Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.34 Q 0.31 K 0.22 E 0.07 R 0.03 C Shift Assignments>> CA :: 55.024 CB :: 33.1102 CG :: 30.6422 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.256 HB2 :: 2.322 HB3 :: 2.322 HG2 :: 2.78 HG3 :: 2.78 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.33 L 0.2 N 0.14 K 0.11 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.089 CA :: 53.951 CB :: 41.0352 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.95 HB2 :: 2.911 HB3 :: 2.967 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.73 CA :: 62.351 CB :: 68.856 CG2 :: 21.2312 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.349 HA :: 4.448 HB :: 4.447 HG21 :: 1.404 HG22 :: 1.404 HG23 :: 1.404 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.974 Ave N Shift Values>> N :: 115.7(5.05) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.14 F 0.13 Y 0.12 K 0.08 R 0.01 I 0.01 C Shift Assignments>> C :: 177.069 CA :: 54.748 CB :: 40.4812 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.484 HA :: 4.831 HB2 :: 2.91 HB3 :: 2.91 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.821 Ave N Shift Values>> N :: 120.73(4.2) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.307 CA :: 58.859 CB :: 63.202 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.278 HA :: 4.664 HB2 :: 4.179 HB3 :: 4.134 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.002 Ave N Shift Values>> N :: 116.3(3.95) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.25 K 0.14 Q 0.06 M 0.03 C Shift Assignments>> C :: 177.796 CA :: 59.106 CB :: 29.2242 CG :: 36.0722 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.574 HA :: 4.155 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.425 HG3 :: 2.506 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.576 Ave N Shift Values>> N :: 120.68(3.68) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.21 K 0.18 Q 0.11 M 0.02 R 0.01 HN Overlap>> 1.N21 1.N21 C Shift Assignments>> C :: 178.421 CA :: 58.995 CB :: 28.8562 CG :: 35.7612 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.382 HA :: 4.224 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 2.528 HG3 :: 2.528 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.536 Ave N Shift Values>> N :: 120.68(3.68) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.26 K 0.16 Q 0.08 M 0.02 C Shift Assignments>> C :: 179.409 CA :: 58.992 CB :: 28.7802 CG :: 35.9942 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.062 HA :: 4.278 HB2 :: 2.273 HB3 :: 2.318 HG2 :: 2.534 HG3 :: 2.534 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.461 Ave N Shift Values>> N :: 120.68(3.68) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 177.156 CA :: 64.388 CB :: 37.2312 CG1 :: 28.4612 CG2 :: 18.1062 CD1 :: 13.1064 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.054 HA :: 3.993 HB :: 2.207 HG12 :: 1.944 HG13 :: 1.27 HG21 :: 1.168 HG22 :: 1.168 HG23 :: 1.168 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.731 Ave N Shift Values>> N :: 121.6(4.72) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.13 G 0.1 L 0.01 C Shift Assignments>> C :: 178.897 CA :: 60.034 CB :: 29.6062 CG :: 27.7042 CD :: 43.0032 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.447 HA :: 4.139 HB2 :: 2.194 HB3 :: 2.126 HG2 :: 1.772 HG3 :: 1.675 HD2 :: 3.317 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.055 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 K 0.22 Q 0.15 I 0.14 M 0.03 R 0.01 C Shift Assignments>> C :: 178.147 CA :: 58.506 CB :: 28.9792 CG :: 35.5282 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.265 HA :: 4.235 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.547 HG3 :: 2.547 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.339 Ave N Shift Values>> N :: 120.68(3.68) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 179.269 CA :: 54.356 CB :: 17.9812 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.894 HA :: 4.365 HB1 :: 1.747 HB2 :: 1.747 HB3 :: 1.747 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.961 Ave N Shift Values>> N :: 123.23(3.7) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.325 CA :: 60.594 CB :: 39.3562 CD1 :: 131.3556 CD2 :: 131.3556 CE1 :: 130.9726 CE2 :: 130.9726 CZ :: 129.6336 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.139 HA :: 4.161 HB2 :: 3.098 HB3 :: 3.098 HD1 :: 7.09 HD2 :: 7.09 HE1 :: 7.13 HE2 :: 7.13 HZ :: 7.255 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.578 Ave N Shift Values>> N :: 120.69(4.18) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.13 G 0.11 L 0.03 C Shift Assignments>> C :: 178.536 CA :: 58.871 CB :: 29.7192 CG :: 27.0282 CD :: 43.2952 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.24 HA :: 4.116 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 1.907 HG3 :: 2.033 HD2 :: 3.38 HD3 :: 3.38 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.594 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.846 CA :: 64.871 CB :: 31.1422 CG1 :: 21.4062 CG2 :: 20.2782 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.58 HA :: 3.733 HB :: 2.054 HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 HG21 :: 0.62 HG22 :: 0.62 HG23 :: 0.62 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.492 Ave N Shift Values>> N :: 121.02(4.96) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.774 CA :: 59.121 CB :: 39.2462 CD1 :: 131.2526 CD2 :: 131.2526 CE1 :: 130.9206 CE2 :: 130.9206 CZ :: 129.1606 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.42 HA :: 4.545 HB2 :: 3.452 HB3 :: 2.777 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 7.386 HE2 :: 7.386 HZ :: 7.262 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.041 Ave N Shift Values>> N :: 120.69(4.18) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.27 Y 0.05 L 0.05 F 0.05 C Shift Assignments>> C :: 175.546 CA :: 51.871 CB :: 39.4002 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.877 HA :: 5.526 HB2 :: 3.126 HB3 :: 2.37 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.836 Ave N Shift Values>> N :: 120.73(4.2) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.38 M 0.02 C Shift Assignments>> CA :: 58.554 CB :: 31.6632 CG :: 24.6212 CD :: 28.3702 CE :: 41.7822 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.125 HA :: 4.22 HB2 :: 2.053 HB3 :: 2.053 HG2 :: 1.661 HG3 :: 1.661 HD2 :: 1.873 HD3 :: 1.876 HE2 :: 3.188 HE3 :: 3.188 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.134 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.26 I 0.21 N 0.21 F 0.18 D 0.09 L 0.02 E 0.01 C Shift Assignments>> CB :: 39.1212 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.785 HB2 :: 3.112 HB3 :: 2.901 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.039 HA2 :: 4.023 HA3 :: 4.075 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.379 Ave N Shift Values>> N :: 109.91(4.29) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.15 F 0.07 Y 0.06 K 0.05 R 0.01 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> CA :: 52.99 CB :: 40.6212 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.335 HA :: 4.77 HB2 :: 3.13 HB3 :: 2.694 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.461 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> CA :: 45.2232 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.384 HA3 :: 3.69 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 55.996 CB :: 41.1202 CD1 :: 132.7306 CD2 :: 132.7306 CE1 :: 118.1056 CE2 :: 118.1056 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.928 HA :: 5.765 HB2 :: 2.968 HB3 :: 2.968 HD1 :: 7.021 HD2 :: 7.021 HE1 :: 7.092 HE2 :: 7.092 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.586 Ave N Shift Values>> N :: 120.79(4.69) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 174.251 CA :: 58.996 CB :: 41.1062 CG1 :: 24.1212 CG2 :: 16.9962 CD1 :: 13.1994 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.198 HA :: 5.107 HB :: 2.185 HG12 :: 1.415 HG13 :: 0.983 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.392 HD12 :: 0.392 HD13 :: 0.392 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.096 Ave N Shift Values>> N :: 121.6(4.72) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.613 CA :: 57.246 CB :: 64.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.031 HA :: 4.984 HB2 :: 4.435 HB3 :: 4.21 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.843 Ave N Shift Values>> N :: 116.3(3.95) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.03 C Shift Assignments>> C :: 178.713 CA :: 54.871 CB :: 17.6212 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.727 HA :: 3.96 HB1 :: 1.509 HB2 :: 1.509 HB3 :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.211 Ave N Shift Values>> N :: 123.23(3.7) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 179.916 CA :: 54.371 CB :: 17.7992 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.196 HA :: 4.152 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.767 Ave N Shift Values>> N :: 123.23(3.7) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.2 L 0.13 N 0.08 K 0.05 I 0.03 C Shift Assignments>> C :: 177.745 CA :: 56.196 CB :: 39.9962 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.749 HA :: 4.454 HB2 :: 2.859 HB3 :: 2.295 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.477 Ave N Shift Values>> N :: 120.73(4.2) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.305 CA :: 57.496 CB :: 41.1212 CG :: 26.3812 CD1 :: 24.8712 CD2 :: 23.8712 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.081 HA :: 3.841 HB2 :: 1.866 HB3 :: 1.554 HG :: 1.612 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.898 Ave N Shift Values>> N :: 121.98(4.07) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.17 G 0.06 L 0.03 C Shift Assignments>> C :: 178.094 CA :: 59.496 CB :: 29.3792 CG :: 27.4292 CD :: 42.7222 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.077 HA :: 3.834 HB2 :: 1.907 HB3 :: 1.84 HG2 :: 1.627 HG3 :: 1.627 HD2 :: 3.23 HD3 :: 3.356 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.251 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.447 CA :: 57.966 CB :: 29.4962 CD2 :: 119.7306 CE1 :: 137.7306 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.363 HA :: 4.529 HB2 :: 3.118 HB3 :: 3.316 HD2 :: 7.273 HE1 :: 8.179 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.78 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.935 CA :: 65.996 CB :: 31.4022 CG1 :: 22.7312 CG2 :: 20.8712 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.908 HA :: 3.697 HB :: 2.186 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.913 Ave N Shift Values>> N :: 121.02(4.96) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 A 0.07 C Shift Assignments>> C :: 178.631 CA :: 57.371 CB :: 31.1802 CG :: 32.3712 CE :: 16.9962 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.209 HA :: 4.439 HB2 :: 2.32 HB3 :: 2.202 HG2 :: 2.819 HG3 :: 2.819 HE1 :: 2.253 HE2 :: 2.253 HE3 :: 2.253 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.845 Ave N Shift Values>> N :: 120.1(3.88) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.599 CA :: 64.996 CB :: 68.621 CG2 :: 21.3712 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.066 HA :: 4.352 HB :: 4.536 HG21 :: 1.482 HG22 :: 1.482 HG23 :: 1.482 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.151 Ave N Shift Values>> N :: 115.7(5.05) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.18 D 0.17 F 0.13 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 176.224 CA :: 54.584 CB :: 38.3712 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.06 HA :: 4.833 HB2 :: 3.087 HB3 :: 3.087 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.077 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 A 0.07 R 0.05 G 0.02 HN Overlap>> 1.D64 1.Q67 1.D64 1.Q67 C Shift Assignments>> C :: 177.434 CA :: 55.095 CB :: 42.2312 CG :: 26.0002 CD1 :: 25.6632 CD2 :: 22.6012 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.871 HA :: 4.559 HB2 :: 2.042 HB3 :: 1.897 HG :: 2.05 HD11 :: 1.122 HD12 :: 1.122 HD13 :: 1.122 HD21 :: 1.051 HD22 :: 1.051 HD23 :: 1.051 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.836 Ave N Shift Values>> N :: 121.98(4.07) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.549 CA :: 45.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18 HA2 :: 4.238 HA3 :: 4.048 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.211 Ave N Shift Values>> N :: 109.91(4.29) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Q 0.23 K 0.22 M 0.13 I 0.02 R 0.01 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 175.827 CA :: 55.617 CB :: 29.7462 CG :: 35.2952 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.999 HA :: 4.532 HB2 :: 2.184 HB3 :: 1.984 HG2 :: 2.357 HG3 :: 2.409 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.701 Ave N Shift Values>> N :: 120.68(3.68) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.36 M 0.05 C Shift Assignments>> C :: 175.693 CA :: 55.642 CB :: 31.6212 CG :: 24.1902 CD :: 28.5392 CE :: 41.7222 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.529 HA :: 4.495 HB2 :: 1.92 HB3 :: 2 HG2 :: 1.598 HG3 :: 1.598 HD2 :: 1.847 HD3 :: 1.847 HE2 :: 3.189 HE3 :: 3.189 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.401 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.31 R 0.06 A 0.04 C Shift Assignments>> C :: 177.638 CA :: 53.621 CB :: 44.1932 CG :: 26.9992 CD1 :: 25.8762 CD2 :: 23.2462 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.962 HA :: 4.869 HB2 :: 1.703 HB3 :: 1.703 HG :: 1.755 HD11 :: 1.012 HD12 :: 1.012 HD13 :: 1.012 HD21 :: 1.006 HD22 :: 1.006 HD23 :: 1.006 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.289 Ave N Shift Values>> N :: 121.98(4.07) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.257 CA :: 60.255 CB :: 70.588 CG2 :: 21.3462 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.011 HA :: 4.651 HB :: 4.864 HG21 :: 1.516 HG22 :: 1.516 HG23 :: 1.516 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.371 Ave N Shift Values>> N :: 115.7(5.05) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.31 D 0.1 I 0.09 L 0.08 K 0.03 N 0.03 E 0.01 C Shift Assignments>> C :: 178.123 CA :: 57.496 CB :: 39.7412 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.821 HA :: 4.398 HB2 :: 2.878 HB3 :: 2.788 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.697 Ave N Shift Values>> N :: 120.73(4.2) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.31 K 0.14 Q 0.06 M 0.01 C Shift Assignments>> C :: 179.034 CA :: 59.371 CB :: 28.7892 CG :: 36.0632 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.676 HA :: 4.283 HB2 :: 2.205 HB3 :: 2.15 HG2 :: 2.512 HG3 :: 2.512 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.001 Ave N Shift Values>> N :: 120.68(3.68) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.28 K 0.06 M 0.05 Q 0.01 C Shift Assignments>> C :: 179.411 CA :: 58.513 CB :: 29.9122 CG :: 37.0172 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.809 HA :: 4.23 HB2 :: 2.514 HB3 :: 2.133 HG2 :: 2.488 HG3 :: 2.488 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.988 Ave N Shift Values>> N :: 120.68(3.68) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.262 CA :: 66.549 CB :: 31.1212 CG1 :: 23.6212 CG2 :: 21.4012 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.345 HA :: 3.761 HB :: 2.353 HG11 :: 1.157 HG12 :: 1.157 HG13 :: 1.157 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.336 Ave N Shift Values>> N :: 121.02(4.96) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 D 0.11 L 0.11 I 0.07 K 0.07 N 0.02 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 178.969 CA :: 57.371 CB :: 40.0962 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.252 HA :: 4.494 HB2 :: 2.94 HB3 :: 2.792 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.211 Ave N Shift Values>> N :: 120.73(4.2) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.22 Q 0.17 I 0.14 M 0.03 R 0.01 C Shift Assignments>> C :: 178.23 CA :: 58.731 CB :: 28.9302 CG :: 35.4002 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.902 HA :: 4.175 HB2 :: 2.27 HB3 :: 2.27 HG2 :: 2.446 HG3 :: 2.544 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.643 Ave N Shift Values>> N :: 120.68(3.68) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 HN Overlap>> 1.A52 1.A52 C Shift Assignments>> C :: 178.439 CA :: 58.898 CB :: 32.9632 CG :: 32.1422 CE :: 17.0342 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.106 HA :: 4.276 HB2 :: 2.457 HB3 :: 2.29 HG2 :: 2.706 HG3 :: 2.941 HE1 :: 2.181 HE2 :: 2.181 HE3 :: 2.181 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.914 Ave N Shift Values>> N :: 120.1(3.88) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 177.264 CA :: 65.246 CB :: 37.1212 CG1 :: 29.0702 CG2 :: 16.9812 CD1 :: 13.1254 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.476 HA :: 3.72 HB :: 2.134 HG12 :: 1.991 HG13 :: 1.171 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.648 Ave N Shift Values>> N :: 121.6(4.72) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.19 G 0.07 L 0.05 C Shift Assignments>> C :: 178.832 CA :: 58.556 CB :: 29.4892 CG :: 27.1602 CD :: 42.9702 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.882 HA :: 4.224 HB2 :: 2.096 HB3 :: 2.096 HG2 :: 1.949 HG3 :: 1.819 HD2 :: 3.392 HD3 :: 3.392 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.955 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.22 Q 0.15 I 0.09 M 0.05 R 0.01 C Shift Assignments>> C :: 177.448 CA :: 57.54 CB :: 29.2312 CG :: 35.6842 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.969 HA :: 4.229 HB2 :: 2.239 HB3 :: 2.239 HG2 :: 2.588 HG3 :: 2.441 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.398 Ave N Shift Values>> N :: 120.68(3.68) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 HN Overlap>> 1.M48 1.M48 C Shift Assignments>> C :: 177.766 CA :: 52.614 CB :: 19.3712 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.085 HA :: 4.47 HB1 :: 1.666 HB2 :: 1.666 HB3 :: 1.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.836 Ave N Shift Values>> N :: 123.23(3.7) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.23 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 177.147 CA :: 51.996 CB :: 38.9962 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.251 HA :: 5.264 HB2 :: 3.183 HB3 :: 2.396 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.165 Ave N Shift Values>> N :: 120.73(4.2) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.587 CA :: 63.121 CB :: 37.7492 CG1 :: 27.2012 CG2 :: 17.3022 CD1 :: 12.6862 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.562 HA :: 4.169 HB :: 2.141 HG12 :: 1.688 HG13 :: 1.469 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 HD11 :: 1.092 HD12 :: 1.092 HD13 :: 1.092 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.711 Ave N Shift Values>> N :: 121.6(4.72) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.46 D 0.32 L 0.07 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 177.624 CA :: 52.336 CB :: 39.7432 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.254 HA :: 4.771 HB2 :: 3.174 HB3 :: 2.802 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.389 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.919 HA2 :: 4.723 HA3 :: 4.723 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.191 Ave N Shift Values>> N :: 109.91(4.29) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.63 D 0.19 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> CA :: 52.02 CB :: 38.6982 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 5.022 HB2 :: 2.926 HB3 :: 3.461 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> CA :: 45.233 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.245 HA2 :: 3.71 HA3 :: 4.434 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 K 0.27 Q 0.25 R 0.07 E 0.03 C Shift Assignments>> CA :: 53.746 CB :: 30.3412 CG :: 32.4972 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.538 HA :: 5.192 HB2 :: 2.204 HB3 :: 2.131 HG2 :: 2.128 HG3 :: 2.293 HE21 :: 6.608 HE22 :: 7.262 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.836 NE2 :: 109.836 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.867 CA :: 60.47 CB :: 34.3502 CG1 :: 21.3712 CG2 :: 20.3712 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.774 HA :: 4.756 HB :: 2.156 HG11 :: 1.158 HG12 :: 1.158 HG13 :: 1.158 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.274 Ave N Shift Values>> N :: 121.02(4.96) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.25 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 175.636 CA :: 51.371 CB :: 39.2462 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.144 HA :: 5.02 HB2 :: 2.826 HB3 :: 2.731 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.809 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.842 CA :: 60.675 CB :: 37.4812 CD1 :: 132.3706 CD2 :: 132.3706 CE1 :: 117.2456 CE2 :: 117.2456 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.393 HA :: 3.655 HB2 :: 2.608 HB3 :: 2.608 HD1 :: 6.566 HD2 :: 6.566 HE1 :: 6.806 HE2 :: 6.806 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.592 Ave N Shift Values>> N :: 120.79(4.69) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 I 0.31 K 0.17 Q 0.09 R 0.01 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 176.523 CA :: 59.371 CB :: 28.1132 CG :: 35.7872 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.217 HA :: 3.938 HB2 :: 2.096 HB3 :: 2.096 HG2 :: 2.422 HG3 :: 2.422 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.211 Ave N Shift Values>> N :: 120.68(3.68) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.17 L 0.13 K 0.06 N 0.06 I 0.04 HN Overlap>> 1.L36 1.L36 1.Q67 1.Q67 C Shift Assignments>> C :: 178.618 CA :: 56.559 CB :: 40.0572 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.862 HA :: 4.559 HB2 :: 3.073 HB3 :: 3.024 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 120.73(4.2) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.545 CA :: 60.573 CB :: 38.9722 CD1 :: 130.9806 CD2 :: 130.9806 CE1 :: 130.9806 CE2 :: 130.9806 CZ :: 129.7096 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.992 HA :: 4.317 HB2 :: 3.261 HB3 :: 3.12 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 7.467 HE2 :: 7.467 HZ :: 7.353 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.319 Ave N Shift Values>> N :: 120.69(4.18) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I49 1.I49 C Shift Assignments>> C :: 178.695 CA :: 66.224 CB :: 30.8132 CG1 :: 22.3382 CG2 :: 20.7882 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.529 HA :: 3.401 HB :: 2.028 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.615 Ave N Shift Values>> N :: 121.02(4.96) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.32 R 0.19 E 0.07 M 0.03 I 0.02 HN Overlap>> 1.L36 1.D64 1.L36 1.D64 C Shift Assignments>> C :: 177.997 CA :: 58.371 CB :: 27.7462 CG :: 33.3382 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.847 HA :: 4.094 HB2 :: 2.31 HB3 :: 2.31 HG2 :: 2.583 HG3 :: 2.642 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.84 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 178.009 CA :: 57.746 CB :: 31.6062 CG :: 31.0702 CE :: 16.8902 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.759 HA :: 4.287 HB2 :: 2.261 HB3 :: 2.261 HG2 :: 2.641 HG3 :: 2.803 HE1 :: 2.142 HE2 :: 2.142 HE3 :: 2.142 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.991 Ave N Shift Values>> N :: 120.1(3.88) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 A 0.15 C Shift Assignments>> C :: 177.606 CA :: 56.121 CB :: 32.2462 CG :: 31.9512 CE :: 16.7462 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.9 HA :: 4.398 HB2 :: 2.003 HB3 :: 2.083 HG2 :: 2.227 HG3 :: 2.243 HE1 :: 2.108 HE2 :: 2.108 HE3 :: 2.108 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.96 Ave N Shift Values>> N :: 120.1(3.88) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.343 CA :: 62.062 CB :: 69.496 CG2 :: 20.9192 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.808 HA :: 4.473 HB :: 4.469 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.813 Ave N Shift Values>> N :: 115.7(5.05) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 176.659 CA :: 52.38 CB :: 18.7462 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.685 HA :: 4.525 HB1 :: 1.598 HB2 :: 1.598 HB3 :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.355 Ave N Shift Values>> N :: 123.23(3.7) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 181.283 CA :: 57.065 CB :: 33.1192 CG :: 24.1772 CD :: 28.3982 CE :: 41.9352 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.71 HA :: 4.31 HB2 :: 2.001 HB3 :: 1.883 HG2 :: 1.6 HG3 :: 1.6 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.94 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 72 #Suspicious: 0 C Shift Results: #Consistent: 297 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 468 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 66 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0