Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.50282 CA :: 45.16816 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.95675 HA3 :: 4.09207 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.19854 CA :: 60.94555 CB :: 33.61428 CG1 :: 21.06286 CG2 :: 21.06286 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 :: 7.81414 HA :: 4.87463 HB :: 1.62658 HG11 :: 0.46897 HG12 :: 0.46897 HG13 :: 0.46897 HG21 :: 0.46897 HG22 :: 0.46897 HG23 :: 0.46897 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 :: 120.84893 Ave N Shift Values>> N :: 121.14(4.54) 1.Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.2 L 0.16 Y 0.15 D 0.1 C 0.08 R 0.03 I 0.02 C Shift Assignments>> C :: 174.40954 CA :: 57.33174 CB :: 41.38498 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 :: 8.87306 HA :: 4.61487 HB2 :: 3.02688 HB3 :: 2.73887 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 :: 127.75462 Ave N Shift Values>> N :: 120.52(4.2) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.2148 CA :: 62.16282 CB :: 70.92925 CG2 :: 22.39349 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 :: 8.45303 HA :: 5.42922 HB :: 3.70468 HG21 :: 1.05162 HG22 :: 1.05162 HG23 :: 1.05162 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 :: 122.92719 Ave N Shift Values>> N :: 115.42(4.75) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.19 F 0.11 D 0.09 Y 0.08 C 0.06 HN Overlap>> 1.I43 1.I43 1.Y81 1.Y81 C Shift Assignments>> C :: 173.97962 CA :: 56.90212 CB :: 42.459 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 :: 9.00186 HA :: 4.8062 HB2 :: 3.2507 HB3 :: 2.79873 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 :: 125.35259 Ave N Shift Values>> N :: 120.45(4.18) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 E 0.19 C Shift Assignments>> C :: 175.09214 CA :: 55.10405 CB :: 33.43254 CG :: 36.66003 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 :: 8.98165 HA :: 5.25546 HB2 :: 1.98559 HB3 :: 1.98559 HG2 :: 2.10557 HG3 :: 2.10557 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 :: 122.05319 Ave N Shift Values>> N :: 120.67(3.48) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.46 N 0.23 G 0.16 C 0.14 C Shift Assignments>> C :: 172.59959 CA :: 52.84749 CB :: 42.8781 CG :: 176.36314 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 :: 8.8512 HA :: 5.099 HB2 :: 2.75071 HB3 :: 2.75071 HD21 :: 7.07002 HD22 :: 7.94709 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 :: 120.38012 ND2 :: 114.00768 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 E 0.11 C Shift Assignments>> C :: 174.66388 CA :: 54.95925 CB :: 33.92132 CG :: 36.85836 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 :: 8.50103 HA :: 5.54612 HB2 :: 1.88817 HB3 :: 1.88817 HG2 :: 2.07091 HG3 :: 2.07091 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 :: 121.52735 Ave N Shift Values>> N :: 120.67(3.48) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 F 0.15 K 0.13 Y 0.11 C 0.07 N 0.05 R 0.01 I 0.01 C Shift Assignments>> C :: 173.65403 CA :: 55.67762 CB :: 41.05004 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 :: 8.49926 HA :: 4.96017 HB2 :: 2.80123 HB3 :: 3.01188 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 :: 121.19202 Ave N Shift Values>> N :: 120.45(4.18) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 173.40384 CA :: 61.3819 CB :: 71.20865 CG2 :: 22.00294 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 :: 8.41198 HA :: 5.05451 HB :: 4.12327 HG21 :: 1.21083 HG22 :: 1.21083 HG23 :: 1.21083 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 :: 115.16127 Ave N Shift Values>> N :: 115.42(4.75) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.32181 CA :: 56.04015 CB :: 66.25722 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.94805 HA :: 5.01836 HB2 :: 3.47464 HB3 :: 3.47464 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 :: 115.58675 Ave N Shift Values>> N :: 116.28(3.52) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.45 I 0.03 K 0.02 Q 0.01 HN Overlap>> 1.K103 1.K103 C Shift Assignments>> C :: 175.58877 CA :: 57.31128 CB :: 30.88228 CG :: 36.77371 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 :: 9.11847 HA :: 4.40348 HB2 :: 1.92653 HB3 :: 1.92653 HG2 :: 2.28774 HG3 :: 2.28774 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 :: 126.65434 Ave N Shift Values>> N :: 120.67(3.48) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.25 Y 0.17 F 0.11 N 0.07 I 0.04 K 0.02 D 0.01 C Shift Assignments>> CA :: 56.32704 CB :: 36.95154 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 :: 8.59903 HA :: 4.55565 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 :: 122.48415 Ave N Shift Values>> N :: 121.46(4.28) 1.P14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 177.50901 CA :: 65.933 CB :: 31.53433 CG :: 27.13608 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>> HD2 :: 3.85771 HD3 :: 3.85771 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.S16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.25 T 0.2 V 0.18 C 0.09 P 0.05 F 0.05 S 0.05 Y 0.05 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 176.72145 CA :: 61.40391 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.09776 HA :: 5.82764(S) HB2 :: 4.03239 HB3 :: 4.03239 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 :: 110.91244 Ave N Shift Values>> N :: 116.28(3.52) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.25 R 0.22 K 0.01 C Shift Assignments>> C :: 177.57585 CA :: 58.98887 CB :: 31.3544 CG :: 28.396 CD :: 44.37731 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 :: 6.71326 HA :: 4.38641 HB2 :: 1.77568 HB3 :: 1.77568 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 :: 119.61224 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.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 G 0.04 R 0.03 C Shift Assignments>> C :: 178.36141 CA :: 57.66871 CB :: 43.00535 CG :: 26.79976 CD1 :: 24.08419 CD2 :: 24.6814 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 :: 7.52578 HA :: 3.81817 HB2 :: 1.56555 HB3 :: 1.56555 HG :: 1.38139 HD11 :: 0.78276 HD12 :: 0.78276 HD13 :: 0.78276 HD21 :: 0.83553 HD22 :: 0.83553 HD23 :: 0.83553 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 :: 116.63109 Ave N Shift Values>> N :: 121.86(3.9) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 F 0.15 C 0.14 Y 0.14 C Shift Assignments>> C :: 177.92053 CA :: 62.6366 CB :: 40.06257 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 :: 9.17612 HA :: 3.82074 HB2 :: 3.22439 HB3 :: 3.22439 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 :: 119.13139 Ave N Shift Values>> N :: 120.45(4.18) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.28 K 0.17 G 0.01 C Shift Assignments>> C :: 176.53862 CA :: 60.33705 CB :: 33.46098 CG :: 26.69077 CD :: 30.00026 CE :: 42.31466 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 :: 7.6066 HA :: 3.79944 HB2 :: 2.00827 HB3 :: 2.00827 HG2 :: 1.59417 HG3 :: 1.59417 HD2 :: 1.81915 HD3 :: 1.81915 HE2 :: 3.06691 HE3 :: 3.06691 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 :: 117.23482 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.22 C 0.11 V 0.02 T 0.01 C Shift Assignments>> C :: 175.34545 CA :: 54.52741 CB :: 20.92934 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.15201 HA :: 3.23211 HB1 :: 0.80084 HB2 :: 0.80084 HB3 :: 0.80084 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.38887 Ave N Shift Values>> N :: 123.23(3.54) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 D 0.07 I 0.07 C Shift Assignments>> C :: 173.90922 CA :: 57.97777 CB :: 40.64665 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 :: 8.29657 HA :: 4.25438 HB2 :: 3.00919 HB3 :: 2.88644 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 :: 110.11076 Ave N Shift Values>> N :: 120.45(4.18) 1.V23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.6338 CA :: 63.86324 CB :: 30.70234 CG1 :: 20.42042 CG2 :: 20.99325 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 :: 7.0482 HA :: 3.23666 HB :: 0.95705 HG11 :: -0.28563(S) HG12 :: -0.28563(S) HG13 :: -0.28563(S) HG21 :: 0.17903 HG22 :: 0.17903 HG23 :: 0.17903 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 :: 114.22724 Ave N Shift Values>> N :: 121.14(4.54) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.39 A 0.01 C Shift Assignments>> C :: 178.61927 CA :: 57.55371 CB :: 40.88574 CG :: 26.17013 CD1 :: 22.3802 CD2 :: 26.07984 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 :: 7.20031 HA :: 3.90414 HB2 :: 1.60453 HB3 :: 1.60453 HG :: 1.60341 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 :: 115.44965 Ave N Shift Values>> N :: 121.86(3.9) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 G 0.15 D 0.15 C 0.04 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 53.18394 CB :: 43.60043 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 :: 7.60669 HA :: 4.59334 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 :: 116.88364 Ave N Shift Values>> N :: 120.65(3.86) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.53 C 0.16 I 0.12 V 0.1 L 0.04 T 0.02 C Shift Assignments>> C :: 178.70652 CA :: 56.40535 CB :: 19.36393 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.72647 HB1 :: 1.18005 HB2 :: 1.18005 HB3 :: 1.18005 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.06 I 0.04 K 0.01 C Shift Assignments>> C :: 175.8083 CA :: 56.53459 CB :: 39.81198 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 :: 8.20019 HA :: 3.97821 HB2 :: 2.30253 HB3 :: 2.30253 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 :: 114.42226 Ave N Shift Values>> N :: 120.65(3.86) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.29 C 0.12 C Shift Assignments>> C :: 176.42151 CA :: 53.85739 CB :: 39.9607 CG :: 176.52978 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 :: 7.29339 HA :: 4.6879 HB2 :: 2.71721 HB3 :: 2.71721 HD21 :: 6.97843 HD22 :: 8.26778 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 :: 113.04336 ND2 :: 116.18869 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.19 K 0.16 F 0.12 Y 0.08 C 0.07 D 0.05 G 0.01 I 0.01 C Shift Assignments>> CA :: 57.62396 CB :: 42.80197 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 :: 8.27718 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 :: 120.65678 Ave N Shift Values>> N :: 121.86(3.9) 1.I30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.59816 CA :: 65.43163 CB :: 31.10748 CG :: 28.17052 CD :: 50.50324 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 :: 4.50513 HB2 :: 2.31597 HB3 :: 2.31597 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.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.08 C Shift Assignments>> C :: 178.22003 CA :: 58.26845 CB :: 33.11557 CG :: 25.02025 CD :: 29.46136 CE :: 41.93045 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 :: 6.88202 HA :: 4.14958 HB2 :: 1.87833 HB3 :: 1.87833 HG2 :: 1.34723 HG3 :: 1.34723 HD2 :: 1.59044 HD3 :: 1.59044 HE2 :: 2.94421 HE3 :: 2.94421 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 :: 112.22342 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.88078 CA :: 61.77065 CB :: 39.63593 CG1 :: 26.10908 CG2 :: 18.64386 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 :: 7.51239 HA :: 4.3722 HG21 :: 0.62094 HG22 :: 0.62094 HG23 :: 0.62094 HD11 :: 0.50197 HD12 :: 0.50197 HD13 :: 0.50197 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 :: 111.6951 Ave N Shift Values>> N :: 121.46(4.28) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> CA :: 50.51575 CB :: 19.69519 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8849 HA :: 4.91513 HB1 :: 1.18402 HB2 :: 1.18402 HB3 :: 1.18402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.23367 Ave N Shift Values>> N :: 123.23(3.54) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.68754 CA :: 64.37929 CB :: 31.70534 CG :: 27.41052 CD :: 50.32236 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 :: 4.68686 HB2 :: 2.49627 HB3 :: 2.49627 HG2 :: 1.98366 HG3 :: 1.98366 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.4 E 0.07 C Shift Assignments>> C :: 176.19177 CA :: 57.19995 CB :: 27.49351 CG :: 33.64613 CD :: 180.99304 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 :: 8.69577 HA :: 4.21667 HB2 :: 2.06333 HB3 :: 2.06333 HG2 :: 2.47476 HG3 :: 2.31649 HE21 :: 7.00096 HE22 :: 7.61693 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 :: 115.86469 NE2 :: 111.83609 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.04 L 0.03 C Shift Assignments>> C :: 177.65605 CA :: 53.73213 CB :: 19.89311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.06169 HA :: 4.38816 HB1 :: 1.40473 HB2 :: 1.40473 HB3 :: 1.40473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4589 Ave N Shift Values>> N :: 123.23(3.54) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 172.87823 CA :: 61.40324 CB :: 41.71647 CG1 :: 27.37464 CG2 :: 17.39463 CD1 :: 13.94818 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 :: 7.46907 HA :: 4.16275 HB :: 2.03633 HG12 :: 1.49545 HG13 :: 1.49545 HG21 :: 0.68593 HG22 :: 0.68593 HG23 :: 0.68593 HD11 :: 0.73691 HD12 :: 0.73691 HD13 :: 0.73691 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 :: 116.36317 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.1 C Shift Assignments>> C :: 177.01144 CA :: 57.28881 CB :: 34.06481 CG :: 24.91284 CD :: 29.3664 CE :: 42.14353 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 :: 8.6813 HA :: 4.42409 HB2 :: 1.73526 HB3 :: 1.73526 HG2 :: 1.39897 HG3 :: 1.39897 HD2 :: 1.60838 HD3 :: 1.60838 HE2 :: 2.97098 HE3 :: 2.97098 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 :: 125.03071 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.45 E 0.05 C Shift Assignments>> C :: 172.08748 CA :: 55.33817 CB :: 31.89843 CG :: 33.59135 CD :: 179.89126 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 :: 7.59607 HA :: 4.42739 HB2 :: 1.98865 HB3 :: 2.16955 HG2 :: 2.27496 HG3 :: 2.27496 HE21 :: 6.75803 HE22 :: 7.27668 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 :: 114.54683 NE2 :: 111.13801 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.21 C 0.09 C Shift Assignments>> C :: 175.5579 CA :: 51.01989 CB :: 22.00435 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.73812 HA :: 5.16059 HB1 :: 1.15798 HB2 :: 1.15798 HB3 :: 1.15798 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.10554 Ave N Shift Values>> N :: 123.23(3.54) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 E 0.07 C Shift Assignments>> C :: 174.86549 CA :: 54.45533 CB :: 34.36586 CG :: 36.46049 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 :: 8.71051 HA :: 4.65813 HB2 :: 1.87654 HB3 :: 1.87654 HG2 :: 2.04749 HG3 :: 2.04749 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 :: 120.81525 Ave N Shift Values>> N :: 120.67(3.48) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.F5 1.Y81 1.F5 1.Y81 C Shift Assignments>> C :: 176.20923 CA :: 62.01847 CB :: 37.58505 CG1 :: 28.6429 CG2 :: 18.53314 CD1 :: 12.3773 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 :: 9.02812 HA :: 4.10714 HB :: 1.84105 HG12 :: 1.62668 HG13 :: 1.62668 HG21 :: 0.7351 HG22 :: 0.7351 HG23 :: 0.7351 HD11 :: 0.76744 HD12 :: 0.76744 HD13 :: 0.76744 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 :: 125.30089 Ave N Shift Values>> N :: 121.46(4.28) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.36 R 0.09 A 0.05 G 0.03 C Shift Assignments>> C :: 177.21283 CA :: 55.85714 CB :: 42.65244 CG :: 26.15805 CD1 :: 22.40526 CD2 :: 26.1549 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 :: 9.14568 HA :: 4.44722 HB2 :: 1.62393 HB3 :: 1.62393 HG :: 1.6239 HD11 :: 0.75985 HD12 :: 0.75985 HD13 :: 0.75985 HD21 :: 0.8628 HD22 :: 0.8628 HD23 :: 0.8628 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 :: 128.85999 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 E 0.18 Q 0.01 C Shift Assignments>> C :: 174.84077 CA :: 55.75892 CB :: 33.63197 CG :: 36.24182 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 :: 7.64188 HA :: 4.59561 HB2 :: 1.96221 HB3 :: 1.96221 HG2 :: 2.18292 HG3 :: 2.18292 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 :: 116.43818 Ave N Shift Values>> N :: 120.67(3.48) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.54616 CA :: 44.53776 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5865 HA2 :: 4.64635 HA3 :: 3.77802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.93097 Ave N Shift Values>> N :: 109.67(3.87) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.33 C 0.07 C Shift Assignments>> C :: 176.20033 CA :: 52.35004 CB :: 39.57774 CG :: 177.67686 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 :: 8.25827 HA :: 4.91129 HB2 :: 3.1047 HB3 :: 2.81465 HD21 :: 6.8201 HD22 :: 7.59089 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 :: 113.88133 ND2 :: 111.34338 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.39098 CA :: 45.18923 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.73414 HA2 :: 4.71138 HA3 :: 3.46771 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0489 Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.75762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.05257 HA2 :: 4.80695 HA3 :: 4.00388 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.09663 Ave N Shift Values>> N :: 109.67(3.87) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.71894 CA :: 64.53031 CB :: 31.63956 CG :: 29.07162 CD :: 50.1546 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 :: 3.99746 HB2 :: 2.37694 HB3 :: 2.37694 HG2 :: 1.97592 HG3 :: 1.97592 HD2 :: 3.66662 HD3 :: 3.66662 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.G51 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 :: 174.39455 CA :: 44.78844 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.52768 HA2 :: 4.51864 HA3 :: 3.53531 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.48315 Ave N Shift Values>> N :: 109.67(3.87) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.V134 1.V134 C Shift Assignments>> C :: 173.24001 CA :: 64.52379 CB :: 69.72724 CG2 :: 21.13955 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 :: 8.00265 HA :: 4.62144 HB :: 4.05346 HG21 :: 1.28648 HG22 :: 1.28648 HG23 :: 1.28648 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 :: 119.26124 Ave N Shift Values>> N :: 115.42(4.75) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.31377 CA :: 59.30453 CB :: 39.63737 CG1 :: 27.07685 CG2 :: 18.00071 CD1 :: 12.00013 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 :: 8.56195 HA :: 5.27769 HB :: 1.79685 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.85001 HD12 :: 0.85001 HD13 :: 0.85001 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 :: 125.67675 Ave N Shift Values>> N :: 121.46(4.28) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.25 R 0.15 C Shift Assignments>> C :: 174.20646 CA :: 53.99569 CB :: 36.71772 CG :: 25.47877 CD :: 29.73235 CE :: 41.41615 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 :: 9.4369 HA :: 5.31584 HB2 :: 1.54047 HB3 :: 1.54047 HG2 :: 1.28221 HG3 :: 1.28221 HD2 :: 1.54043 HD3 :: 1.54043 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 :: 126.44686 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.27 R 0.23 C Shift Assignments>> C :: 175.09594 CA :: 54.73164 CB :: 36.19996 CG :: 25.77811 CD :: 29.88061 CE :: 41.65702 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 :: 9.29581 HA :: 5.17378 HB2 :: 1.80369 HB3 :: 1.80369 HG2 :: 1.14378 HG3 :: 1.14378 HD2 :: 1.45908 HD3 :: 1.45908 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 :: 123.49106 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.5867 CA :: 60.16256 CB :: 39.17718 CG1 :: 27.967 CG2 :: 18.82429 CD1 :: 12.89956 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 :: 9.23218 HA :: 4.60154 HB :: 1.58547 HG21 :: 0.62103 HG22 :: 0.62103 HG23 :: 0.62103 HD11 :: 0.46635 HD12 :: 0.46635 HD13 :: 0.46635 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 :: 132.49409 Ave N Shift Values>> N :: 121.46(4.28) 1.T57 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 :: 174.34199 CA :: 61.75259 CB :: 70.05461 CG2 :: 21.81486 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 :: 8.76265 HA :: 4.71814 HB :: 3.98042 HG21 :: 1.24905 HG22 :: 1.24905 HG23 :: 1.24905 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 :: 121.98069 Ave N Shift Values>> N :: 115.42(4.75) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.14 K 0.1 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 174.66336 CA :: 56.99302 CB :: 40.78315 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 :: 8.44816 HA :: 4.97493 HB2 :: 3.29616 HB3 :: 2.97298 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 :: 124.54972 Ave N Shift Values>> N :: 120.45(4.18) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.46815 CA :: 44.80664 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.87491 HA2 :: 4.04192 HA3 :: 4.04192 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.9101 Ave N Shift Values>> N :: 109.67(3.87) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 C 0.41 Q 0.07 K 0.03 I 0.01 C Shift Assignments>> C :: 177.20646 CA :: 56.72585 CB :: 30.98069 CG :: 36.06811 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 :: 8.28549 HA :: 4.17108 HB2 :: 1.99732 HB3 :: 1.99732 HG2 :: 2.24413 HG3 :: 2.24413 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 :: 119.26298 Ave N Shift Values>> N :: 120.67(3.48) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.12967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.88641 HA2 :: 4.80185 HA3 :: 3.90906 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.26913 Ave N Shift Values>> N :: 109.67(3.87) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.45028 CA :: 58.38632 CB :: 63.77821 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.46496 HB2 :: 3.89352 HB3 :: 3.89352 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) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.41 E 0.12 C Shift Assignments>> C :: 175.1419 CA :: 56.84933 CB :: 28.71701 CG :: 33.90328 CD :: 180.47323 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 :: 8.18468 HA :: 4.18991 HB2 :: 2.15786 HB3 :: 2.15786 HG2 :: 2.68233 HG3 :: 2.68233 HE21 :: 7.47003 HE22 :: 6.7757 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 :: 121.17114 NE2 :: 112.16374 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.26 C 0.16 I 0.08 D 0.07 L 0.04 N 0.04 E 0.01 C Shift Assignments>> C :: 175.83215 CA :: 57.25186 CB :: 38.99432 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 :: 7.92859 HA :: 4.74337 HB2 :: 2.79277 HB3 :: 2.96585 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 :: 118.23858 Ave N Shift Values>> N :: 120.52(4.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 171.74176 CA :: 45.44666 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3003 HA2 :: 3.94526 HA3 :: 3.94468 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.52982 Ave N Shift Values>> N :: 109.67(3.87) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.22 D 0.16 F 0.13 Y 0.09 C 0.06 R 0.05 N 0.01 C Shift Assignments>> C :: 174.34029 CA :: 56.14728 CB :: 41.67905 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 :: 8.00717 HA :: 5.55712 HB2 :: 2.95096 HB3 :: 2.85797 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 :: 115.42564 Ave N Shift Values>> N :: 120.52(4.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.07 V 0.03 C Shift Assignments>> C :: 175.48053 CA :: 59.57686 CB :: 36.60685 CG1 :: 19.38097 CG2 :: 23.79181 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 :: 8.8142 HA :: 4.9414 HB :: 1.98315 HG11 :: 0.75744 HG12 :: 0.75744 HG13 :: 0.75744 HG21 :: 1.2016 HG22 :: 1.2016 HG23 :: 1.2016 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 :: 112.41276 Ave N Shift Values>> N :: 121.14(4.54) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.37 K 0.13 C Shift Assignments>> C :: 175.5378 CA :: 55.35371 CB :: 36.46074 CG :: 26.52242 CD :: 29.87451 CE :: 41.76231 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 :: 8.6943 HA :: 5.67958 HB2 :: 1.71425 HB3 :: 1.71425 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 :: 118.83207 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.26 E 0.08 Y 0.04 F 0.02 K 0.02 Q 0.01 D 0.01 C Shift Assignments>> C :: 174.00196 CA :: 52.19714 CB :: 36.30942 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 :: 9.09493 HA :: 5.89451 HB2 :: 2.83269 HB3 :: 2.83269 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 :: 122.5647 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 G 0.17 K 0.08 C Shift Assignments>> C :: 175.96607 CA :: 53.25507 CB :: 33.90447 CG :: 26.80714 CD :: 43.31072 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 :: 9.65905 HA :: 5.60505 HB2 :: 1.97994 HB3 :: 1.97994 HG2 :: 1.49872 HG3 :: 1.49872 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 :: 123.14949 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.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 174.96632 CA :: 62.46693 CB :: 37.25143 CG1 :: 27.62936 CG2 :: 17.40074 CD1 :: 12.22494 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 :: 9.27599 HA :: 3.97205 HB :: 2.12466 HG21 :: 0.95439 HG22 :: 0.95439 HG23 :: 0.95439 HD11 :: 0.89369 HD12 :: 0.89369 HD13 :: 0.89369 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 :: 126.92508 Ave N Shift Values>> N :: 121.46(4.28) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.25 K 0.14 D 0.1 F 0.09 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 176.23056 CA :: 56.27978 CB :: 42.79899 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 :: 9.19006 HA :: 5.03309 HB2 :: 2.63798 HB3 :: 2.42452 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 :: 130.59357 Ave N Shift Values>> N :: 120.65(3.86) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.14536 CA :: 58.35635 CB :: 64.7981 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22282 HA :: 4.62934 HB2 :: 3.81305 HB3 :: 3.81305 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 :: 113.07956 Ave N Shift Values>> N :: 116.28(3.52) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.02507 CA :: 62.20971 CB :: 41.57594 CG1 :: 28.61878 CG2 :: 17.37371 CD1 :: 14.70921 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 :: 8.61866 HA :: 4.75938 HB :: 2.04615 HG12 :: 1.32968 HG13 :: 1.32968 HG21 :: 1.13126 HG22 :: 1.13126 HG23 :: 1.13126 HD11 :: 0.98473 HD12 :: 0.98473 HD13 :: 0.98473 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 :: 122.21027 Ave N Shift Values>> N :: 121.46(4.28) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.1 R 0.09 N 0.06 F 0.04 C 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.39373 CA :: 52.96339 CB :: 42.28373 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 :: 9.08944 HA :: 5.08361 HB2 :: 2.86788 HB3 :: 2.51134 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 :: 126.89799 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.17 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.69422 CA :: 59.22234 CB :: 29.71135 CG :: 36.69445 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 :: 9.30551 HA :: 3.34484 HB2 :: 2.00753 HB3 :: 2.00753 HG2 :: 2.19254 HG3 :: 2.19254 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 :: 127.19611 Ave N Shift Values>> N :: 120.67(3.48) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.03 I 0.02 C Shift Assignments>> C :: 178.14656 CA :: 54.27232 CB :: 18.39719 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07223 HA :: 3.84221 HB1 :: 1.38585 HB2 :: 1.38585 HB3 :: 1.38585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6673 Ave N Shift Values>> N :: 123.23(3.54) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.01492 CA :: 56.69612 CB :: 64.00283 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.02301 HA :: 4.34923 HB2 :: 3.90166 HB3 :: 3.70453 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 :: 109.23446 Ave N Shift Values>> N :: 116.28(3.52) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.27 Y 0.15 F 0.09 I 0.07 K 0.03 N 0.01 Q 0.01 C Shift Assignments>> C :: 173.88144 CA :: 57.65415 CB :: 36.55848 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 :: 7.15353 HA :: 3.65736 HB2 :: 3.06426 HB3 :: 2.83728 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 :: 119.91996 Ave N Shift Values>> N :: 120.52(4.2) 1.S80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 173.18701 CA :: 57.20214 CB :: 66.5233 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1088 HA :: 5.82872(S) HB2 :: 3.85218 HB3 :: 3.85218 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 :: 111.07744 Ave N Shift Values>> N :: 116.28(3.52) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.27 K 0.12 D 0.1 F 0.08 Y 0.05 C 0.05 G 0.02 HN Overlap>> 1.I43 1.F5 1.I43 1.F5 C Shift Assignments>> C :: 173.71503 CA :: 56.12357 CB :: 42.9308 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 :: 9.0243 HA :: 5.52374 HB2 :: 2.9044 HB3 :: 3.31367 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 :: 125.39971 Ave N Shift Values>> N :: 120.52(4.2) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.93443 CA :: 56.79324 CB :: 65.90832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.29833 HA :: 5.52534 HB2 :: 4.12967 HB3 :: 4.12967 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 :: 122.95539 Ave N Shift Values>> N :: 116.28(3.52) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 D 0.16 K 0.1 C 0.09 I 0.02 N 0.02 C Shift Assignments>> C :: 172.41826 CA :: 56.75304 CB :: 40.76192 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 :: 8.54422 HA :: 5.37844 HB2 :: 2.71878 HB3 :: 2.71878 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 :: 121.38887 Ave N Shift Values>> N :: 120.52(4.2) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 173.47615 CA :: 62.15848 CB :: 72.06696 CG2 :: 22.37515 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 :: 9.48269 HA :: 5.02759 HB :: 3.9035 HG21 :: 0.99187 HG22 :: 0.99187 HG23 :: 0.99187 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 :: 116.7003 Ave N Shift Values>> N :: 115.42(4.75) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.33 L 0.15 G 0.13 C Shift Assignments>> C :: 174.89806 CA :: 55.70559 CB :: 43.77668 CG :: 28.65637 CD1 :: 26.43319 CD2 :: 26.21027 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 :: 9.65411 HA :: 5.15582 HB2 :: 1.8059 HB3 :: 1.8059 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 :: 130.19671 Ave N Shift Values>> N :: 121.86(3.9) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 176.32987 CA :: 61.10407 CB :: 39.68167 CG1 :: 26.83611 CG2 :: 18.67298 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 :: 8.17251 HA :: 4.7957 HB :: 2.15372 HG21 :: 0.9564 HG22 :: 0.9564 HG23 :: 0.9564 HD11 :: 0.93188 HD12 :: 0.93188 HD13 :: 0.93188 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 :: 117.95728 Ave N Shift Values>> N :: 121.46(4.28) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 E 0.02 C Shift Assignments>> C :: 173.8081 CA :: 57.09697 CB :: 35.11132 CG :: 37.31906 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 :: 7.6376 HA :: 4.52041 HB2 :: 2.50125 HB3 :: 2.28453 HG2 :: 1.86343 HG3 :: 1.86343 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 :: 121.54576 Ave N Shift Values>> N :: 120.67(3.48) 1.G88 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 :: 173.50985 CA :: 45.03807 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.76173 HA2 :: 3.63253 HA3 :: 3.63253 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.67667 Ave N Shift Values>> N :: 109.67(3.87) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.19 L 0.18 Y 0.15 D 0.13 C 0.08 R 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 176.46218 CA :: 56.95144 CB :: 41.27496 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 :: 8.35118 HA :: 4.36062 HB2 :: 2.61011 HB3 :: 2.76419 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 :: 119.52609 Ave N Shift Values>> N :: 120.65(3.86) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 177.33789 CA :: 53.46258 CB :: 19.42654 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.93447 HA :: 4.13071 HB1 :: 1.35528 HB2 :: 1.35528 HB3 :: 1.35528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.73629 Ave N Shift Values>> N :: 123.23(3.54) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 A 0.06 C Shift Assignments>> C :: 177.14948 CA :: 54.34467 CB :: 39.83558 CG :: 27.37437 CD1 :: 25.49002 CD2 :: 23.03184 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 :: 7.61062 HA :: 4.46463 HB2 :: 2.03974 HB3 :: 1.7178 HG :: 1.48238 HD11 :: 0.8324 HD12 :: 0.8324 HD13 :: 0.8324 HD21 :: 0.67274 HD22 :: 0.67274 HD23 :: 0.67274 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 :: 115.98807 Ave N Shift Values>> N :: 121.86(3.9) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.30912 CA :: 60.18475 CB :: 71.52837 CG2 :: 21.8204 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 :: 7.83293 HA :: 4.73136 HB :: 4.61753 HG21 :: 1.29399 HG22 :: 1.29399 HG23 :: 1.29399 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 :: 112.43952 Ave N Shift Values>> N :: 115.42(4.75) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 D 0.18 L 0.15 C 0.09 K 0.05 N 0.04 I 0.02 C Shift Assignments>> C :: 177.19621 CA :: 56.44691 CB :: 40.44138 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 :: 8.7411 HA :: 4.47592 HB2 :: 2.78711 HB3 :: 2.78711 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 :: 117.23132 Ave N Shift Values>> N :: 120.65(3.86) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.91189 CA :: 62.47365 CB :: 69.8755 CG2 :: 22.5692 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 :: 7.95722 HA :: 4.83425 HB :: 4.37951 HG21 :: 1.21775 HG22 :: 1.21775 HG23 :: 1.21775 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 :: 108.35886 Ave N Shift Values>> N :: 115.42(4.75) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.31171 CA :: 61.39627 CB :: 39.02462 CG1 :: 28.08493 CG2 :: 19.09288 CD1 :: 14.88547 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 :: 7.72465 HA :: 4.40157 HB :: 2.08343 HG12 :: 1.19674 HG13 :: 1.19674 HG21 :: 0.9633 HG22 :: 0.9633 HG23 :: 0.9633 HD11 :: 0.70721 HD12 :: 0.70721 HD13 :: 0.70721 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 :: 123.46729 Ave N Shift Values>> N :: 121.46(4.28) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.39 Q 0.02 I 0.01 C Shift Assignments>> C :: 176.37182 CA :: 58.00249 CB :: 31.93362 CG :: 36.25071 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 :: 8.77029 HA :: 4.2547 HB2 :: 1.97315 HB3 :: 1.97315 HG2 :: 2.22285 HG3 :: 2.22285 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 :: 125.59888 Ave N Shift Values>> N :: 120.67(3.48) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.46 C Shift Assignments>> C :: 173.33817 CA :: 55.93299 CB :: 34.66589 CG :: 23.86626 CD :: 29.70152 CE :: 41.21815 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 :: 7.73079 HA :: 4.65455 HB2 :: 1.9199 HB3 :: 1.9199 HG2 :: 1.02018 HG3 :: 1.02018 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 :: 112.28932 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 174.53319 CA :: 60.4738 CB :: 41.44599 CG1 :: 27.33737 CG2 :: 16.52112 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 :: 7.23466 HA :: 4.923 HG12 :: 1.36341 HG13 :: 1.36341 HG21 :: -0.25646(S) HG22 :: -0.25646(S) HG23 :: -0.25646(S) 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 :: 119.75656 Ave N Shift Values>> N :: 121.46(4.28) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.75698 CA :: 57.24974 CB :: 65.61844 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.15233 HA :: 5.09094 HB2 :: 3.90514 HB3 :: 3.90514 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 :: 123.0601 Ave N Shift Values>> N :: 116.28(3.52) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.19 F 0.16 Y 0.12 D 0.12 C 0.07 R 0.05 I 0.01 N 0.01 C Shift Assignments>> C :: 176.3166 CA :: 56.95094 CB :: 41.59602 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 :: 9.17803 HA :: 5.31041 HB2 :: 2.57585 HB3 :: 2.57585 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 :: 121.61666 Ave N Shift Values>> N :: 120.52(4.2) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 E 0.19 HN Overlap>> 1.S117 1.S117 C Shift Assignments>> C :: 175.44573 CA :: 55.54386 CB :: 33.44035 CG :: 36.78795 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 :: 9.09962 HA :: 5.09257 HB2 :: 2.14794 HB3 :: 2.14794 HG2 :: 2.81186 HG3 :: 2.81186 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 :: 120.91567 Ave N Shift Values>> N :: 120.67(3.48) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.13722 CA :: 61.93864 CB :: 71.5848 CG2 :: 22.36466 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 :: 9.28887 HA :: 5.53518 HB :: 4.2324 HG21 :: 1.34544 HG22 :: 1.34544 HG23 :: 1.34544 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 :: 121.99891 Ave N Shift Values>> N :: 115.42(4.75) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.25 G 0.02 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 174.72935 CA :: 55.20646 CB :: 36.58895 CG :: 25.15335 CD :: 29.51835 CE :: 42.39418 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 :: 9.09124 HA :: 5.55939 HB2 :: 1.88406 HB3 :: 1.88406 HG2 :: 1.46887 HG3 :: 1.46887 HD2 :: 1.81489 HD3 :: 1.81489 HE2 :: 2.93802 HE3 :: 2.93802 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 :: 126.73174 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 L 0.27 R 0.24 G 0.17 C Shift Assignments>> C :: 175.55422 CA :: 53.869 CB :: 43.5018 CG :: 26.96565 CD1 :: 27.13479 CD2 :: 27.01817 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 :: 8.53056 HA :: 5.48657 HB2 :: 1.96531 HB3 :: 1.96531 HD11 :: 0.93805 HD12 :: 0.93805 HD13 :: 0.93805 HD21 :: 1.11003 HD22 :: 1.11003 HD23 :: 1.11003 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 :: 123.68439 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 175.25289 CA :: 59.99242 CB :: 35.88704 CG1 :: 21.12196 CG2 :: 21.3907 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 :: 8.71417 HA :: 4.42796 HB :: 2.02731 HG11 :: 0.92638 HG12 :: 0.92638 HG13 :: 0.92638 HG21 :: 1.03967 HG22 :: 1.03967 HG23 :: 1.03967 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 :: 118.63543 Ave N Shift Values>> N :: 121.14(4.54) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.02 C Shift Assignments>> C :: 177.37738 CA :: 53.69537 CB :: 18.83818 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.99804 HA :: 4.20029 HB1 :: 1.50027 HB2 :: 1.50027 HB3 :: 1.50027 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.11043 Ave N Shift Values>> N :: 123.23(3.54) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 C 0.18 Q 0.12 L 0.12 I 0.1 H 0.08 K 0.07 E 0.07 C Shift Assignments>> CA :: 57.95819 CB :: 27.37018 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.87324 HA :: 4.47617 HB2 :: 2.49118 HB3 :: 2.49118 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 :: 124.62244 Ave N Shift Values>> N :: 120.17(4.64) 1.G108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.20636 CA :: 59.05821 CB :: 63.67678 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.57561 HB2 :: 4.21669 HB3 :: 3.87545 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) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.47856 CA :: 44.24286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.03154 HA2 :: 4.1264 HA3 :: 3.86236 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.25978 Ave N Shift Values>> N :: 109.67(3.87) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 S 0.06 C Shift Assignments>> C :: 173.15645 CA :: 59.18406 CB :: 67.96837 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.95516 HA :: 5.43329 HB2 :: 3.40504 HB3 :: 3.40504 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 :: 120.673 Ave N Shift Values>> N :: 116.28(3.52) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 173.06925 CA :: 62.57731 CB :: 69.8586 CG2 :: 22.95348 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 :: 9.41799 HA :: 4.62476 HB :: 3.78792 HG21 :: 1.05038 HG22 :: 1.05038 HG23 :: 1.05038 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 :: 120.89409 Ave N Shift Values>> N :: 115.42(4.75) 1.I113 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 :: 174.62872 CA :: 61.35905 CB :: 38.72624 CG1 :: 28.68003 CG2 :: 19.28942 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 :: 9.18711 HA :: 4.38605 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 :: 127.49693 Ave N Shift Values>> N :: 121.46(4.28) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.34 R 0.12 C Shift Assignments>> C :: 175.12719 CA :: 55.0597 CB :: 33.87275 CG :: 25.362 CD :: 29.34758 CE :: 41.86687 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 :: 9.10114 HA :: 4.90058 HB2 :: 1.84807 HB3 :: 1.84807 HG2 :: 1.36621 HG3 :: 1.36621 HD2 :: 1.64522 HD3 :: 1.64522 HE2 :: 2.86895 HE3 :: 2.86895 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 :: 127.59602 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 :: 173.67679 CA :: 56.89118 CB :: 64.41292 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.83917 HA :: 5.4438 HB2 :: 3.72299 HB3 :: 3.93389 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 :: 120.06214 Ave N Shift Values>> N :: 116.28(3.52) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.15192 CA :: 60.53712 CB :: 40.8377 CG1 :: 28.21684 CG2 :: 19.08199 CD1 :: 13.83871 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 :: 9.42391 HA :: 4.92042 HB :: 1.79379 HG12 :: 1.39082 HG13 :: 1.39082 HG21 :: 0.50271 HG22 :: 0.50271 HG23 :: 0.50271 HD11 :: 0.84393 HD12 :: 0.84393 HD13 :: 0.84393 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 :: 129.77594 Ave N Shift Values>> N :: 121.46(4.28) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 172.74524 CA :: 55.87337 CB :: 66.34866 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.07974 HA :: 5.08964 HB2 :: 3.60182 HB3 :: 3.60182 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 :: 120.99516 Ave N Shift Values>> N :: 116.28(3.52) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.24 R 0.21 C 0.2 Q 0.13 E 0.09 K 0.09 C Shift Assignments>> C :: 174.10127 CA :: 53.51576 CB :: 30.86063 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 :: 9.28887 HA :: 5.38561 HB2 :: 3.31978 HB3 :: 2.399 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 :: 120.73066 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.06 K 0.05 C Shift Assignments>> C :: 174.82945 CA :: 58.20293 CB :: 40.48499 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 :: 10.14282 HA :: 4.61134 HB2 :: 3.56441 HB3 :: 2.64245 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 :: 125.82328 Ave N Shift Values>> N :: 120.52(4.2) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 C 0.16 E 0.15 Q 0.14 K 0.1 C Shift Assignments>> C :: 175.61435 CA :: 55.91527 CB :: 30.78755 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 :: 8.61269 HA :: 5.09229 HB2 :: 3.24991 HB3 :: 3.24991 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 :: 124.762 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.27 C Shift Assignments>> C :: 174.60294 CA :: 60.29229 CB :: 71.33933 CG2 :: 22.44243 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 :: 8.7914 HA :: 5.44473 HB :: 4.46778 HG21 :: 1.34107 HG22 :: 1.34107 HG23 :: 1.34107 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 :: 115.12841 Ave N Shift Values>> N :: 115.42(4.75) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.35 R 0.2 G 0.01 HN Overlap>> 1.E147 1.E147 C Shift Assignments>> C :: 176.60153 CA :: 55.76382 CB :: 34.46422 CG :: 25.37738 CD :: 29.37246 CE :: 42.29673 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 :: 8.74529 HA :: 4.66105 HB2 :: 1.94417 HB3 :: 1.94417 HG2 :: 1.42542 HG3 :: 1.42542 HD2 :: 1.74981 HD3 :: 1.74981 HE2 :: 2.92179 HE3 :: 2.92179 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 :: 121.07103 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.40959 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.33352 HA2 :: 4.79838 HA3 :: 3.99908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.99706 Ave N Shift Values>> N :: 109.67(3.87) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.22 C 0.12 C Shift Assignments>> C :: 174.66672 CA :: 53.04335 CB :: 38.50241 CG :: 177.67995 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>> HA :: 4.85446 HB2 :: 2.91436 HB3 :: 2.77929 HD21 :: 7.5917 HD22 :: 6.87962 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>> ND2 :: 112.33678 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.40919 CA :: 60.19451 CB :: 39.55598 CG1 :: 27.40906 CG2 :: 17.72359 CD1 :: 13.23066 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 :: 7.57886 HA :: 4.25408 HB :: 1.89754 HG12 :: 1.41844 HG13 :: 1.18789 HG21 :: 0.88843 HG22 :: 0.88843 HG23 :: 0.88843 HD11 :: 0.84169 HD12 :: 0.84169 HD13 :: 0.84169 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 :: 119.83681 Ave N Shift Values>> N :: 121.46(4.28) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.2 C 0.17 K 0.14 E 0.12 Q 0.11 C Shift Assignments>> CA :: 55.33253 CB :: 31.30335 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 :: 8.23066 HA :: 4.06388 HB2 :: 1.82033 HB3 :: 1.82033 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 :: 124.9704 Ave N Shift Values>> N :: 120.67(3.48) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 I 0.4 C Shift Assignments>> C :: 174.73334 CA :: 58.8283 CB :: 37.16747 CG1 :: 27.15741 CG2 :: 17.39652 CD1 :: 10.71901 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>> HA :: 4.05031 HG21 :: 0.32579 HG22 :: 0.32579 HG23 :: 0.32579 HD11 :: 0.44249 HD12 :: 0.44249 HD13 :: 0.44249 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) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.33 R 0.15 G 0.01 C Shift Assignments>> C :: 177.20625 CA :: 54.85895 CB :: 34.52979 CG :: 25.20094 CD :: 29.04893 CE :: 42.30494 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 :: 9.24925 HA :: 4.51692 HB2 :: 1.98305 HB3 :: 1.98305 HG2 :: 1.36857 HG3 :: 1.36857 HD2 :: 1.61353 HD3 :: 1.61353 HE2 :: 2.91616 HE3 :: 2.91616 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 :: 127.65188 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.16 K 0.06 Q 0.03 C Shift Assignments>> C :: 178.70916 CA :: 59.54267 CB :: 29.48706 CG :: 36.19628 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 :: 8.83616 HA :: 4.79671 HB2 :: 1.99331 HB3 :: 1.99331 HG2 :: 2.26842 HG3 :: 2.26842 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 :: 122.95941 Ave N Shift Values>> N :: 120.67(3.48) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.13 K 0.11 Q 0.07 C Shift Assignments>> C :: 177.71345 CA :: 59.15715 CB :: 29.18297 CG :: 35.8073 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 :: 8.9213 HA :: 4.80528 HB2 :: 1.85939 HB3 :: 1.85939 HG2 :: 1.97564 HG3 :: 1.97564 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 :: 116.65642 Ave N Shift Values>> N :: 120.67(3.48) 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.16 R 0.15 H 0.12 E 0.12 V 0.09 Q 0.05 C Shift Assignments>> C :: 177.72555 CA :: 58.61344 CB :: 31.81444 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 :: 7.51358 HA :: 4.41477 HB2 :: 3.13337 HB3 :: 3.13337 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 :: 117.8554 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 177.41592 CA :: 62.30269 CB :: 31.81396 CG1 :: 21.02982 CG2 :: 19.29922 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 :: 7.13123 HA :: 4.05404 HB :: 1.94148 HG11 :: 0.23266 HG12 :: 0.23266 HG13 :: 0.23266 HG21 :: 0.07972 HG22 :: 0.07972 HG23 :: 0.07972 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 :: 114.65704 Ave N Shift Values>> N :: 121.14(4.54) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.46 R 0.04 C Shift Assignments>> C :: 177.91253 CA :: 59.78968 CB :: 32.94675 CG :: 24.91708 CD :: 29.54095 CE :: 41.76479 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 :: 7.61417 HA :: 4.16267 HB2 :: 1.8316 HB3 :: 1.8316 HG2 :: 1.44353 HG3 :: 1.44353 HD2 :: 1.67563 HD3 :: 1.67563 HE2 :: 2.92639 HE3 :: 2.92639 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 :: 122.68134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.T52 1.T52 C Shift Assignments>> C :: 178.53396 CA :: 65.89071 CB :: 31.58209 CG1 :: 21.14745 CG2 :: 22.57122 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 :: 8.06063 HA :: 3.81604 HB :: 2.03916 HG11 :: 0.92929 HG12 :: 0.92929 HG13 :: 0.92929 HG21 :: 1.04798 HG22 :: 1.04798 HG23 :: 1.04798 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 :: 119.21932 Ave N Shift Values>> N :: 121.14(4.54) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 176.94929 CA :: 47.06587 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.02975 HA2 :: 3.88507 HA3 :: 3.88486 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.16327 Ave N Shift Values>> N :: 109.67(3.87) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.08 C Shift Assignments>> C :: 178.41926 CA :: 59.60759 CB :: 32.60338 CG :: 24.97451 CD :: 30.02714 CE :: 42.0548 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 :: 7.97463 HA :: 4.11654 HB2 :: 1.93406 HB3 :: 1.93406 HG2 :: 1.39038 HG3 :: 1.39038 HD2 :: 1.5968 HD3 :: 1.5968 HE2 :: 2.8587 HE3 :: 2.8587 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 :: 123.70503 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.2 K 0.05 Q 0.01 C Shift Assignments>> C :: 180.33499 CA :: 59.3102 CB :: 29.39237 CG :: 36.64279 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 :: 8.29421 HA :: 4.78595 HB2 :: 2.03218 HB3 :: 1.95312 HG2 :: 2.4559 HG3 :: 2.31505 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 :: 119.90316 Ave N Shift Values>> N :: 120.67(3.48) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.11 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 179.43181 CA :: 59.21212 CB :: 32.35006 CG :: 25.41019 CD :: 29.22051 CE :: 42.08177 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 :: 8.41241 HA :: 4.09226 HB2 :: 1.84071 HB3 :: 1.84071 HG2 :: 1.41865 HG3 :: 1.41865 HD2 :: 1.56019 HD3 :: 1.56019 HE2 :: 2.78588 HE3 :: 2.78588 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 :: 120.97842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 I 0.07 C 0.05 C Shift Assignments>> C :: 179.73202 CA :: 55.14725 CB :: 18.24125 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87263 HA :: 4.02266 HB1 :: 1.49518 HB2 :: 1.49518 HB3 :: 1.49518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4254 Ave N Shift Values>> N :: 123.23(3.54) 1.H140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.16 R 0.16 H 0.14 Q 0.09 K 0.08 V 0.06 I 0.02 C Shift Assignments>> C :: 177.75596 CA :: 58.97997 CB :: 30.78851 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 :: 8.44588 HA :: 4.00526 HB2 :: 3.10807 HB3 :: 3.10807 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 :: 118.56012 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.51362 CA :: 47.25111 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27341 HA2 :: 3.93247 HA3 :: 3.72985 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.93364 Ave N Shift Values>> N :: 109.67(3.87) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.31 C Shift Assignments>> C :: 178.57665 CA :: 57.81953 CB :: 41.46304 CD1 :: 24.33641 CD2 :: 24.33641 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 :: 7.63025 HA :: 4.15245 HB2 :: 1.65649 HB3 :: 1.65649 HG :: 1.65635 HD11 :: 0.87004 HD12 :: 0.87004 HD13 :: 0.87004 HD21 :: 0.87004 HD22 :: 0.87004 HD23 :: 0.87004 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 :: 122.83797 Ave N Shift Values>> N :: 121.86(3.9) 1.F143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.22 Y 0.15 F 0.11 E 0.02 V 0.01 C Shift Assignments>> C :: 177.87255 CA :: 61.57484 CB :: 37.66737 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 :: 7.99795 HA :: 4.11893 HB2 :: 2.78925 HB3 :: 2.78925 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 :: 118.57501 Ave N Shift Values>> N :: 120.45(4.18) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 179.41525 CA :: 58.97628 CB :: 31.6841 CG :: 24.85368 CD :: 28.59112 CE :: 41.76572 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 :: 8.26425 HA :: 3.94189 HB2 :: 1.87947 HB3 :: 1.87947 HG2 :: 1.46156 HG3 :: 1.46156 HD2 :: 1.65253 HD3 :: 1.65253 HE2 :: 2.90304 HE3 :: 2.78286 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 :: 118.56074 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.38 R 0.05 G 0.01 C Shift Assignments>> C :: 180.17308 CA :: 58.27033 CB :: 42.39504 CG :: 26.70104 CD1 :: 25.5253 CD2 :: 23.50919 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 :: 7.58096 HA :: 4.15564 HB2 :: 2.03953 HB3 :: 2.03953 HG :: 1.52353 HD11 :: 0.93241 HD12 :: 0.93241 HD13 :: 0.93241 HD21 :: 0.9271 HD22 :: 0.9271 HD23 :: 0.9271 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 :: 120.44096 Ave N Shift Values>> N :: 121.86(3.9) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.03665 CA :: 65.17067 CB :: 37.71055 CG1 :: 29.34593 CG2 :: 17.51827 CD1 :: 13.68165 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 :: 7.95673 HA :: 3.51987 HB :: 1.87007 HG21 :: 0.65943 HG22 :: 0.65943 HG23 :: 0.65943 HD11 :: 0.7381 HD12 :: 0.7381 HD13 :: 0.7381 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 :: 121.14158 Ave N Shift Values>> N :: 121.46(4.28) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.27 I 0.22 K 0.01 HN Overlap>> 1.K122 1.K122 C Shift Assignments>> C :: 177.98413 CA :: 60.28175 CB :: 30.31213 CG :: 37.0954 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 :: 8.72791 HA :: 3.61508 HB2 :: 1.94311 HB3 :: 1.94311 HG2 :: 2.11945 HG3 :: 2.11945 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 :: 120.98039 Ave N Shift Values>> N :: 120.67(3.48) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.23 I 0.21 P 0.11 C 0.06 F 0.02 Y 0.02 S 0.02 C Shift Assignments>> C :: 175.87193 CA :: 62.18584 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22321 HA :: 4.10879 HB2 :: 3.813 HB3 :: 3.813 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 :: 113.20856 Ave N Shift Values>> N :: 116.28(3.52) 1.Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.17 Y 0.12 F 0.1 C Shift Assignments>> C :: 178.88796 CA :: 62.49659 CB :: 38.49537 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 :: 7.83801 HA :: 4.3808 HB2 :: 3.21828 HB3 :: 3.21828 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 :: 121.78068 Ave N Shift Values>> N :: 120.52(4.2) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.48 C Shift Assignments>> C :: 179.92213 CA :: 57.54918 CB :: 41.05037 CG :: 27.61987 CD1 :: 23.35584 CD2 :: 23.35584 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 :: 8.58133 HA :: 4.04434 HB2 :: 2.06143 HB3 :: 2.06143 HG :: 1.38529 HD11 :: 1.01402 HD12 :: 1.01402 HD13 :: 1.01402 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 :: 119.48476 Ave N Shift Values>> N :: 121.86(3.9) 1.K151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.1 HN Overlap>> 1.K138 1.K138 C Shift Assignments>> C :: 178.25022 CA :: 59.36257 CB :: 32.28066 CG :: 25.71509 CD :: 29.46392 CE :: 41.77195 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 :: 8.35802 HA :: 4.03582 HB2 :: 1.91036 HB3 :: 1.91036 HG2 :: 1.41586 HG3 :: 1.41586 HD2 :: 1.63617 HD3 :: 1.63617 HE2 :: 2.93671 HE3 :: 2.93671 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 :: 120.9073 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 F 0.13 Y 0.1 K 0.09 N 0.08 C 0.06 C Shift Assignments>> C :: 175.56951 CA :: 55.1804 CB :: 40.88305 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 :: 7.71243 HA :: 4.43376 HB2 :: 2.56938 HB3 :: 2.29585 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 :: 117.00976 Ave N Shift Values>> N :: 120.65(3.86) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.2 C 0.14 Q 0.14 H 0.11 K 0.08 E 0.04 C Shift Assignments>> CA :: 53.55609 CB :: 27.65105 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 :: 7.31712 HA :: 4.90044 HB2 :: 2.62302 HB3 :: 2.62302 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 :: 116.22044 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 175.98757 CA :: 64.8213 CB :: 32.26136 CG :: 27.16761 CD :: 50.59923 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 :: 4.39484 HB2 :: 2.39132 HB3 :: 2.39132 HG2 :: 1.97314 HG3 :: 1.97314 HD2 :: 3.61703 HD3 :: 3.31331 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.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.17 F 0.09 Y 0.07 C 0.06 K 0.03 C Shift Assignments>> C :: 176.27817 CA :: 53.83864 CB :: 40.52811 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 :: 8.6269 HA :: 4.53206 HB2 :: 2.64484 HB3 :: 2.64484 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 :: 114.15117 Ave N Shift Values>> N :: 120.65(3.86) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.02 L 0.01 C Shift Assignments>> C :: 177.719 CA :: 52.58841 CB :: 19.84846 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.75157 HA :: 4.19876 HB1 :: 1.44358 HB2 :: 1.44358 HB3 :: 1.44358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.34554 Ave N Shift Values>> N :: 123.23(3.54) 1.Y157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 V 0.14 E 0.13 I 0.09 K 0.07 Q 0.05 Y 0.05 F 0.02 C Shift Assignments>> C :: 173.37771 CA :: 60.19833 CB :: 35.12229 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 :: 8.75265 HA :: 4.08258 HB2 :: 3.37877 HB3 :: 3.06064 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 :: 117.73008 Ave N Shift Values>> N :: 120.52(4.2) 1.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.58 N 0.29 C 0.12 C Shift Assignments>> CA :: 54.42457 CB :: 40.77856 CG :: 177.9673 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 :: 7.67431 HA :: 4.66916 HB2 :: 2.78695 HB3 :: 2.53647 HD21 :: 7.20326 HD22 :: 6.8863 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 :: 120.83813 ND2 :: 112.16374 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 154 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 155 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 158 #Suspicious: 0 C Shift Results: #Consistent: 614 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 906 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 152 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S16 HA = 5.82764(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.5414e-04 1.V23 HG11 = -0.28563(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7796e-05 1.V23 HG12 = -0.28563(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7796e-05 1.V23 HG13 = -0.28563(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7796e-05 1.S80 HA = 5.82872(S), Expected = 4.48, Std = 0.4000, ChiSquare = 7.4679e-04 1.I98 HG21 = -0.25646(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4370e-04 1.I98 HG22 = -0.25646(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4370e-04 1.I98 HG23 = -0.25646(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4370e-04