Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.685 CA :: 60.772 CB :: 38.925 CG1 :: 27.214 CG2 :: 17.251 CD1 :: 12.734 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>> HA :: 4.205 HB :: 1.816 HG12 :: 1.190 HG13 :: 1.485 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 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) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.17 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 177.819 CA :: 51.692 CB :: 41.481 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 :: 8.486 HA :: 4.898 HB2 :: 2.613 HB3 :: 2.782 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 :: 126.367 Ave N Shift Values>> N :: 120.73(4.2) 1.P4 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 :: 177.144 CA :: 63.561 CB :: 31.811 CG :: 26.741 CD :: 50.638 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.286 HB2 :: 1.527 HB3 :: 2.137 HG2 :: 1.667 HG3 :: 1.882 HD2 :: 3.768 HD3 :: 3.907 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.33 C 0.3 C Shift Assignments>> C :: 176.135 CA :: 57.732 CB :: 38.452 CD1 :: 131.624 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 :: 8.205 HA :: 4.548 HB2 :: 3.034 HB3 :: 3.190 HD1 :: 7.263 HE1 :: 7.384 HE2 :: 7.384 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 :: 117.699 Ave N Shift Values>> N :: 120.69(4.18) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.332 CA :: 62.886 CB :: 69.440 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 :: 7.604 HA :: 4.138 HB :: 4.207 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 113.021 Ave N Shift Values>> N :: 115.7(5.05) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 Q 0.12 K 0.06 E 0.02 R 0.01 C Shift Assignments>> C :: 175.722 CA :: 55.677 CB :: 32.429 CG :: 31.924 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 :: 8.032 HA :: 4.439 HB2 :: 1.994 HB3 :: 2.086 HG2 :: 2.509 HG3 :: 2.619 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 :: 120.717 Ave N Shift Values>> N :: 120.1(3.88) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.4 A 0.09 C Shift Assignments>> C :: 173.353 CA :: 54.174 CB :: 39.980 CG :: 26.242 CD1 :: 22.710 CD2 :: 25.238 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 :: 7.843 HA :: 4.649 HB2 :: 1.396 HB3 :: 1.396 HG :: 1.272 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.379 HD22 :: 0.379 HD23 :: 0.379 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 :: 123.651 Ave N Shift Values>> N :: 121.98(4.07) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.28 K 0.26 G 0.09 C Shift Assignments>> CA :: 52.681 CB :: 32.348 CG :: 28.784 CD :: 43.015 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 :: 7.044 HA :: 5.041 HB2 :: 1.612 HB3 :: 1.980 HG2 :: 1.780 HG3 :: 1.891 HD2 :: 3.193 HD3 :: 3.510 HE :: 7.423 HH11 :: 6.342 HH12 :: 6.342 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 :: 113.296 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.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 173.123 CA :: 62.159 CB :: 31.850 CD :: 50.112 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.858 HB2 :: 1.584 HB3 :: 1.728 HD2 :: 3.614 HD3 :: 3.664 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.34 R 0.16 G 0.05 C Shift Assignments>> C :: 173.850 CA :: 54.688 CB :: 33.249 CG :: 29.687 CD :: 42.989 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 :: 8.469 HA :: 4.387 HB2 :: 1.138 HB3 :: 1.716 HG2 :: 1.326 HG3 :: 1.792 HD2 :: 2.894 HD3 :: 3.266 HH11 :: 6.708 HH12 :: 6.708 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 :: 116.662 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.2 G 0.15 R 0.09 A 0.04 C Shift Assignments>> C :: 173.866 CA :: 53.162 CB :: 43.495 CG :: 27.269 CD1 :: 23.227 CD2 :: 25.712 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 :: 8.732 HA :: 5.067 HB2 :: 1.985 HB3 :: 1.170 HG :: 1.268 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 124.511 Ave N Shift Values>> N :: 121.98(4.07) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.15 R 0.14 C 0.13 E 0.12 H 0.12 I 0.07 L 0.04 M 0.02 C Shift Assignments>> C :: 173.818 CA :: 57.856 CB :: 28.441 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.421 HA :: 4.757 HB2 :: 2.439 HB3 :: 2.940 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.358 Ave N Shift Values>> N :: 119.95(4.79) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.401 CA :: 61.299 CB :: 69.391 CG2 :: 21.159 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 :: 8.924 HA :: 4.963 HB :: 4.069 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 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 :: 122.729 Ave N Shift Values>> N :: 115.7(5.05) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 C 0.4 M 0.05 I 0.01 HN Overlap>> 1.H70 1.H70 C Shift Assignments>> C :: 173.308 CA :: 54.203 CB :: 38.926 CG :: 32.319 CE :: 18.159 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 :: 8.879 HA :: 4.932 HB2 :: 1.900 HB3 :: 2.073 HG2 :: 2.283 HG3 :: 2.281 HE1 :: 1.647 HE2 :: 1.647 HE3 :: 1.647 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 :: 121.742 Ave N Shift Values>> N :: 120.1(3.88) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 M 0.03 C Shift Assignments>> C :: 175.984 CA :: 54.174 CB :: 34.592 CG :: 24.750 CD :: 29.302 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 :: 8.522 HA :: 5.272 HB2 :: 1.737 HB3 :: 1.893 HG2 :: 1.502 HG3 :: 1.501 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 3.061 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 :: 122.097 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.1 M 0.02 C Shift Assignments>> C :: 177.242 CA :: 58.254 CB :: 33.347 CG :: 24.715 CD :: 29.350 CE :: 41.488 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 :: 8.488 HA :: 3.230 HB2 :: 1.329 HB3 :: 1.448 HG2 :: 0.605 HG3 :: 0.604 HD2 :: 1.330 HD3 :: 1.415 HE2 :: 2.730 HE3 :: 2.831 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 :: 123.168 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.036 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.179 HA2 :: 3.968 HA3 :: 4.592 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.195 Ave N Shift Values>> N :: 109.91(4.29) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 177.891 CA :: 64.858 CB :: 31.880 CD :: 49.585 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.318 HB3 :: 2.403 HG2 :: 2.093 HG3 :: 2.162 HD2 :: 3.677 HD3 :: 3.784 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.833 CA :: 56.654 CB :: 64.397 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.401 HB2 :: 3.910 HB3 :: 3.910 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 :: 111.161 Ave N Shift Values>> N :: 116.3(3.95) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.030 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.725 HA2 :: 3.272 HA3 :: 4.482 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.388 Ave N Shift Values>> N :: 109.91(4.29) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 60.802 CB :: 40.940 CD1 :: 132.349 CE1 :: 118.006 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>> HA :: 4.378 HB2 :: 2.540 HB3 :: 3.362 HD1 :: 6.857 HD2 :: 6.857 HE1 :: 6.637 HE2 :: 6.637 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) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.059 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.539 HA2 :: 3.908 HA3 :: 4.542 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.617 Ave N Shift Values>> N :: 109.91(4.29) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.32 C 0.22 G 0.03 C Shift Assignments>> C :: 171.736 CA :: 54.458 CB :: 42.490 CD1 :: 131.933 CE1 :: 130.902 CZ :: 129.186 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 :: 6.795 HA :: 5.625 HB2 :: 2.592 HB3 :: 3.144 HD1 :: 6.784 HD2 :: 6.784 HE1 :: 6.890 HE2 :: 6.890 HZ :: 6.929 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 :: 110.980 Ave N Shift Values>> N :: 120.69(4.18) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.13 K 0.06 F 0.03 R 0.03 Y 0.03 C Shift Assignments>> CA :: 51.629 CB :: 41.517 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 :: 8.115 HA :: 5.143 HB2 :: 2.731 HB3 :: 2.785 HD21 :: 7.061 HD22 :: 7.305 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 :: 117.806 ND2 :: 114.187 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.36 C 0.15 R 0.08 K 0.01 C Shift Assignments>> CA :: 54.224 CB :: 44.552 CD2 :: 24.704 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 :: 9.246 HA :: 5.326 HB2 :: 1.791 HB3 :: 1.931 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 124.397 Ave N Shift Values>> N :: 121.98(4.07) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 H 0.21 F 0.01 HN Overlap>> 1.V88 1.V88 C Shift Assignments>> CA :: 56.226 CB :: 33.920 CE1 :: 138.822 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 :: 9.390 HA :: 4.921 HB2 :: 3.161 HB3 :: 3.161 HD2 :: 6.831 HE1 :: 7.760 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 :: 120.489 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.01 C Shift Assignments>> CB :: 64.357 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.699 HB2 :: 3.821 HB3 :: 3.915 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) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 G 0.14 D 0.13 C 0.12 K 0.03 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 53.180 CB :: 43.533 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 :: 9.114 HA :: 4.665 HB2 :: 2.387 HB3 :: 2.837 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 :: 123.268 Ave N Shift Values>> N :: 120.73(4.2) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.16 M 0.16 K 0.15 C 0.15 P 0.14 R 0.06 H 0.05 E 0.04 Q 0.03 C Shift Assignments>> C :: 177.314 CB :: 32.325 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>> HA :: 4.141 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.499 HG3 :: 1.499 HE2 :: 3.008 HE3 :: 3.032 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) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.937 CA :: 59.390 CB :: 64.358 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.804 HA :: 4.437 HB2 :: 3.903 HB3 :: 3.903 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 :: 114.719 Ave N Shift Values>> N :: 116.3(3.95) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.32 M 0.15 A 0.02 R 0.02 Q 0.01 V 0.01 C Shift Assignments>> CA :: 53.655 CB :: 33.382 CG :: 23.720 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 :: 7.809 HA :: 4.844 HB2 :: 1.712 HB3 :: 1.885 HG2 :: 1.385 HG3 :: 1.385 HD2 :: 1.576 HE2 :: 2.740 HE3 :: 2.740 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 :: 122.235 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.145 CA :: 62.828 CB :: 31.836 CD :: 50.518 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.606 HB2 :: 1.968 HB3 :: 2.324 HG2 :: 2.119 HD2 :: 3.762 HD3 :: 3.838 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.021 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.298 HA2 :: 3.606 HA3 :: 4.203 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.489 Ave N Shift Values>> N :: 109.91(4.29) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 K 0.21 M 0.12 E 0.09 R 0.03 HN Overlap>> 1.E92 1.E92 C Shift Assignments>> C :: 173.805 CA :: 54.366 CB :: 29.769 CG :: 33.858 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 :: 8.672 HA :: 4.808 HB2 :: 1.886 HB3 :: 1.886 HG2 :: 2.071 HG3 :: 2.241 HE21 :: 6.811 HE22 :: 7.363 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 :: 119.258 NE2 :: 112.495 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 C 0.29 F 0.28 G 0.07 C Shift Assignments>> C :: 175.722 CA :: 55.706 CB :: 42.968 CD1 :: 132.317 CE1 :: 131.638 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 :: 8.769 HA :: 5.426 HB2 :: 2.761 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 7.368 HE2 :: 7.368 HZ :: 7.251 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 :: 120.723 Ave N Shift Values>> N :: 120.69(4.18) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.13 A 0.03 C Shift Assignments>> C :: 176.701 CA :: 58.282 CB :: 35.289 CG1 :: 26.765 CG2 :: 19.264 CD1 :: 10.450 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 :: 9.176 HA :: 4.359 HB :: 2.404 HG12 :: 1.106 HG13 :: 1.537 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 HD11 :: 0.339 HD12 :: 0.339 HD13 :: 0.339 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 :: 120.474 Ave N Shift Values>> N :: 121.6(4.72) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 K 0.13 G 0.04 C Shift Assignments>> C :: 175.850 CA :: 57.733 CB :: 30.858 CG :: 26.755 CD :: 43.038 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 :: 9.447 HA :: 4.080 HB2 :: 1.311 HB3 :: 1.548 HG2 :: 1.361 HG3 :: 1.472 HD2 :: 2.978 HD3 :: 3.075 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 :: 132.094 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.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.324 CA :: 56.734 CB :: 64.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.514 HA :: 4.568 HB2 :: 3.861 HB3 :: 3.861 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 :: 108.454 Ave N Shift Values>> N :: 116.3(3.95) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 175.706 CA :: 60.746 CB :: 34.416 CG1 :: 21.184 CG2 :: 21.077 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 :: 8.568 HA :: 4.634 HB :: 1.848 HG11 :: 0.639 HG12 :: 0.639 HG13 :: 0.639 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 119.783 Ave N Shift Values>> N :: 121.02(4.96) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.25 C 0.13 Y 0.06 F 0.06 L 0.06 C Shift Assignments>> C :: 174.810 CA :: 52.895 CB :: 39.436 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 :: 9.336 HA :: 4.851 HB2 :: 2.464 HB3 :: 2.719 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 :: 129.471 Ave N Shift Values>> N :: 120.73(4.2) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.979 CA :: 62.844 CB :: 31.826 CD :: 50.637 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.550 HB2 :: 1.895 HB3 :: 2.384 HG2 :: 2.141 HD2 :: 4.004 HD3 :: 3.711 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Y 0.19 F 0.17 D 0.15 N 0.14 L 0.05 I 0.02 E 0.02 C Shift Assignments>> C :: 174.499 CA :: 55.669 CB :: 39.036 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 :: 9.236 HA :: 4.382 HB2 :: 2.783 HB3 :: 2.990 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 :: 118.522 Ave N Shift Values>> N :: 120.73(4.2) 1.S44 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>> CA :: 56.224 CB :: 65.360 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.343 HA :: 4.978 HB2 :: 3.813 HB3 :: 3.813 HG :: 6.634 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 :: 111.544 Ave N Shift Values>> N :: 116.3(3.95) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 180.232 CA :: 65.364 CB :: 32.850 CG :: 28.757 CD :: 50.656 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.533 HB2 :: 2.314 HB3 :: 2.927 HG2 :: 2.249 HG3 :: 2.531 HD2 :: 3.857 HD3 :: 4.045 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.42 C 0.04 L 0.02 V 0.01 I 0.01 C Shift Assignments>> CA :: 54.695 CB :: 19.635 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.407 HA :: 4.398 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.274 Ave N Shift Values>> N :: 123.23(3.7) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 E 0.15 I 0.14 R 0.12 H 0.1 Q 0.09 K 0.09 V 0.06 M 0.03 P 0.01 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 180.449 CA :: 59.763 CB :: 29.807 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 :: 8.216 HA :: 3.896 HB2 :: 2.256 HB3 :: 2.346 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 :: 122.327 Ave N Shift Values>> N :: 120.68(3.68) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 179.021 CA :: 54.225 CB :: 17.937 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.319 HA :: 4.248 HB1 :: 1.620 HB2 :: 1.620 HB3 :: 1.620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.340 Ave N Shift Values>> N :: 123.23(3.7) 1.S49 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 :: 174.956 CA :: 59.791 CB :: 64.836 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.927 HA :: 4.566 HB2 :: 4.006 HB3 :: 4.068 HG :: 5.023 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 :: 111.945 Ave N Shift Values>> N :: 116.3(3.95) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.891 CA :: 45.042 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.599 HA2 :: 3.744 HA3 :: 4.438 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.785 Ave N Shift Values>> N :: 109.91(4.29) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 G 0.13 R 0.11 C Shift Assignments>> C :: 175.306 CA :: 55.199 CB :: 43.575 CG :: 26.220 CD1 :: 26.706 CD2 :: 25.348 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 :: 7.253 HA :: 3.969 HB2 :: 1.218 HB3 :: 1.386 HG :: 1.480 HD11 :: 0.366 HD12 :: 0.366 HD13 :: 0.366 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 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 :: 123.942 Ave N Shift Values>> N :: 121.98(4.07) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.27 R 0.18 K 0.04 C Shift Assignments>> C :: 175.466 CA :: 54.144 CB :: 33.891 CG :: 26.746 CD :: 44.025 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 :: 8.773 HA :: 4.640 HB2 :: 1.772 HG2 :: 1.534 HG3 :: 1.629 HD2 :: 3.110 HD3 :: 3.272 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 :: 123.702 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.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 179.150 CA :: 53.540 CB :: 17.871 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.660 HA :: 3.707 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.181 Ave N Shift Values>> N :: 123.23(3.7) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.22 Q 0.16 R 0.06 E 0.05 I 0.05 M 0.01 C Shift Assignments>> C :: 175.254 CA :: 58.250 CB :: 26.263 CG :: 34.391 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 :: 9.434 HA :: 3.995 HB2 :: 2.507 HB3 :: 2.613 HG2 :: 2.394 HG3 :: 2.395 HE21 :: 6.807 HE22 :: 7.528 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 :: 115.495 NE2 :: 111.640 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 D 0.19 K 0.18 C 0.11 F 0.1 Y 0.08 R 0.06 N 0.03 C Shift Assignments>> C :: 174.728 CA :: 55.429 CB :: 41.496 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 :: 7.836 HA :: 4.759 HB2 :: 2.096 HB3 :: 2.777 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 :: 120.847 Ave N Shift Values>> N :: 120.73(4.2) 1.R56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 R 0.3 K 0.29 G 0.05 C Shift Assignments>> C :: 176.560 CA :: 54.192 CB :: 32.759 CG :: 28.275 CD :: 43.023 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 :: 8.877 HA :: 4.526 HB2 :: 1.387 HB3 :: 1.594 HG2 :: 0.186(S) HG3 :: 0.955 HD2 :: 2.736 HD3 :: 3.076 HE :: 8.241 HH11 :: 7.291 HH12 :: 7.291 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 :: 121.216 NE :: 116.836 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.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 174.341 CA :: 62.565 CB :: 38.655 CG1 :: 27.796 CG2 :: 18.001 CD1 :: 14.097 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 :: 8.081 HA :: 3.705 HB :: 1.510 HG12 :: 0.580 HG13 :: 1.388 HG21 :: 0.560 HG22 :: 0.560 HG23 :: 0.560 HD11 :: 0.524 HD12 :: 0.524 HD13 :: 0.524 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 :: 124.388 Ave N Shift Values>> N :: 121.6(4.72) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.843 CA :: 63.323 CB :: 33.329 CG1 :: 21.676 CG2 :: 21.652 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 :: 9.206 HA :: 4.088 HB :: 1.616 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 127.256 Ave N Shift Values>> N :: 121.02(4.96) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.16 E 0.03 C Shift Assignments>> C :: 175.956 CA :: 54.211 CB :: 34.865 CG :: 35.366 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 :: 7.734 HA :: 5.214 HB2 :: 1.507 HB3 :: 1.897 HG2 :: 1.922 HG3 :: 2.086 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 :: 115.034 Ave N Shift Values>> N :: 120.68(3.68) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 176.167 CA :: 60.792 CB :: 33.680 CG1 :: 20.673 CG2 :: 20.841 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 :: 8.052 HA :: 4.462 HB :: 1.782 HG11 :: 0.693 HG12 :: 0.693 HG13 :: 0.693 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 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 :: 118.509 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>> C 0.28 N 0.27 E 0.13 Y 0.1 M 0.06 F 0.05 D 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.114 CA :: 54.189 CB :: 36.915 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 :: 9.949 HA :: 4.308 HB2 :: 2.911 HB3 :: 3.005 HD21 :: 7.836 HD22 :: 8.168 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 :: 128.254 ND2 :: 116.506 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.603 CA :: 45.046 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.132 HA2 :: 3.628 HA3 :: 4.032 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.209 Ave N Shift Values>> N :: 109.91(4.29) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.290 CA :: 61.255 CB :: 32.732 CG1 :: 21.140 CG2 :: 21.105 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 :: 7.801 HA :: 4.110 HB :: 1.995 HG11 :: 0.924 HG12 :: 0.924 HG13 :: 0.924 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 122.062 Ave N Shift Values>> N :: 121.02(4.96) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.2 C 0.13 R 0.08 K 0.03 Q 0.02 E 0.02 H 0.02 L 0.01 C Shift Assignments>> C :: 175.994 CA :: 61.277 CB :: 27.225 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.974 HA :: 4.336 HB2 :: 2.827 HB3 :: 3.249 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.857 Ave N Shift Values>> N :: 119.95(4.79) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 A 0.36 C 0.27 C Shift Assignments>> C :: 176.954 CA :: 54.279 CB :: 32.842 CG :: 32.801 CE :: 19.171 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 :: 9.198 HA :: 4.841 HB2 :: 1.614 HG2 :: 2.468 HG3 :: 2.595 HE1 :: 1.925 HE2 :: 1.925 HE3 :: 1.925 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 :: 126.844 Ave N Shift Values>> N :: 120.1(3.88) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.28 K 0.15 Q 0.13 I 0.07 M 0.03 R 0.01 C Shift Assignments>> C :: 178.091 CA :: 58.222 CB :: 29.251 CG :: 35.385 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 :: 8.253 HA :: 4.276 HB2 :: 2.016 HG2 :: 2.192 HG3 :: 2.273 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 :: 125.721 Ave N Shift Values>> N :: 120.68(3.68) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.370 CA :: 45.509 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.063 HA2 :: 3.789 HA3 :: 4.186 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.236 Ave N Shift Values>> N :: 109.91(4.29) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.33 R 0.16 M 0.05 Q 0.05 C Shift Assignments>> C :: 175.962 CA :: 54.675 CB :: 32.336 CG :: 25.261 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 :: 7.612 HA :: 4.596 HB2 :: 1.935 HB3 :: 2.050 HG2 :: 1.268 HG3 :: 1.486 HD2 :: 1.664 HE2 :: 3.013 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 :: 118.910 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 M 0.2 K 0.16 E 0.09 R 0.01 C Shift Assignments>> C :: 177.009 CA :: 54.350 CB :: 30.361 CG :: 33.830 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 :: 9.047 HA :: 4.553 HB2 :: 2.460 HB3 :: 2.027 HG2 :: 2.499 HG3 :: 2.548 HE21 :: 6.916 HE22 :: 7.644 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 :: 118.521 NE2 :: 113.411 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 H 0.3 HN Overlap>> 1.M15 1.M15 C Shift Assignments>> C :: 177.458 CA :: 61.225 CB :: 30.798 CE1 :: 138.120 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 :: 8.882 HA :: 3.923 HB2 :: 3.151 HB3 :: 3.283 HD2 :: 6.975 HE1 :: 7.655 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 :: 121.793 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.715 CA :: 46.747 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.051 HA2 :: 3.749 HA3 :: 3.954 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.733 Ave N Shift Values>> N :: 109.91(4.29) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 L 0.16 F 0.16 Y 0.13 C 0.13 D 0.12 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 178.689 CA :: 56.731 CB :: 41.181 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 :: 7.368 HA :: 4.494 HB2 :: 2.644 HB3 :: 3.015 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 :: 120.271 Ave N Shift Values>> N :: 120.73(4.2) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.594 CA :: 66.371 CB :: 31.371 CG1 :: 21.609 CG2 :: 22.170 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 :: 7.585 HA :: 3.762 HB :: 2.098 HG11 :: 0.779 HG12 :: 0.779 HG13 :: 0.779 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 122.311 Ave N Shift Values>> N :: 121.02(4.96) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 178.612 CA :: 66.879 CB :: 31.556 CG1 :: 22.188 CG2 :: 21.183 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 :: 8.053 HA :: 3.501 HB :: 1.974 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 118.420 Ave N Shift Values>> N :: 121.02(4.96) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.678 CA :: 61.825 CB :: 62.335 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.145 HA :: 4.155 HB2 :: 3.969 HB3 :: 4.052 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 :: 115.226 Ave N Shift Values>> N :: 116.3(3.95) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.619 CA :: 54.878 CB :: 17.612 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.843 HA :: 4.219 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.873 Ave N Shift Values>> N :: 123.23(3.7) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 181.393 CA :: 64.880 CB :: 38.514 CG1 :: 29.348 CG2 :: 16.597 CD1 :: 14.064 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 :: 8.293 HA :: 3.551 HB :: 2.024 HG12 :: 0.961 HG13 :: 2.001 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 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 :: 118.847 Ave N Shift Values>> N :: 121.6(4.72) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.11 K 0.04 C Shift Assignments>> C :: 178.379 CA :: 59.778 CB :: 29.854 CG :: 27.261 CD :: 43.508 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 :: 8.627 HA :: 4.171 HB2 :: 2.007 HB3 :: 2.047 HG2 :: 1.737 HG3 :: 1.893 HD2 :: 3.244 HD3 :: 3.246 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 :: 123.847 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.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.805 CA :: 54.203 CB :: 18.112 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.217 HA :: 4.243 HB1 :: 1.562 HB2 :: 1.562 HB3 :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.762 Ave N Shift Values>> N :: 123.23(3.7) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.499 CA :: 45.037 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.249 HA2 :: 4.280 HA3 :: 4.301 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.118 Ave N Shift Values>> N :: 109.91(4.29) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.519 CA :: 46.604 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.836 HA2 :: 3.748 HA3 :: 4.246 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.279 Ave N Shift Values>> N :: 109.91(4.29) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 173.802 CA :: 54.678 CB :: 40.996 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 :: 9.065 HA :: 4.641 HB2 :: 2.680 HB3 :: 3.010 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 :: 127.984 Ave N Shift Values>> N :: 120.73(4.2) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.2 E 0.1 HN Overlap>> 1.V102 1.V102 C Shift Assignments>> C :: 175.563 CA :: 54.682 CB :: 33.878 CG :: 36.408 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 :: 7.477 HA :: 5.467 HB2 :: 1.975 HB3 :: 2.084 HG2 :: 2.211 HG3 :: 2.211 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 :: 118.162 Ave N Shift Values>> N :: 120.68(3.68) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 171.049 CA :: 62.603 CB :: 70.417 CG2 :: 18.363 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 :: 8.738 HA :: 4.701 HB :: 3.832 HG1 :: 4.109 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 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 :: 116.153 Ave N Shift Values>> N :: 115.7(5.05) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.18 M 0.02 G 0.02 C Shift Assignments>> C :: 175.219 CA :: 54.683 CB :: 34.615 CG :: 24.710 CD :: 29.315 CE :: 42.494 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 :: 7.845 HA :: 5.123 HB2 :: 1.565 HB3 :: 1.772 HG2 :: 1.447 HG3 :: 1.449 HD2 :: 1.618 HD3 :: 1.618 HE2 :: 2.932 HE3 :: 2.947 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 :: 125.309 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.36 C 0.12 A 0.01 C Shift Assignments>> C :: 175.103 CA :: 52.179 CB :: 44.558 CG :: 26.224 CD1 :: 24.227 CD2 :: 25.534 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 :: 8.911 HA :: 5.138 HB2 :: 0.966 HB3 :: 1.510 HG :: 1.409 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.189 HD22 :: 0.189 HD23 :: 0.189 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 :: 124.354 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.2 G 0.12 R 0.07 C Shift Assignments>> C :: 176.430 CA :: 53.678 CB :: 43.520 CG :: 27.242 CD1 :: 25.209 CD2 :: 24.728 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 :: 8.552 HA :: 5.358 HB2 :: 1.408 HB3 :: 1.680 HG :: 1.150 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 HD21 :: 0.668 HD22 :: 0.668 HD23 :: 0.668 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 :: 127.170 Ave N Shift Values>> N :: 121.98(4.07) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.04 I 0.03 V 0.03 HN Overlap>> 1.H27 1.H27 C Shift Assignments>> C :: 174.853 CA :: 58.228 CB :: 36.891 CG1 :: 21.151 CG2 :: 17.919 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 :: 9.348 HA :: 5.597 HB :: 1.821 HG11 :: 0.544 HG12 :: 0.544 HG13 :: 0.544 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 120.457 Ave N Shift Values>> N :: 121.02(4.96) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.13 A 0.03 V 0.01 C Shift Assignments>> C :: 175.651 CA :: 58.247 CB :: 35.390 CG1 :: 17.614 CG2 :: 23.697 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 :: 8.074 HA :: 4.938 HB :: 2.174 HG11 :: 0.775 HG12 :: 0.775 HG13 :: 0.775 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 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 :: 107.201 Ave N Shift Values>> N :: 121.02(4.96) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.17 L 0.17 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 175.767 CA :: 52.676 CB :: 41.199 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 :: 7.670 HA :: 4.884 HB2 :: 2.660 HB3 :: 3.333 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 :: 121.765 Ave N Shift Values>> N :: 120.73(4.2) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.06 L 0.01 C Shift Assignments>> C :: 179.174 CA :: 60.217 CB :: 29.801 CG :: 26.769 CD :: 43.019 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 :: 9.046 HA :: 4.300 HB2 :: 1.892 HB3 :: 1.997 HG2 :: 1.742 HG3 :: 1.880 HD2 :: 3.011 HD3 :: 3.304 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 :: 120.823 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.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.26 K 0.04 HN Overlap>> 1.Q35 1.Q35 C Shift Assignments>> C :: 180.178 CA :: 59.802 CB :: 28.812 CG :: 36.925 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 :: 8.755 HA :: 4.054 HB2 :: 1.980 HB3 :: 2.115 HG2 :: 2.328 HG3 :: 2.405 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 :: 119.241 Ave N Shift Values>> N :: 120.68(3.68) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.E107 1.E107 C Shift Assignments>> C :: 175.690 CA :: 67.875 CB :: 67.886 CG2 :: 22.150 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 :: 8.493 HA :: 3.996 HB :: 4.098 HG1 :: 6.101 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 120.017 Ave N Shift Values>> N :: 115.7(5.05) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.14 C 0.12 Y 0.11 D 0.11 R 0.07 I 0.01 N 0.01 C Shift Assignments>> C :: 179.020 CA :: 56.769 CB :: 41.453 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 :: 8.904 HA :: 4.495 HB2 :: 2.922 HB3 :: 3.084 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 :: 123.206 Ave N Shift Values>> N :: 120.73(4.2) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.134 CA :: 59.252 CB :: 29.297 CG :: 36.406 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 :: 8.339 HA :: 3.981 HB2 :: 2.178 HB3 :: 2.149 HG2 :: 2.435 HG3 :: 2.520 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 :: 116.047 Ave N Shift Values>> N :: 120.68(3.68) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.3 C 0.24 HN Overlap>> 1.F117 1.F117 C Shift Assignments>> C :: 177.585 CA :: 61.284 CB :: 39.452 CD1 :: 131.912 CE1 :: 130.608 CZ :: 132.056 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 :: 8.005 HA :: 4.333 HB2 :: 3.352 HB3 :: 3.349 HD1 :: 6.946 HD2 :: 6.946 HE1 :: 6.724 HE2 :: 6.724 HZ :: 7.205 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 :: 121.485 Ave N Shift Values>> N :: 120.69(4.18) 1.F97 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.32 C 0.26 C Shift Assignments>> C :: 179.035 CA :: 64.348 CB :: 36.791 CD1 :: 131.353 CE1 :: 131.018 CZ :: 128.806 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 :: 8.811 HA :: 3.391 HB2 :: 3.062 HB3 :: 3.584 HD1 :: 7.369 HD2 :: 7.369 HE1 :: 6.624 HE2 :: 6.624 HZ :: 6.946 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 :: 120.123 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.25 R 0.22 P 0.05 V 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 181.427 CA :: 59.762 CB :: 31.882 CG :: 25.745 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 :: 8.406 HA :: 4.168 HB2 :: 1.879 HB3 :: 1.976 HG2 :: 1.409 HG3 :: 1.682 HE2 :: 2.933 HE3 :: 2.933 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 :: 119.315 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.48 M 0.02 C Shift Assignments>> C :: 179.115 CA :: 59.017 CB :: 32.310 CG :: 25.244 CD :: 29.298 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 :: 7.948 HA :: 4.111 HB2 :: 1.966 HB3 :: 2.051 HG2 :: 1.523 HG3 :: 1.690 HD2 :: 1.721 HE2 :: 2.991 HE3 :: 3.131 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 :: 121.228 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.16 R 0.16 P 0.07 Q 0.05 K 0.04 L 0.04 H 0.03 E 0.03 C Shift Assignments>> C :: 173.369 CA :: 60.261 CB :: 26.773 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.352 HA :: 4.083 HB2 :: 2.395 HB3 :: 2.594 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.087 Ave N Shift Values>> N :: 119.95(4.79) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 L 0.29 R 0.22 G 0.1 K 0.05 C Shift Assignments>> C :: 174.954 CA :: 56.709 CB :: 27.254 CG :: 27.283 CD :: 43.533 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 :: 7.877 HA :: 3.843 HB2 :: 1.889 HB3 :: 2.153 HG2 :: 1.444 HG3 :: 1.559 HD2 :: 2.836 HD3 :: 2.992 HE :: 7.309 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 :: 115.628 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.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.29 HN Overlap>> 1.E83 1.E83 C Shift Assignments>> C :: 175.610 CA :: 60.275 CB :: 36.699 CG1 :: 21.736 CG2 :: 21.652 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 :: 7.485 HA :: 4.324 HB :: 1.559 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 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 :: 118.193 Ave N Shift Values>> N :: 121.02(4.96) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.44 A 0.01 C Shift Assignments>> C :: 174.138 CA :: 57.741 CB :: 38.341 CG1 :: 27.715 CG2 :: 16.144 CD1 :: 12.020 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 :: 8.550 HA :: 4.310 HB :: 1.811 HG12 :: 1.211 HG13 :: 1.571 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 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 :: 129.396 Ave N Shift Values>> N :: 121.6(4.72) 1.P104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.077 CA :: 62.321 CB :: 30.754 CD :: 50.116 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.058 HB2 :: 0.563(S) HB3 :: 1.125 HG2 :: 1.243 HG3 :: 1.734 HD2 :: 3.547 HD3 :: 3.810 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> C :: 175.738 CA :: 56.233 CB :: 66.849 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.748(S) HA :: 4.544 HB2 :: 3.669 HB3 :: 4.171 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 :: 120.278 Ave N Shift Values>> N :: 116.3(3.95) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.17 E 0.17 Q 0.17 I 0.09 R 0.03 C Shift Assignments>> C :: 178.623 CA :: 58.762 CB :: 27.756 CG :: 34.884 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 :: 8.908 HA :: 3.784 HB2 :: 2.113 HB3 :: 2.189 HG2 :: 2.255 HG3 :: 2.538 HE21 :: 6.661 HE22 :: 8.135 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 :: 119.511 NE2 :: 112.670 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.15 Q 0.1 I 0.09 M 0.02 R 0.01 HN Overlap>> 1.T93 1.T93 C Shift Assignments>> C :: 177.610 CA :: 58.250 CB :: 28.815 CG :: 35.576 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 :: 8.566 HA :: 4.000 HB2 :: 1.632 HB3 :: 1.522 HG2 :: 1.956 HG3 :: 1.956 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 :: 120.013 Ave N Shift Values>> N :: 120.68(3.68) 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 H 0.35 C Shift Assignments>> C :: 175.930 CA :: 57.749 CB :: 31.658 CD2 :: 115.218 CE1 :: 138.254 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 :: 7.545 HA :: 4.541 HB2 :: 3.084 HB3 :: 3.617 HD2 :: 7.300 HE1 :: 7.710 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 :: 115.563 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.4 R 0.09 C Shift Assignments>> C :: 177.678 CA :: 57.756 CB :: 41.492 CG :: 27.259 CD1 :: 23.151 CD2 :: 25.748 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 :: 7.557 HA :: 4.117 HB2 :: 1.560 HB3 :: 1.876 HG :: 1.664 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 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 :: 120.405 Ave N Shift Values>> N :: 121.98(4.07) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 175.053 CA :: 52.683 CB :: 41.482 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>> HA :: 4.886 HB2 :: 2.617 HB3 :: 2.817 HD21 :: 6.918 HD22 :: 7.609 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>> ND2 :: 113.817 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.552 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.896 HA2 :: 4.220 HA3 :: 4.282 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.996 Ave N Shift Values>> N :: 109.91(4.29) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.049 CA :: 62.830 CB :: 31.838 CG :: 27.271 CD :: 50.520 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.446 HB2 :: 1.924 HB3 :: 2.329 HG2 :: 2.044 HG3 :: 2.106 HD2 :: 3.680 HD3 :: 3.831 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.24 A 0.06 R 0.04 C Shift Assignments>> C :: 176.586 CA :: 52.651 CB :: 41.534 CG :: 27.264 CD1 :: 23.226 CD2 :: 25.718 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 :: 8.346 HB2 :: 1.738 HB3 :: 1.549 HG :: 1.821 HD11 :: 1.253 HD12 :: 1.253 HD13 :: 1.253 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 123.465 Ave N Shift Values>> N :: 121.98(4.07) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 173.052 CA :: 61.940 CB :: 31.812 CG :: 26.244 CD :: 49.623 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.580 HB2 :: 1.815 HB3 :: 2.250 HG2 :: 1.481 HG3 :: 1.588 HD2 :: 3.267 HD3 :: 3.552 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.36 A 0.02 C Shift Assignments>> C :: 175.130 CA :: 58.276 CB :: 33.349 CG1 :: 20.045 CG2 :: 20.665 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 :: 7.695 HA :: 4.547 HB :: 1.941 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 114.589 Ave N Shift Values>> N :: 121.02(4.96) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 63.327 CB :: 32.076 CD :: 50.636 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.122 HB2 :: 1.793 HB3 :: 1.995 HD2 :: 3.723 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.19 I 0.11 D 0.05 L 0.04 E 0.02 N 0.01 K 0.01 HN Overlap>> 1.F96 1.F96 C Shift Assignments>> C :: 176.127 CA :: 58.056 CB :: 39.437 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 :: 8.001 HA :: 4.551 HB2 :: 3.082 HB3 :: 3.110 HD1 :: 7.300 HD2 :: 7.300 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 :: 121.426 Ave N Shift Values>> N :: 120.69(4.18) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.927 CA :: 61.286 CB :: 69.923 CG2 :: 21.197 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 :: 8.100 HA :: 4.376 HB :: 4.196 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 116.425 Ave N Shift Values>> N :: 115.7(5.05) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 C 0.12 N 0.11 F 0.1 Y 0.09 K 0.09 R 0.01 C Shift Assignments>> C :: 176.233 CA :: 54.685 CB :: 40.712 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 :: 7.908 HA :: 4.482 HB2 :: 2.729 HB3 :: 2.824 HD21 :: 6.850 HD22 :: 7.529 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 :: 125.457 ND2 :: 112.399 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.497 CA :: 45.039 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.298 HA2 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.663 Ave N Shift Values>> N :: 109.91(4.29) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.1 K 0.09 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.826 CA :: 56.234 CB :: 30.111 CG :: 36.137 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 :: 8.227 HA :: 4.299 HB2 :: 1.945 HB3 :: 2.030 HG2 :: 2.257 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 :: 120.557 Ave N Shift Values>> N :: 120.68(3.68) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.282 CA :: 60.851 CB :: 38.398 CG1 :: 27.251 CG2 :: 17.259 CD1 :: 12.101 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 :: 8.185 HA :: 4.118 HB :: 1.848 HG12 :: 1.198 HG13 :: 1.486 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 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 :: 121.973 Ave N Shift Values>> N :: 121.6(4.72) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.24 C 0.24 E 0.1 M 0.07 R 0.05 C Shift Assignments>> C :: 175.931 CA :: 55.699 CB :: 29.293 CG :: 33.750 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 :: 8.452 HA :: 4.335 HB2 :: 1.986 HB3 :: 2.095 HG2 :: 2.335 HG3 :: 2.335 HE21 :: 6.917 HE22 :: 7.608 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 :: 124.768 NE2 :: 112.822 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 176.771 CA :: 56.268 CB :: 32.860 CG :: 24.859 CD :: 29.302 CE :: 41.997 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 :: 8.370 HA :: 4.290 HB2 :: 1.772 HB3 :: 1.845 HG2 :: 1.478 HG3 :: 1.477 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 3.005 HE3 :: 3.005 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 :: 123.352 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 K 0.07 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.384 CA :: 56.242 CB :: 30.156 CG :: 36.518 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 :: 8.534 HA :: 4.292 HB2 :: 2.006 HB3 :: 2.051 HG2 :: 2.337 HG3 :: 2.336 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 :: 121.908 Ave N Shift Values>> N :: 120.68(3.68) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 175.370 CA :: 53.225 CB :: 38.952 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 :: 8.508 HA :: 4.681 HB2 :: 2.781 HB3 :: 2.875 HD21 :: 6.952 HD22 :: 7.628 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 :: 119.699 ND2 :: 112.569 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.477 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.243 HA :: 3.878 HB2 :: 3.889 HB3 :: 3.889 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 :: 116.360 Ave N Shift Values>> N :: 116.3(3.95) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.16 E 0.14 M 0.13 H 0.12 K 0.12 Q 0.08 V 0.03 I 0.01 C Shift Assignments>> CA :: 57.506 CB :: 31.359 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 :: 7.969 HA :: 4.471 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 :: 127.541 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 127 #Suspicious: 1 C Shift Results: #Consistent: 495 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 842 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R56 HG2 = 0.186(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.4307e-07 1.F97 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.P104 HB2 = 0.563(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.3739e-04 1.S105 H = 10.748(S), Expected = 8.29, Std = 0.6200, ChiSquare = 7.3545e-05