 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.17 M 0.16 R 0.1 Q 0.1 H 0.09 W 0.07 E 0.06 V 0.03 C Shift Assignments>> C :: 174.5662 CA :: 57.052 CB :: 32.5724 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.364 HA :: 5.0588 HB2 :: 2.4554 HB3 :: 2.7742 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.1261 Ave N Shift Values>> N :: 120.17(4.64) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.18 S 0.01 C Shift Assignments>> C :: 175.0033 CA :: 60.4831 CB :: 68.0888 CG2 :: 21.7018 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.7048 HA :: 4.868 HB :: 4.7919 HG21 :: 1.3548 HG22 :: 1.3548 HG23 :: 1.3548 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.7627 Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.3871 CA :: 64.977 CB :: 31.2726 CG :: 28.5475 CD :: 50.9046 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4993 HB2 :: 1.8525 HB3 :: 2.7164 HG2 :: 1.8755 HG3 :: 2.1987 HD2 :: 3.9109 HD3 :: 3.9109 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 I 0.2 K 0.03 M 0.01 C Shift Assignments>> C :: 177.2828 CA :: 58.7675 CB :: 29.4034 CG :: 37.1773 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8673 HA :: 4.0304 HB2 :: 1.9693 HB3 :: 1.9693 HG2 :: 2.2411 HG3 :: 2.3464 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.2593 Ave N Shift Values>> N :: 120.67(3.48) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 M 0.2 E 0.14 K 0.11 C Shift Assignments>> C :: 175.7396 CA :: 56.7079 CB :: 30.6276 CG :: 34.2987 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5269 HA :: 4.2315 HB2 :: 2.0594 HB3 :: 2.1959 HG2 :: 2.3636 HG3 :: 2.3636 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.1608 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.26 L 0.19 A 0.01 C Shift Assignments>> C :: 174.7888 CA :: 54.6251 CB :: 45.8314 CG :: 26.9411 CD1 :: 24.1175 CD2 :: 26.7527 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9326 HA :: 4.4549 HB2 :: 1.3112 HB3 :: 1.4089 HG :: 1.1904 HD11 :: 0.6643 HD12 :: 0.6643 HD13 :: 0.6643 HD21 :: 0.6592 HD22 :: 0.6592 HD23 :: 0.6592 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6262 Ave N Shift Values>> N :: 121.86(3.9) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.3 R 0.2 G 0.03 C Shift Assignments>> C :: 175.7503 CA :: 53.0571 CB :: 33.7507 CG :: 24.6551 CD :: 27.843 CE :: 42.5028 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8147 HA :: 4.963 HB2 :: 1.2662 HB3 :: 1.5606 HG2 :: 1.5413 HG3 :: 1.6094 HD2 :: 1.4854 HD3 :: 1.7906 HE2 :: 2.9748 HE3 :: 3.0957 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.8601 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.9139 CA :: 60.743 CB :: 40.4934 CG1 :: 27.8623 CG2 :: 17.3938 CD1 :: 15.4899 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 10.1905 HA :: 4.6694 HB :: 1.6424 HG12 :: 0.5919 HG13 :: 1.5038 HG21 :: 0.6781 HG22 :: 0.6781 HG23 :: 0.6781 HD11 :: 0.7729 HD12 :: 0.7729 HD13 :: 0.7729 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.0507 Ave N Shift Values>> N :: 121.46(4.28) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.2 N 0.17 K 0.07 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.1174 CA :: 52.734 CB :: 41.2557 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.0892 HA :: 5.7084 HB2 :: 2.6914 HB3 :: 2.9878 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.3642 Ave N Shift Values>> N :: 120.45(4.18) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 A 0.01 C Shift Assignments>> C :: 174.8577 CA :: 58.3626 CB :: 38.6857 CG1 :: 28.6623 CG2 :: 16.9905 CD1 :: 12.677 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.205 HA :: 5.0697 HB :: 1.7692 HG12 :: 1.3278 HG13 :: 1.3278 HG21 :: 1.2384 HG22 :: 1.2384 HG23 :: 1.2384 HD11 :: 0.6499 HD12 :: 0.6499 HD13 :: 0.6499 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.3542 Ave N Shift Values>> N :: 121.46(4.28) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.27 C 0.25 R 0.08 C Shift Assignments>> C :: 174.6979 CA :: 52.63 CB :: 41.5085 CG :: 28.3482 CD1 :: 26.331 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8392 HA :: 5.6587 HB2 :: 1.5259 HB3 :: 1.6356 HG :: 1.621 HD11 :: 0.8635 HD12 :: 0.8635 HD13 :: 0.8635 HD21 :: 0.8635 HD22 :: 0.8635 HD23 :: 0.8635 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.1514 Ave N Shift Values>> N :: 121.86(3.9) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.6493 CA :: 44.7859 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.653 HA2 :: 3.7221 HA3 :: 4.4358 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1299 Ave N Shift Values>> N :: 109.67(3.87) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0689 CA :: 58.8297 CB :: 64.2694 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5484 HA :: 4.3778 HB2 :: 3.9209 HB3 :: 3.9209 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.6072 Ave N Shift Values>> N :: 116.28(3.52) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 HN Overlap>> 1.I20 1.I20 C Shift Assignments>> C :: 176.4886 CA :: 57.21 CB :: 32.0672 CG :: 24.7172 CD :: 28.9762 CE :: 41.8484 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2757 HA :: 3.5167 HB2 :: 1.5807 HB3 :: 1.6629 HG2 :: 1.161 HG3 :: 1.161 HD2 :: 1.5423 HD3 :: 1.5423 HE2 :: 2.9477 HE3 :: 2.9477 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.0573 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.0277 CA :: 44.1754 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.3664 HA2 :: 3.3759 HA3 :: 4.1317 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8681 Ave N Shift Values>> N :: 109.67(3.87) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.14 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 174.7388 CA :: 52.075 CB :: 38.608 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9958 HA :: 4.8598 HB2 :: 2.4538 HB3 :: 2.6808 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.5809 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.17 I 0.1 D 0.04 L 0.03 N 0.02 E 0.02 C Shift Assignments>> C :: 176.4955 CA :: 57.6448 CB :: 38.8379 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.247 HA :: 4.5926 HB2 :: 2.6898 HB3 :: 2.8845 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5692 Ave N Shift Values>> N :: 120.52(4.2) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.24 M 0.06 E 0.06 R 0.03 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 177.4016 CA :: 55.9554 CB :: 29.356 CG :: 33.7145 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.2654 HA :: 4.4659 HB2 :: 2.0828 HB3 :: 2.0828 HG2 :: 2.4029 HG3 :: 2.4029 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.9065 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.6418 CA :: 45.5315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8999 HA2 :: 3.7689 HA3 :: 4.0979 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6645 Ave N Shift Values>> N :: 109.67(3.87) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.6682 CA :: 62.1383 CB :: 33.2187 CG1 :: 22.6045 CG2 :: 22.0145 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.0335 HA :: 3.7679 HB :: 1.9193 HG11 :: 0.7398 HG12 :: 0.7398 HG13 :: 0.7398 HG21 :: 0.4357 HG22 :: 0.4357 HG23 :: 0.4357 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2211 Ave N Shift Values>> N :: 121.14(4.54) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.21 G 0.14 F 0.09 C 0.08 Y 0.05 D 0.02 K 0.02 C Shift Assignments>> C :: 176.2954 CA :: 57.8276 CB :: 43.8994 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9618 HA :: 4.6464 HB2 :: 2.3489 HB3 :: 2.7444 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.6635 Ave N Shift Values>> N :: 120.65(3.86) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.24 R 0.13 G 0.07 C Shift Assignments>> C :: 172.8343 CA :: 55.2112 CB :: 35.2008 CG :: 27.9393 CD :: 43.0319 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.2258 HA :: 4.5439 HB2 :: 1.3572 HB3 :: 1.4301 HG2 :: 1.3693 HG3 :: 1.4526 HD2 :: 2.8325 HD3 :: 3.0327 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.9753 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.13 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 C Shift Assignments>> C :: 175.6922 CA :: 56.9056 CB :: 39.9278 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.7275 HA :: 5.3747 HB2 :: 2.8616 HB3 :: 2.8616 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.1987 Ave N Shift Values>> N :: 120.52(4.2) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.44 A 0.01 C Shift Assignments>> C :: 172.6402 CA :: 57.9783 CB :: 41.045 CG1 :: 27.4946 CG2 :: 16.6422 CD1 :: 13.9192 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.4741 HA :: 4.6539 HB :: 1.8647 HG12 :: 0.9734 HG13 :: 1.3815 HG21 :: 1.1088 HG22 :: 1.1088 HG23 :: 1.1088 HD11 :: 0.48 HD12 :: 0.48 HD13 :: 0.48 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.7689 Ave N Shift Values>> N :: 121.46(4.28) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.353 CA :: 63.1197 CB :: 32.6317 CG :: 27.1081 CD :: 51.1858 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5943 HB2 :: 1.8666 HB3 :: 2.3054 HG2 :: 2.0442 HG3 :: 2.0442 HD2 :: 3.8321 HD3 :: 3.8321 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.13 C 0.12 R 0.06 A 0.05 C Shift Assignments>> C :: 176.5968 CA :: 51.8365 CB :: 43.2148 CG :: 26.8984 CD1 :: 26.2004 CD2 :: 23.4734 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.472 HA :: 4.3415 HB2 :: 1.3614 HB3 :: 1.4911 HG :: 1.4886 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.8332 HD22 :: 0.8332 HD23 :: 0.8332 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3528 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 175.8829 CA :: 61.6655 CB :: 34.8923 CG :: 24.7098 CD :: 50.6801 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.424 HB2 :: 1.9787 HB3 :: 2.3695 HG2 :: 1.7591 HG3 :: 1.8826 HD2 :: 3.4411 HD3 :: 3.5754 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 175.8461 CA :: 59.967 CB :: 37.2935 CG1 :: 26.6386 CG2 :: 17.5165 CD1 :: 11.6421 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4278 HA :: 4.0206 HB :: 1.7001 HG12 :: 0.9972 HG13 :: 1.1524 HG21 :: 0.3862 HG22 :: 0.3862 HG23 :: 0.3862 HD11 :: 0.2232 HD12 :: 0.2232 HD13 :: 0.2232 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.2175 Ave N Shift Values>> N :: 121.46(4.28) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.16 H 0.15 R 0.14 K 0.1 W 0.08 Q 0.05 E 0.04 C Shift Assignments>> CA :: 53.2415 CB :: 31.7438 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.0189 HA :: 5.1196 HB2 :: 3.0732 HB3 :: 3.2595 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.9359 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 66.6738 CB :: 32.457 CG :: 27.6807 CD :: 50.848 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9658 HB2 :: 2.0349 HB3 :: 2.2825 HG2 :: 1.7715 HG3 :: 2.1754 HD2 :: 3.5603 HD3 :: 3.9264 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 I 0.23 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.8599 CA :: 59.5612 CB :: 29.4331 CG :: 36.8459 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2294 HA :: 4.1583 HB2 :: 2.0423 HB3 :: 2.0423 HG2 :: 2.3336 HG3 :: 2.3336 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.5878 Ave N Shift Values>> N :: 120.67(3.48) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1559 CA :: 59.5284 CB :: 63.7371 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8514 HA :: 4.6684 HB2 :: 3.9353 HB3 :: 4.1383 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.4157 Ave N Shift Values>> N :: 116.28(3.52) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 F 0.17 Y 0.17 C 0.15 C Shift Assignments>> C :: 176.1564 CA :: 62.0231 CB :: 39.6613 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.4589 HA :: 4.3039 HB2 :: 2.9048 HB3 :: 3.472 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.4468 Ave N Shift Values>> N :: 120.45(4.18) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.42 R 0.01 C Shift Assignments>> C :: 179.3735 CA :: 57.9196 CB :: 41.2432 CG :: 26.9844 CD1 :: 25.5041 CD2 :: 23.6009 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6075 HA :: 3.6313 HB2 :: 1.4762 HB3 :: 1.8402 HG :: 1.6145 HD11 :: 0.9685 HD12 :: 0.9685 HD13 :: 0.9685 HD21 :: 0.8798 HD22 :: 0.8798 HD23 :: 0.8798 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.1463 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.22 R 0.08 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.0932 CA :: 59.1447 CB :: 28.0557 CG :: 33.7624 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0537 HA :: 3.9978 HB2 :: 2.1825 HB3 :: 2.1825 HG2 :: 2.4006 HG3 :: 2.4844 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.2 K 0.2 E 0.15 I 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 178.789 CA :: 59.1963 CB :: 29.0543 CG :: 34.5708 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9968 HA :: 3.8847 HB2 :: 1.8987 HB3 :: 2.137 HG2 :: 2.451 HG3 :: 2.6418 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.7819 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.Y26 1.Y26 C Shift Assignments>> C :: 177.3823 CA :: 66.1194 CB :: 31.4284 CG1 :: 22.9564 CG2 :: 20.2475 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8391 HA :: 3.2422 HB :: 1.5849 HG11 :: 0.007 HG12 :: 0.007 HG13 :: 0.007 HG21 :: 0.3257 HG22 :: 0.3257 HG23 :: 0.3257 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0439 Ave N Shift Values>> N :: 121.14(4.54) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.0315 CA :: 66.9586 CB :: 68.5956 CG2 :: 21.4282 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.442 HA :: 3.7438 HB :: 4.241 HG21 :: 1.2515 HG22 :: 1.2515 HG23 :: 1.2515 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.5286 Ave N Shift Values>> N :: 115.42(4.75) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.37 Q 0.07 C Shift Assignments>> C :: 178.8547 CA :: 58.5569 CB :: 32.3488 CG :: 32.3817 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3456 HA :: 4.1948 HB2 :: 2.019 HB3 :: 2.1217 HG2 :: 2.5729 HG3 :: 2.7333 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.9781 Ave N Shift Values>> N :: 120.09(3.57) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.9217 CA :: 46.4607 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9296 HA2 :: 3.525 HA3 :: 3.9942 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4763 Ave N Shift Values>> N :: 109.67(3.87) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.08 A 0.01 G 0.01 C Shift Assignments>> C :: 178.0312 CA :: 56.2858 CB :: 42.261 CG :: 26.4399 CD1 :: 23.1298 CD2 :: 26.0657 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9944 HA :: 4.3571 HB2 :: 1.667 HB3 :: 1.9689 HG :: 1.9644 HD11 :: 0.7587 HD12 :: 0.7587 HD13 :: 0.7587 HD21 :: 0.6886 HD22 :: 0.6886 HD23 :: 0.6886 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.3341 Ave N Shift Values>> N :: 121.86(3.9) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.5692 CA :: 62.5976 CB :: 70.0943 CG2 :: 21.2841 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6291 HA :: 4.3756 HB :: 4.3481 HG21 :: 1.3042 HG22 :: 1.3042 HG23 :: 1.3042 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0079 Ave N Shift Values>> N :: 115.42(4.75) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5583 CA :: 58.4802 CB :: 63.486 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9909 HA :: 4.4876 HB2 :: 3.9274 HB3 :: 3.9696 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1674 Ave N Shift Values>> N :: 116.28(3.52) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 177.2343 CA :: 54.9886 CB :: 42.6475 CG :: 27.071 CD1 :: 25.1894 CD2 :: 23.6209 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2437 HA :: 4.4113 HB2 :: 1.6513 HB3 :: 1.6513 HG :: 1.6609 HD11 :: 0.9546 HD12 :: 0.9546 HD13 :: 0.9546 HD21 :: 0.8876 HD22 :: 0.8876 HD23 :: 0.8876 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.2756 Ave N Shift Values>> N :: 121.86(3.9) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 178.0219 CA :: 52.5571 CB :: 19.1995 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4253 HA :: 4.4024 HB1 :: 1.4329 HB2 :: 1.4329 HB3 :: 1.4329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0646 Ave N Shift Values>> N :: 123.23(3.54) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.6434 CA :: 61.6323 CB :: 69.7273 CG2 :: 21.4883 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1097 HA :: 4.3798 HB :: 4.2773 HG21 :: 1.2384 HG22 :: 1.2384 HG23 :: 1.2384 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.0282 Ave N Shift Values>> N :: 115.42(4.75) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0704 CA :: 58.1575 CB :: 63.8456 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2618 HA :: 4.4929 HB2 :: 3.8995 HB3 :: 3.8995 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8998 Ave N Shift Values>> N :: 116.28(3.52) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 176.7235 CA :: 52.4993 CB :: 19.2238 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3453 HA :: 4.3816 HB1 :: 1.4149 HB2 :: 1.4149 HB3 :: 1.4149 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.6644 Ave N Shift Values>> N :: 123.23(3.54) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 M 0.17 E 0.14 K 0.12 C Shift Assignments>> C :: 180.6196 CA :: 57.2669 CB :: 30.5281 CG :: 34.2836 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9256 HA :: 4.1606 HB2 :: 1.928 HB3 :: 2.128 HG2 :: 2.3116 HG3 :: 2.3116 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.6309 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 486 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 793 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S14 HB2 = 1.8333(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.6826e-16 1.S14 HB3 = 2.4442(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.9226e-07 1.C18 Typing: Mistyped 1.C18 CB = 56.3449(S), Expected = 32.49, Std = 6.0100, ChiSquare = 7.2114e-05 1.T43 C = 181.377(S), Expected = 174.54, Std = 1.7600, ChiSquare = 1.0247e-04 1.E51 HG2 = 1.539(S), Expected = 2.27, Std = 0.2100, ChiSquare = 4.9963e-04 1.V58 HG21 = -0.1538(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5819e-04 1.V58 HG22 = -0.1538(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5819e-04 1.V58 HG23 = -0.1538(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5819e-04