G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.79 A 0.19 C Shift Assignments>> C :: 175.807 CA :: 55.899 CB :: 33.29 CG :: 31.91 CE :: 17.031 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 :: 4.53 HB2 :: 1.999 HB3 :: 1.999 HG2 :: 2.502 HG3 :: 2.502 HE :: 2.095 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) T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.112 CA :: 62.343 CB :: 70.013 CG2 :: 21.449 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 :: 8.264 HA :: 4.41 HB :: 4.263 HG2 :: 1.212 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 :: 115.78 Ave N Shift Values>> N :: 115.7(5.05) T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.771 CA :: 62.276 CB :: 70.069 CG2 :: 21.476 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 :: 8.112 HA :: 4.345 HB :: 4.214 HG2 :: 1.191 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 :: 116.258 Ave N Shift Values>> N :: 115.7(5.05) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.24 K 0.08 Q 0.07 I 0.05 C Shift Assignments>> C :: 175.511 CA :: 56.767 CB :: 30.901 CG :: 36.107 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 :: 8.34 HA :: 4.311 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 2.2 HG3 :: 2.2 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 :: 123.734 Ave N Shift Values>> N :: 120.68(3.68) I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.138 CA :: 61.017 CB :: 39.091 CG1 :: 27.24 CG2 :: 17.516 CD1 :: 13.098 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 :: 8.183 HA :: 4.086 HB :: 1.763 HG2 :: 0.804 HG12 :: 1.463 HG13 :: 1.151 HD1 :: 0.829 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 :: 123.635 Ave N Shift Values>> N :: 121.6(4.72) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.27 M 0.06 G 0.01 C Shift Assignments>> C :: 175.194 CA :: 55.883 CB :: 32.87 CG :: 24.706 CD :: 29.307 CE :: 42.234 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 :: 8.352 HA :: 4.281 HB2 :: 1.692 HB3 :: 1.692 HG2 :: 1.367 HG3 :: 1.367 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.992 HE3 :: 2.992 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 :: 128.26 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 M 0.02 G 0.01 HN Overlap>> K109 C Shift Assignments>> C :: 177.108 CA :: 55.851 CB :: 33.855 CG :: 25.532 CD :: 29.288 CE :: 42.161 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 :: 8.145 HA :: 3.616 HB2 :: 1.352 HB3 :: 1.352 HG2 :: 1.237 HG3 :: 0.528 HD2 :: 1.307 HD3 :: 1.307 HE2 :: 2.909 HE3 :: 2.909 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 :: 123.966 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 R 0.19 G 0.13 C Shift Assignments>> C :: 175.802 CA :: 56.136 CB :: 43.477 CG :: 27.279 CD1 :: 25.564 CD2 :: 24.833 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 :: 10.376(S) HA :: 4.177 HB2 :: 1.87 HB3 :: 1.426 HG :: 1.943 HD1 :: 0.741 HD2 :: 0.861 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 :: 127.211 Ave N Shift Values>> N :: 121.98(4.07) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.29 L 0.14 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> CA :: 52.357 CB :: 40.66 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 :: 8.034 HA :: 4.657 HB2 :: 2.675 HB3 :: 2.675 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 :: 122.548 Ave N Shift Values>> N :: 120.73(4.2) P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.967 CA :: 66.061 CB :: 32.051 CG :: 27.301 CD :: 50.285 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 :: 3.372 HB2 :: 1.426 HB3 :: 1.629 HG2 :: 1.784 HG3 :: 0.959 HD2 :: 3.553 HD3 :: 3.553 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) D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 I 0.1 L 0.09 D 0.08 K 0.06 N 0.01 C Shift Assignments>> C :: 174.115 CA :: 57.857 CB :: 40.107 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 :: 7.935 HA :: 4.28 HB2 :: 2.588 HB3 :: 2.588 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 :: 113.66 Ave N Shift Values>> N :: 120.73(4.2) T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> E85 C Shift Assignments>> C :: 175.597 CA :: 66.62 CB :: 68.304 CG2 :: 22.62 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 :: 7.641 HA :: 4.01 HB :: 4.113 HG2 :: 1.28 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 :: 117.813 Ave N Shift Values>> N :: 115.7(5.05) A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.06 V 0.01 C Shift Assignments>> C :: 177.833 CA :: 55.877 CB :: 18.262 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.086 HA :: 3.816 HB :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.855 Ave N Shift Values>> N :: 123.23(3.7) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.265 CA :: 66.201 CB :: 38.464 CG1 :: 30.687 CG2 :: 16.374 CD1 :: 14.301 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 :: 8.303 HA :: 3.526 HB :: 1.94 HG2 :: 0.886 HG12 :: 1.828 HG13 :: 0.928 HD1 :: 0.919 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 :: 117.144 Ave N Shift Values>> N :: 121.6(4.72) D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 K 0.14 L 0.12 D 0.08 I 0.07 R 0.02 N 0.01 HN Overlap>> I23 C Shift Assignments>> C :: 178.73 CA :: 57.802 CB :: 40.675 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 :: 7.495 HA :: 4.423 HB2 :: 2.839 HB3 :: 2.761 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 :: 120.092 Ave N Shift Values>> N :: 120.73(4.2) I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.665 CA :: 65.082 CB :: 39.031 CG1 :: 28.742 CG2 :: 17.341 CD1 :: 15.194 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 :: 8.092 HA :: 3.686 HB :: 1.723 HG2 :: 0.809 HG12 :: 1.006 HG13 :: 1.938 HD1 :: 0.792 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 :: 119.452 Ave N Shift Values>> N :: 121.6(4.72) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C Shift Assignments>> C :: 177.877 CA :: 54.964 CB :: 18.624 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.095 HA :: 3.02 HB :: 0.894 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.154 Ave N Shift Values>> N :: 123.23(3.7) Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 Y 0.21 F 0.2 E 0.02 C Shift Assignments>> C :: 176.094 CA :: 61.591 CB :: 38.453 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 :: 8.563 HA :: 4.081 HB2 :: 3.108 HB3 :: 3.108 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 6.649 HE2 :: 6.649 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 :: 116.691 Ave N Shift Values>> N :: 120.79(4.69) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 K 0.18 L 0.13 D 0.09 I 0.05 R 0.03 N 0.01 C Shift Assignments>> C :: 179.214 CA :: 57.714 CB :: 40.914 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 :: 7.549 HA :: 4.3 HB2 :: 2.601 HB3 :: 2.787 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 :: 117.52 Ave N Shift Values>> N :: 120.73(4.2) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> D18 C Shift Assignments>> C :: 177.672 CA :: 65.612 CB :: 37.479 CG1 :: 28.059 CG2 :: 19.551 CD1 :: 13.07 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 :: 7.584 HA :: 3.617 HB :: 1.414 HG2 :: 0.727 HG12 :: 1.522 HG13 :: 0.579 HD1 :: 0.013 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 :: 120.121 Ave N Shift Values>> N :: 121.6(4.72) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 F 0.14 Y 0.11 C Shift Assignments>> C :: 176.104 CA :: 63.594 CB :: 39.473 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 :: 8.707 HA :: 4.066 HB2 :: 3.409 HB3 :: 3.231 HD1 :: 6.953 HD2 :: 6.953 HE1 :: 6.716 HE2 :: 6.716 HZ :: 6.35 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 :: 121.503 Ave N Shift Values>> N :: 120.69(4.18) L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 A 0.02 G 0.02 C Shift Assignments>> C :: 179.687 CA :: 57.671 CB :: 41.877 CG :: 26.106 CD1 :: 22.281 CD2 :: 25.49 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 :: 8.343 HA :: 3.678 HB2 :: 1.736 HB3 :: 1.273 HG :: 1.318 HD1 :: 0.786 HD2 :: 0.73 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 :: 116.876 Ave N Shift Values>> N :: 121.98(4.07) E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.17 K 0.12 M 0.09 Q 0.08 C Shift Assignments>> C :: 178.027 CA :: 59.022 CB :: 30.135 CG :: 35.869 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 :: 7.494 HA :: 4.078 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.26 HG3 :: 2.26 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 :: 118.422 Ave N Shift Values>> N :: 120.68(3.68) M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.15 I 0.09 C Shift Assignments>> C :: 177.867 CA :: 57.199 CB :: 36.397 CG :: 32.937 CE :: 17.572 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 :: 8.185 HA :: 4.507 HB2 :: 2.174 HB3 :: 2.174 HG2 :: 2.845 HG3 :: 2.579 HE :: 2.284 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 :: 114.04 Ave N Shift Values>> N :: 120.1(3.88) A28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 I 0.14 A 0.12 C Shift Assignments>> C :: 178.745 CA :: 56.633 CB :: 17.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.775 HA :: 3.121 HB :: 0.348(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.56 Ave N Shift Values>> N :: 123.23(3.7) G29 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>> C :: 174.814 CA :: 46.585 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.553 HA2 :: 3.631 HA3 :: 3.519 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.762 Ave N Shift Values>> N :: 109.91(4.29) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.3 K 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.773 CA :: 55.918 CB :: 31.308 CG :: 36.438 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 :: 7.061 HA :: 4.308 HB2 :: 1.983 HB3 :: 1.683 HG2 :: 2.138 HG3 :: 2.138 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 :: 116.158 Ave N Shift Values>> N :: 120.68(3.68) N31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.17 F 0.11 Y 0.09 N 0.07 R 0.05 C Shift Assignments>> C :: 172.859 CA :: 54.953 CB :: 41.273 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 :: 6.932 HA :: 4.366 HB2 :: 0.604(S) HB3 :: 0.143(M) 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 :: 115.967 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.34 K 0.15 R 0.09 C Shift Assignments>> C :: 175.588 CA :: 53.665 CB :: 43.749 CG :: 24.778 CD1 :: 26.991 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 :: 7.49 HA :: 4.585 HB2 :: 1.493 HB3 :: 1.383 HG :: 1.402 HD1 :: 0.742 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 :: 119.248 Ave N Shift Values>> N :: 121.98(4.07) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.23 R 0.16 K 0.12 F 0.04 N 0.04 Y 0.03 G 0.02 C Shift Assignments>> CA :: 53.587 CB :: 42.599 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 :: 9.686 HA :: 4.698 HB2 :: 2.818 HB3 :: 2.683 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 :: 123.977 Ave N Shift Values>> N :: 120.73(4.2) P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.135 CA :: 66.154 CB :: 32.283 CG :: 27.497 CD :: 51.052 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 :: 4.148 HB2 :: 2.4 HB3 :: 1.959 HG2 :: 2.114 HG3 :: 2.114 HD2 :: 3.84 HD3 :: 3.757 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) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 V 0.01 C Shift Assignments>> C :: 180.492 CA :: 55.613 CB :: 18.813 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.251 HA :: 4.192 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.662 Ave N Shift Values>> N :: 123.23(3.7) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 R 0.17 F 0.16 Y 0.11 D 0.06 I 0.02 C Shift Assignments>> C :: 177.576 CA :: 57.64 CB :: 42.069 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 :: 7.71 HA :: 4.977 HB2 :: 2.851 HB3 :: 2.567 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 :: 118.84 Ave N Shift Values>> N :: 120.73(4.2) I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.272 CA :: 64.205 CB :: 37.431 CG1 :: 28.8 CG2 :: 17.566 CD1 :: 12.327 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 :: 7.766 HA :: 3.668 HB :: 1.889 HG2 :: 0.903 HG12 :: 0.913 HG13 :: 1.455 HD1 :: 0.641 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 :: 121.879 Ave N Shift Values>> N :: 121.6(4.72) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.42 R 0.04 C Shift Assignments>> C :: 178.295 CA :: 58.788 CB :: 41.812 CG :: 26.777 CD1 :: 24.741 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 :: 7.726 HA :: 4.199 HB2 :: 1.771 HB3 :: 1.724 HG :: 1.708 HD1 :: 0.989 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 :: 120.367 Ave N Shift Values>> N :: 121.98(4.07) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.13 G 0.04 C Shift Assignments>> C :: 178.621 CA :: 58.819 CB :: 42.462 CG :: 27.332 CD1 :: 24.723 CD2 :: 24.046 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 :: 7.55 HA :: 4.183 HB2 :: 2.068 HB3 :: 2.068 HG :: 1.889 HD1 :: 1.062 HD2 :: 1.046 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 :: 119.089 Ave N Shift Values>> N :: 121.98(4.07) F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 F 0.19 Y 0.17 C Shift Assignments>> C :: 177.015 CA :: 62.29 CB :: 38.983 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 :: 8.672 HA :: 4.013 HB2 :: 3.244 HB3 :: 2.741 HD1 :: 6.807 HD2 :: 6.807 HE1 :: 6.693 HE2 :: 6.693 HZ :: 6.872 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 :: 120.172 Ave N Shift Values>> N :: 120.69(4.18) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.23 N 0.11 E 0.1 D 0.09 I 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 177.898 CA :: 56.417 CB :: 38.35 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 :: 8.846 HA :: 4.392 HB2 :: 3.081 HB3 :: 2.844 HD21 :: 7.42 HD22 :: 6.947 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 :: 118.67 ND2 :: 110.635 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 G 0.2 R 0.1 A 0.01 C Shift Assignments>> C :: 177.366 CA :: 57.298 CB :: 43.652 CG :: 26.764 CD1 :: 22.951 CD2 :: 24.857 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 :: 8.497 HA :: 4.37 HB2 :: 1.995 HB3 :: 1.662 HG :: 1.91 HD1 :: 0.938 HD2 :: 0.944 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 :: 118.974 Ave N Shift Values>> N :: 121.98(4.07) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 E 0.32 K 0.06 Q 0.01 I 0.01 HN Overlap>> R47 C Shift Assignments>> CA :: 57.174 CB :: 34.348 CG :: 32.03 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 :: 8.27 HA :: 4.729 HB2 :: 2.426 HB3 :: 2.346 HG2 :: 2.291 HG3 :: 2.025 HE21 :: 7.162 HE22 :: 7.002 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 :: 114.468 NE2 :: 111.899 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 F 0.18 Y 0.14 C Shift Assignments>> C :: 177.298 CA :: 62.82 CB :: 39.385 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 :: 8.666 HA :: 3.673 HB2 :: 2.511 HB3 :: 2.765 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 7.334 HE2 :: 7.334 HZ :: 6.965 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 :: 123.388 Ave N Shift Values>> N :: 120.69(4.18) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.39 K 0.09 Q 0.02 M 0.02 C Shift Assignments>> CA :: 59.691 CB :: 29.156 CG :: 36.499 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 :: 8.666 HA :: 3.941 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.321 HG3 :: 2.278 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 :: 118.12 Ave N Shift Values>> N :: 120.68(3.68) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.16 M 0.11 K 0.08 Q 0.03 C Shift Assignments>> C :: 179.372 CA :: 57.978 CB :: 30.276 CG :: 36.598 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 :: 7.609 HA :: 4.261 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.479 HG3 :: 2.321 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 :: 116.419 Ave N Shift Values>> N :: 120.68(3.68) R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.18 K 0.13 HN Overlap>> Q43 C Shift Assignments>> C :: 173.931 CA :: 55.418 CB :: 31.356 CG :: 27.258 CD :: 43.717 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 :: 8.316 HA :: 4.744 HB2 :: 2.024 HB3 :: 1.917 HG2 :: 1.649 HG3 :: 1.649 HD2 :: 3.278 HD3 :: 3.278 HE :: 7.22 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 :: 114.485 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.189 CA :: 45.356 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.896 HA2 :: 2.626(S) HA3 :: 4.185 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.926 Ave N Shift Values>> N :: 109.91(4.29) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.295 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.75 HA2 :: 4.311 HA3 :: 3.573 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.043 Ave N Shift Values>> N :: 109.91(4.29) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 M 0.05 K 0.01 C Shift Assignments>> C :: 174.65 CA :: 61.733 CB :: 33.582 CG1 :: 21.626 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 :: 7.896 HA :: 5.151 HB :: 2.003 HG1 :: 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 :: 120.962 Ave N Shift Values>> N :: 121.02(4.96) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 E 0.21 Q 0.06 C Shift Assignments>> C :: 173.53 CA :: 54.986 CB :: 33.897 CG :: 35.245 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 :: 9.274 HA :: 4.837 HB2 :: 1.883 HB3 :: 1.666 HG2 :: 2.101 HG3 :: 2.033 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 :: 125.271 Ave N Shift Values>> N :: 120.68(3.68) F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 K 0.15 L 0.12 D 0.09 I 0.07 R 0.02 N 0.01 C Shift Assignments>> C :: 174.015 CA :: 57.758 CB :: 40.691 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 :: 8.763 HA :: 4.901 HB2 :: 3.156 HB3 :: 2.852 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 7.224 HE2 :: 7.224 HZ :: 7.405 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 :: 127.409 Ave N Shift Values>> N :: 120.69(4.18) V53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.84 A 0.08 I 0.06 C Shift Assignments>> C :: 173.439 CA :: 59.007 CB :: 35.082 CG1 :: 20.736 CG2 :: 18.03 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 :: 7.956 HA :: 4.324 HB :: 1.556 HG1 :: -0.075(S) HG2 :: -0.108 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 :: 124.572 Ave N Shift Values>> N :: 121.02(4.96) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.15 I 0.1 M 0.1 Q 0.07 C Shift Assignments>> C :: 175.749 CA :: 56.998 CB :: 29.818 CG :: 36.299 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 :: 7.887 HA :: 4.048 HB2 :: 1.924 HB3 :: 1.822 HG2 :: 2.289 HG3 :: 2.289 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 :: 120.15 Ave N Shift Values>> N :: 120.68(3.68) T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.548 CA :: 63.067 CB :: 69.018 CG2 :: 22.875 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 :: 8.366 HA :: 4.575 HB :: 4.186 HG2 :: 1.548 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 :: 122.406 Ave N Shift Values>> N :: 115.7(5.05) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.24 L 0.09 C Shift Assignments>> C :: 177.179 CA :: 52.943 CB :: 20.786 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.581 HA :: 4.352 HB :: 1.681 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.582 Ave N Shift Values>> N :: 123.23(3.7) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 K 0.18 R 0.12 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 177.329 CA :: 54.529 CB :: 42.034 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 :: 8.174 HA :: 4.765 HB2 :: 2.93 HB3 :: 2.739 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 :: 115.954 Ave N Shift Values>> N :: 120.73(4.2) D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.29 L 0.13 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 177.275 CA :: 53.41 CB :: 40.206 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 :: 8.028 HA :: 4.892 HB2 :: 2.905 HB3 :: 2.445 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) W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 W 0.13 P 0.11 V 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 C Shift Assignments>> C :: 177.986 CA :: 61.741 CB :: 28.823 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.389 HA :: 4.056 HB2 :: 3.145 HB3 :: 2.925 HD1 :: 7.295 HE1 :: 10.91 HE3 :: 7.338 HZ2 :: 7.202 HZ3 :: 6.715 HH2 :: 6.799 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.143 NE1 :: 133.513 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.25 K 0.13 Q 0.08 M 0.04 C Shift Assignments>> C :: 178.61 CA :: 59.859 CB :: 29.627 CG :: 35.725 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 :: 8.952 HA :: 4.025 HB2 :: 1.923 HB3 :: 1.923 HG2 :: 2.045 HG3 :: 1.925 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 :: 121.488 Ave N Shift Values>> N :: 120.68(3.68) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.21 K 0.12 M 0.06 Q 0.05 C Shift Assignments>> C :: 177.015 CA :: 58.75 CB :: 29.739 CG :: 36.24 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 :: 7.86 HA :: 3.973 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.269 HG3 :: 2.269 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 :: 118.072 Ave N Shift Values>> N :: 120.68(3.68) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 M 0.27 Q 0.15 K 0.08 I 0.04 C Shift Assignments>> C :: 177.698 CA :: 58.14 CB :: 31.262 CG :: 35.248 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 :: 7.567 HA :: 4.34 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.091 HG3 :: 2.015 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 :: 116.634 Ave N Shift Values>> N :: 120.68(3.68) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.029 CA :: 61.608 CB :: 39.929 CG1 :: 26.675 CG2 :: 17.99 CD1 :: 13.092 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 :: 8.236 HA :: 4.596 HB :: 2.06 HG2 :: 0.9 HG12 :: 1.106 HG13 :: 1.443 HD1 :: 0.268 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 :: 110.206 Ave N Shift Values>> N :: 121.6(4.72) G64 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>> C :: 173.001 CA :: 46.601 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2 HA2 :: 4.074 HA3 :: 3.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.553 Ave N Shift Values>> N :: 109.91(4.29) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.03 A 0.01 C Shift Assignments>> C :: 172.685 CA :: 59.824 CB :: 35.232 CG1 :: 19.575 CG2 :: 21.4 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 :: 6.826 HA :: 4.275 HB :: 1.678 HG1 :: 0.616 HG2 :: 0.713 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 :: 116.011 Ave N Shift Values>> N :: 121.02(4.96) L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 K 0.42 R 0.03 C Shift Assignments>> C :: 175.771 CA :: 55.79 CB :: 41.655 CG :: 27.131 CD1 :: 24.512 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 :: 8.02 HA :: 4.112 HB2 :: 1.584 HB3 :: 1.509 HD1 :: 0.862 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 :: 124.123 Ave N Shift Values>> N :: 121.98(4.07) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 A 0.14 C Shift Assignments>> C :: 174.698 CA :: 57.767 CB :: 39.664 CG1 :: 25.046 CG2 :: 17.59 CD1 :: 10.797 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 :: 7.932 HA :: 4.24 HB :: 1.832 HG2 :: 0.309 HG12 :: 1.071 HG13 :: 0.723 HD1 :: -0.077 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 :: 125.621 Ave N Shift Values>> N :: 121.6(4.72) D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 K 0.06 R 0.05 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.6 CB :: 41.941 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 :: 8.784 HA :: 5.08 HB2 :: 3.006 HB3 :: 2.645 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 :: 129.042 Ave N Shift Values>> N :: 120.73(4.2) P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.505 CA :: 64.965 CB :: 32.725 CG :: 27.465 CD :: 51.714 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 :: 4.271 HB2 :: 2.096 HB3 :: 2.323 HG2 :: 2.212 HG3 :: 2.08 HD2 :: 4.253 HD3 :: 4.125 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) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.15 M 0.11 K 0.09 Q 0.03 C Shift Assignments>> C :: 177.431 CA :: 57.676 CB :: 30.2 CG :: 36.561 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 :: 8.354 HA :: 4.253 HB2 :: 2.158 HB3 :: 2.051 HG2 :: 2.461 HG3 :: 2.461 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 :: 114.32 Ave N Shift Values>> N :: 120.68(3.68) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.2 I 0.12 K 0.02 C Shift Assignments>> C :: 175.831 CA :: 57.227 CB :: 31.455 CG :: 37.338 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 :: 8.297 HA :: 4.357 HB2 :: 2.002 HB3 :: 2.225 HG2 :: 2.353 HG3 :: 2.101 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 :: 114.615 Ave N Shift Values>> N :: 120.68(3.68) Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.26 G 0.2 F 0.06 Y 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 172.892 CA :: 57.26 CB :: 44.088 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 :: 7.44 HA :: 4.518 HB2 :: 2.592 HB3 :: 2.233 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 6.782 HE2 :: 6.782 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 :: 118.151 Ave N Shift Values>> N :: 120.79(4.69) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 L 0.17 M 0.1 C Shift Assignments>> C :: 174.457 CA :: 50.025 CB :: 21.984 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.862 HA :: 4.749 HB :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.562 Ave N Shift Values>> N :: 123.23(3.7) E74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.54 M 0.4 I 0.03 C Shift Assignments>> C :: 173.779 CA :: 55.07 CB :: 32.528 CG :: 37.596 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 :: 8.311 HA :: 5.732(S) HB2 :: 2.08 HB3 :: 1.756 HG2 :: 2.578 HG3 :: 2.197 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 :: 125.518 Ave N Shift Values>> N :: 120.68(3.68) V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 I 0.38 L 0.11 A 0.01 C Shift Assignments>> C :: 174.829 CA :: 59.801 CB :: 37.397 CG1 :: 21.546 CG2 :: 24.066 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 :: 8.811 HA :: 5.163 HB :: 1.657 HG1 :: 0.821 HG2 :: 0.85 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 :: 123.044 Ave N Shift Values>> N :: 121.02(4.96) W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 Q 0.24 K 0.2 H 0.06 R 0.05 W 0.05 E 0.04 V 0.01 C Shift Assignments>> C :: 174.856 CA :: 54.392 CB :: 33.679 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.63 HA :: 5.997 HB2 :: 3.314 HB3 :: 3.314 HD1 :: 7.104 HE1 :: 10.124 HE3 :: 7.654 HZ2 :: 7.494 HZ3 :: 7.122 HH2 :: 7.207 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 128.749 NE1 :: 129.702 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.818 CA :: 61.147 CB :: 34.712 CG1 :: 20.756 CG2 :: 21.05 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 :: 9.063 HA :: 5.042 HB :: 1.845 HG1 :: 0.288 HG2 :: 0.968 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 :: 121.561 Ave N Shift Values>> N :: 121.02(4.96) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 P 0.25 A 0.1 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 169.705 CA :: 48.005 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.104 HA2 :: 4.755 HA3 :: 4.314 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.46 Ave N Shift Values>> N :: 109.91(4.29) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.36 R 0.09 A 0.04 C Shift Assignments>> C :: 175.482 CA :: 53.175 CB :: 43.974 CG :: 26.756 CD1 :: 23.519 CD2 :: 26.763 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 :: 8.697 HA :: 5.114 HB2 :: 1.846 HB3 :: 1.357 HG :: 1.711 HD1 :: 0.818 HD2 :: 1.02 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 :: 118.87 Ave N Shift Values>> N :: 121.98(4.07) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.429 CA :: 60.669 CB :: 34.028 CG1 :: 20.873 CG2 :: 19.666 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 :: 8.801 HA :: 4.791 HB :: 1.848 HG1 :: 0.785 HG2 :: 0.797 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 :: 117.673 Ave N Shift Values>> N :: 121.02(4.96) N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.24 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 177.144 CA :: 51.376 CB :: 39.214 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 :: 8.686 HA :: 4.853 HB2 :: 3.488 HB3 :: 3.163 HD21 :: 7.594 HD22 :: 7.475 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 :: 124.431 ND2 :: 112.665 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.33 K 0.09 M 0.02 Q 0.02 C Shift Assignments>> C :: 176.518 CA :: 59.231 CB :: 29.325 CG :: 36.563 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 :: 8.838 HA :: 4.155 HB2 :: 2.111 HB3 :: 2.039 HG2 :: 2.356 HG3 :: 2.356 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 :: 117.236 Ave N Shift Values>> N :: 120.68(3.68) Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.21 R 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 174.26 CA :: 55.791 CB :: 28.104 CG :: 34.651 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 :: 7.881 HA :: 4.443 HB2 :: 2.321 HB3 :: 1.932 HG2 :: 2.336 HG3 :: 2.263 HE21 :: 7.513 HE22 :: 6.78 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 :: 118.387 NE2 :: 112.211 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 D 0.17 L 0.1 N 0.09 I 0.05 K 0.02 E 0.01 C Shift Assignments>> C :: 177.964 CA :: 56.387 CB :: 39.567 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 :: 8.192 HA :: 4.149 HB2 :: 2.99 HB3 :: 2.768 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 :: 114.833 Ave N Shift Values>> N :: 120.73(4.2) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 E 0.4 Q 0.1 K 0.05 HN Overlap>> T15 C Shift Assignments>> C :: 175.36 CA :: 54.445 CB :: 31.443 CG :: 35.73 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 :: 7.645 HA :: 4.478 HB2 :: 1.886 HB3 :: 1.886 HG2 :: 2.186 HG3 :: 2.069 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 :: 117.784 Ave N Shift Values>> N :: 120.68(3.68) M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 174.187 CA :: 56.277 CB :: 32.129 CG :: 32.693 CE :: 17.451 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 :: 9.118 HA :: 4.71 HB2 :: 1.995 HB3 :: 1.995 HG2 :: 2.272 HG3 :: 2.272 HE :: 1.919 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 :: 125.552 Ave N Shift Values>> N :: 120.1(3.88) D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.25 K 0.16 R 0.11 F 0.06 N 0.05 Y 0.05 C Shift Assignments>> C :: 175.31 CA :: 54.176 CB :: 42.034 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 :: 8.562 HA :: 4.643 HB2 :: 2.799 HB3 :: 2.44 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 :: 127.608 Ave N Shift Values>> N :: 120.73(4.2) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.27 K 0.15 R 0.1 N 0.06 F 0.06 Y 0.04 C Shift Assignments>> C :: 173.863 CA :: 53.701 CB :: 42.028 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 :: 7.423 HA :: 4.742 HB2 :: 2.289 HB3 :: 2.608 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 :: 121.308 Ave N Shift Values>> N :: 120.73(4.2) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.849 CA :: 62.955 CB :: 32.695 CG1 :: 22.015 CG2 :: 22.002 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 :: 8.18 HA :: 3.989 HB :: 1.703 HG1 :: 0.638 HG2 :: 0.453 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 :: 124.684 Ave N Shift Values>> N :: 121.02(4.96) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.26 I 0.18 K 0.1 L 0.05 R 0.02 D 0.02 C Shift Assignments>> C :: 174.876 CA :: 59.636 CB :: 40.721 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 :: 9.523 HA :: 4.711 HB2 :: 3.458 HB3 :: 3.035 HD1 :: 7.297 HD2 :: 7.297 HE1 :: 7.607 HE2 :: 7.607 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 :: 127.789 Ave N Shift Values>> N :: 120.69(4.18) A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 K 0.19 M 0.06 R 0.04 A 0.04 P 0.01 H 0.01 HN Overlap>> F104 C Shift Assignments>> C :: 174.06 CA :: 52.081 CB :: 24.059 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.025 HA :: 4.816 HB :: 0.902 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 123.23(3.7) K92 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.46 K 0.41 M 0.09 G 0.01 C Shift Assignments>> C :: 173.446 CA :: 55.22 CB :: 36.398 CG :: 24.819 CD :: 30.572 CE :: 41.749 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 :: 7.973 HA :: 5.132 HB2 :: 1.571 HB3 :: 1.571 HG2 :: 1.047 HG3 :: 1.047 HD2 :: 1.278 HD3 :: 1.152 HE2 :: 2.053(S) HE3 :: 1.028(M) 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 :: 118.684 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) (HE3 > HG2 : 0.9993) (HE3 > HG3 : 0.9993) (HE3 > HD2 : 0.9989) (HE3 > HD3 : 0.9989) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.24 K 0.12 F 0.09 Y 0.06 G 0.04 D 0.04 I 0.01 C Shift Assignments>> C :: 174.38 CA :: 57.391 CB :: 43.203 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 :: 9.858 HA :: 5.21 HB2 :: 3.059 HB3 :: 2.75 HD1 :: 7.027 HD2 :: 7.027 HE1 :: 6.865 HE2 :: 6.865 HZ :: 7 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 :: 119.801 Ave N Shift Values>> N :: 120.69(4.18) L94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 G 0.45 A 0.04 C Shift Assignments>> C :: 176.532 CA :: 53.333 CB :: 44.445 CG :: 25.359 CD1 :: 24.816 CD2 :: 23.454 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 :: 8.811 HA :: 5.333 HB2 :: 0.781 HB3 :: 0.691 HG :: 0.146(S) HD1 :: -0.698(S) HD2 :: -0.054 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 :: 120.456 Ave N Shift Values>> N :: 121.98(4.07) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 G 0.05 C Shift Assignments>> C :: 175.652 CA :: 59.748 CB :: 42.275 CG1 :: 27.384 CG2 :: 17.93 CD1 :: 14.238 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 :: 9.31 HA :: 4.761 HB :: 1.543 HG2 :: 0.817 HG12 :: 1.586 HG13 :: 1.068 HD1 :: 0.765 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 :: 122.536 Ave N Shift Values>> N :: 121.6(4.72) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.908 CA :: 59.154 CB :: 63.514 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.046 HA :: 3.812 HB2 :: 4.038 HB3 :: 3.768 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 :: 123.85 Ave N Shift Values>> N :: 116.3(3.95) H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 V 0.15 R 0.13 E 0.12 K 0.09 H 0.08 M 0.08 I 0.06 Q 0.05 P 0.02 C Shift Assignments>> C :: 178.211 CA :: 59.76 CB :: 31.444 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 :: 7.77 HA :: 4.36 HB2 :: 2.732 HB3 :: 3.213 HD2 :: 6.997 HE1 :: 7.873 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 :: 122.872 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.18 K 0.1 L 0.01 C Shift Assignments>> CA :: 56.96 CB :: 30.156 CG :: 27.552 CD :: 43.744 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 :: 8.488 HA :: 4.066 HB2 :: 1.799 HB3 :: 1.651 HG2 :: 1.647 HG3 :: 1.647 HD2 :: 3.221 HE :: 6.936 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 :: 118.735 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.23 I 0.11 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.024 CA :: 58.264 CB :: 31.688 CG :: 36.646 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 :: 8.34 HA :: 3.94 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 2.235 HG3 :: 2.235 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 :: 124.887 Ave N Shift Values>> N :: 120.68(3.68) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.19 I 0.11 Q 0.11 M 0.06 C Shift Assignments>> C :: 175.653 CA :: 57.399 CB :: 29.294 CG :: 36.01 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 :: 8.272 HA :: 4.069 HB2 :: 1.899 HB3 :: 1.781 HG2 :: 2.242 HG3 :: 2.242 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 :: 121.461 Ave N Shift Values>> N :: 120.68(3.68) D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 F 0.15 Y 0.15 L 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 175.128 CA :: 55.031 CB :: 40.114 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 :: 8.877 HA :: 4.284 HB2 :: 2.751 HB3 :: 2.609 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 :: 123.192 Ave N Shift Values>> N :: 120.73(4.2) R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.18 K 0.14 L 0.03 C Shift Assignments>> C :: 175.28 CA :: 57.653 CB :: 30.105 CG :: 26.181 CD :: 43.736 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 :: 7.21 HA :: 3.747 HB2 :: 2.201 HB3 :: 1.583 HG2 :: 1.739 HG3 :: 1.243 HD2 :: 3.172 HD3 :: 3.048 HE :: 6.644 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 :: 119.779 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.32 Q 0.01 C Shift Assignments>> C :: 173.296 CA :: 54.395 CB :: 33.909 CG :: 36.437 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 :: 8.15 HA :: 4.669 HB2 :: 1.919 HB3 :: 1.919 HG2 :: 2.202 HG3 :: 2.202 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 :: 125.962 Ave N Shift Values>> N :: 120.68(3.68) F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.28 D 0.11 K 0.1 F 0.05 G 0.04 Y 0.04 HN Overlap>> A91 C Shift Assignments>> C :: 173.153 CA :: 55.32 CB :: 43.157 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 :: 7.999 HA :: 5.748 HB2 :: 3.127 HB3 :: 2.818 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 7.26 HE2 :: 7.26 HZ :: 7.311 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 :: 117.881 Ave N Shift Values>> N :: 120.69(4.18) H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 Q 0.25 K 0.2 E 0.07 H 0.05 W 0.04 R 0.04 V 0.01 Y 0.01 C Shift Assignments>> C :: 172.975 CA :: 54.837 CB :: 33.926 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 :: 9.12 HA :: 4.72 HB2 :: 2.87 HB3 :: 2.384 HD2 :: 6.125 HE1 :: 7.806 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 :: 119.601 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.97 A 0.01 I 0.01 C Shift Assignments>> C :: 173.201 CA :: 59.643 CB :: 34.807 CG1 :: 19.365 CG2 :: 20.548 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 :: 8.677 HA :: 4.99 HB :: 1.567 HG1 :: 0.176 HG2 :: -0.35(S) 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 :: 120.73 Ave N Shift Values>> N :: 121.02(4.96) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.834 CA :: 60.266 CB :: 40.413 CG1 :: 28.058 CG2 :: 18.725 CD1 :: 13.698 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 :: 8.431 HA :: 4.224 HB :: 1.44 HG2 :: 0.76 HG12 :: 1.283 HG13 :: 0.962 HD1 :: 0.173 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 :: 126.067 Ave N Shift Values>> N :: 121.6(4.72) W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.15 K 0.15 H 0.13 W 0.13 E 0.11 Q 0.08 V 0.02 C Shift Assignments>> C :: 175.923 CA :: 56.427 CB :: 31.629 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.447 HA :: 4.825 HB2 :: 3.345 HB3 :: 2.984 HD1 :: 7.213 HE1 :: 9.966 HE3 :: 7.707 HZ2 :: 7.196 HZ3 :: 6.745 HH2 :: 6.748 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 128.531 NE1 :: 131.239 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.05 G 0.01 HN Overlap>> K10 C Shift Assignments>> C :: 174.844 CA :: 58.212 CB :: 33.669 CG :: 24.957 CD :: 30.01 CE :: 42.034 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 :: 8.151 HA :: 4.08 HB2 :: 2.447 HB3 :: 1.831 HD2 :: 1.533 HD3 :: 1.38 HE2 :: 2.85 HE3 :: 2.85 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 :: 123.995 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.03 G 0.02 C Shift Assignments>> CA :: 57.617 CB :: 34.485 CG :: 24.818 CD :: 29.432 CE :: 42.439 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 :: 7.95 HA :: 4.36 HB2 :: 1.9 HB3 :: 1.742 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.027 HE3 :: 3.027 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 :: 133.46 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 7 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 1 C Shift Results: #Consistent: 431 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 633 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 2 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L11 H = 10.376(S), Expected = 8.22, Std = 0.6500, ChiSquare = 9.1015e-04 A28 HB = 0.348(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.6593e-05 N31 HB2 = 0.604(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.0552e-10 N31 HB3 = 0.143(M), Expected = 2.78, Std = 0.3400, ChiSquare = 8.7731e-15 G48 HA2 = 2.626(S), Expected = 3.95, Std = 0.4000, ChiSquare = 9.3296e-04 V53 HG1 = -0.075(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.0176e-04 E74 HA = 5.732(S), Expected = 4.26, Std = 0.4300, ChiSquare = 6.1876e-04 K92 HE2 = 2.053(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.1599e-05 K92 HE3 = 1.028(M), Expected = 2.93, Std = 0.2000, ChiSquare = 1.9066e-21 K92 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 K92 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 K92 SRO Rule Break>> HE3 > HG2 : 0.999326372515999 K92 SRO Rule Break>> HE3 > HG3 : 0.999328182734296 K92 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 K92 SRO Rule Break>> HE3 > HD3 : 0.998948106591865 L94 HG = 0.146(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.3975e-05 L94 HD1 = -0.698(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.4174e-08 V106 HG2 = -0.35(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.7222e-05