M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.45 C 0.42 R 0.11 C Shift Assignments>> C :: 176.557 CA :: 56.26 CB :: 33.009 CG :: 24.744 CE :: 41.909 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 :: 4.329 HB2 :: 1.746 HB3 :: 1.84 HG2 :: 1.419 HG3 :: 1.419 HE2 :: 2.973 HE3 :: 2.973 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) E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 R 0.12 Q 0.12 C 0.11 K 0.1 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 176.54 CA :: 57.43 CB :: 29.831 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 :: 8.67 HA :: 4.12 HB2 :: 1.942 HB3 :: 1.984 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 :: 122.751 Ave N Shift Values>> N :: 120.68(3.68) N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.18 C 0.17 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.504 CA :: 53.869 CB :: 38.814 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 :: 8.518 HA :: 4.55 HB2 :: 2.683 HB3 :: 2.683 HD21 :: 6.847 HD22 :: 7.592 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 :: 118.068 ND2 :: 112.895 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 L 0.14 C 0.12 F 0.09 Y 0.08 K 0.06 R 0.01 C Shift Assignments>> C :: 176.818 CA :: 54.187 CB :: 40.536 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 :: 8.078 HA :: 4.599 HB2 :: 2.683 HB3 :: 2.773 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 :: 120.94 Ave N Shift Values>> N :: 120.73(4.2) I6 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 :: 177.484 CA :: 65.359 CB :: 37.15 CG1 :: 29.432 CG2 :: 18.197 CD1 :: 12.524 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 HA :: 3.488 HB :: 1.833 HG2 :: 0.971 HG12 :: 0.873 HG13 :: 1.533 HD1 :: 0.593 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 :: 122.746 Ave N Shift Values>> N :: 121.6(4.72) A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 179.94 CA :: 55.614 CB :: 18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 3.905 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.822 Ave N Shift Values>> N :: 123.23(3.7) G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 177.127 CA :: 46.984 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.083 HA2 :: 3.735 HA3 :: 3.872 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.906 Ave N Shift Values>> N :: 109.91(4.29) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 179.64 CA :: 65.395 CB :: 39.249 CG1 :: 28.247 CG2 :: 18.25 CD1 :: 14.427 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 :: 8.095 HA :: 3.611 HB :: 2.031 HG2 :: 0.934 HG12 :: 1.01 HG13 :: 1.737 HD1 :: 0.632 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 :: 123.877 Ave N Shift Values>> N :: 121.6(4.72) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 L 0.04 A 0.03 V 0.01 HN Overlap>> V32 C Shift Assignments>> C :: 179.928 CA :: 58.403 CB :: 40.716 CG :: 26.147 CD1 :: 20.602 CD2 :: 20.602 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 :: 8.616 HA :: 3.997 HB2 :: 1.479 HB3 :: 1.906 HG :: 0.815 HD1 :: 0.464 HD2 :: 0.464 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 :: 120.93 Ave N Shift Values>> N :: 121.98(4.07) T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.622 CA :: 64.362 CB :: 69.492 CG2 :: 21.993 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 :: 8.461 HA :: 4.378 HB :: 4.351 HG2 :: 1.314 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 :: 111.12 Ave N Shift Values>> N :: 115.7(5.05) S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.369 CA :: 59.138 CB :: 64.017 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.655 HA :: 4.536 HB2 :: 3.929 HB3 :: 3.995 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 :: 115.366 Ave N Shift Values>> N :: 116.3(3.95) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.28 CA :: 65.377 CB :: 71.085 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 :: 7.25 HA :: 3.818 HB :: 4.083 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 :: 121.325 Ave N Shift Values>> N :: 115.7(5.05) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 K 0.2 G 0.03 C Shift Assignments>> C :: 175.915 CA :: 57.294 CB :: 32.127 CG :: 26.81 CD :: 42.855 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 :: 9.352 HA :: 4.785 HB2 :: 1.953 HB3 :: 2.016 HG2 :: 1.601 HG3 :: 1.702 HD2 :: 3.193 HD3 :: 3.193 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 :: 125.637 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 174.349 CA :: 61.374 CB :: 70.307 CG2 :: 23.549 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 :: 8.561 HA :: 5.396 HB :: 4.024 HG2 :: 1.15 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 :: 115.631 Ave N Shift Values>> N :: 115.7(5.05) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.43 G 0.02 C Shift Assignments>> C :: 174.481 CA :: 59.034 CB :: 42.32 CG1 :: 28.287 CG2 :: 17.19 CD1 :: 14.174 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 :: 9.298 HA :: 5.042 HB :: 1.457 HG2 :: 0.557 HG12 :: 0.69 HG13 :: 1.328 HD1 :: 0.083 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 :: 129.569 Ave N Shift Values>> N :: 121.6(4.72) A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.07 C 0.05 L 0.02 C Shift Assignments>> C :: 173.909 CA :: 49.904 CB :: 20.567 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.069 HA :: 5.276 HB :: 1.165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.06 Ave N Shift Values>> N :: 123.23(3.7) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.28 L 0.22 G 0.11 K 0.02 C Shift Assignments>> C :: 174.683 CA :: 54.818 CB :: 43.54 CG :: 28.607 CD1 :: 25.352 CD2 :: 26.747 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 :: 9.017 HA :: 5.019 HB2 :: 1.078 HB3 :: 1.672 HG :: 1.546 HD1 :: 0.5 HD2 :: 0.617 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 :: 131.185 Ave N Shift Values>> N :: 121.98(4.07) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 HN Overlap>> I44 C Shift Assignments>> C :: 175.741 CA :: 63.206 CB :: 32.653 CG1 :: 22.593 CG2 :: 21.546 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 :: 9.159 HA :: 4.595 HB :: 1.958 HG1 :: 0.871 HG2 :: 1.006 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 :: 128.555 Ave N Shift Values>> N :: 121.02(4.96) G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.122 CA :: 44.496 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.905 HA2 :: 3.966 HA3 :: 4.583 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.039 Ave N Shift Values>> N :: 109.91(4.29) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.25 C 0.04 L 0.03 C Shift Assignments>> C :: 174.819 CA :: 53.205 CB :: 20.061 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.86 HA :: 3.526 HB :: 1.199 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.768 Ave N Shift Values>> N :: 123.23(3.7) S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.38 CA :: 56.288 CB :: 64.93 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.452 HA :: 4.378 HB2 :: 3.361 HB3 :: 3.765 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 :: 115.06 Ave N Shift Values>> N :: 116.3(3.95) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.29 C 0.12 L 0.1 F 0.06 Y 0.05 K 0.02 C Shift Assignments>> C :: 175.2 CA :: 52.784 CB :: 40.268 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 :: 8.066 HA :: 4.606 HB2 :: 2.283 HB3 :: 2.974 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 :: 120.307 Ave N Shift Values>> N :: 120.73(4.2) K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.29 R 0.19 M 0.03 G 0.02 C Shift Assignments>> C :: 174.932 CA :: 52.761 CB :: 31.942 CG :: 24.549 CD :: 29.2 CE :: 42.26 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 :: 8.099 HA :: 4.471 HB2 :: 1.743 HB3 :: 1.743 HG2 :: 1.338 HG3 :: 1.396 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.954 HE3 :: 2.954 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 :: 123.281 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.76 CA :: 62.836 CB :: 31.815 CG :: 26.989 CD :: 50.66 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 :: 2.734(S) HB2 :: 1.569 HB3 :: 1.569 HG2 :: 1.446 HG3 :: 1.725 HD2 :: 3.462 HD3 :: 3.776 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) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 176.651 CA :: 53.003 CB :: 40.002 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 :: 7.805 HA :: 4.432 HB2 :: 2.455 HB3 :: 2.711 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 :: 112.999 Ave N Shift Values>> N :: 120.73(4.2) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.17 Q 0.13 K 0.11 R 0.1 W 0.1 E 0.06 M 0.06 L 0.02 C Shift Assignments>> C :: 175.567 CA :: 53.05 CB :: 29.376 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 :: 7.655 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 :: 120.972 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P28 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 :: 177.177 CA :: 65.887 CB :: 32.102 CG :: 27.771 CD :: 50.848 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 :: 4.224 HB2 :: 2.172 HB3 :: 2.583 HG2 :: 2.157 HG3 :: 2.339 HD2 :: 3.982 HD3 :: 3.982 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) S29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.306 CA :: 60.909 CB :: 61.254 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.186 HA :: 4.743 HB2 :: 2.329(S) HB3 :: 2.87 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 :: 110.629 Ave N Shift Values>> N :: 116.3(3.95) Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 176.75 CA :: 61.3 CB :: 39.18 CD1 :: 133.955 CD2 :: 133.955 CE1 :: 117.138 CE2 :: 117.138 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 :: 6.68 HA :: 3.799 HB2 :: 2.748 HB3 :: 3.129 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.632 HE2 :: 6.632 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 :: 125.246 Ave N Shift Values>> N :: 120.79(4.69) R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 180.252 CA :: 59.493 CB :: 29.851 CG :: 27.962 CD :: 43.451 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 :: 7.604 HA :: 3.901 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.625 HG3 :: 1.625 HD2 :: 3.141 HD3 :: 3.141 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.34 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> L10 C Shift Assignments>> C :: 176.677 CA :: 67.07 CB :: 31.215 CG1 :: 21.445 CG2 :: 24.503 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 :: 8.656 HA :: 3.518 HB :: 1.906 HG1 :: 0.905 HG2 :: 1.125 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 :: 120.851 Ave N Shift Values>> N :: 121.02(4.96) M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.19 C 0.16 W 0.13 I 0.12 P 0.11 R 0.07 E 0.07 H 0.04 K 0.03 Q 0.02 M 0.02 C Shift Assignments>> C :: 176.661 CA :: 61.123 CB :: 30.861 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.907 HA :: 3.488 HB2 :: 1.775 HB3 :: 1.984 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 :: 120.429 Ave N Shift Values>> N :: 120.1(3.88) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.18 W 0.12 K 0.1 R 0.08 M 0.07 E 0.07 H 0.05 Q 0.03 I 0.03 P 0.02 C Shift Assignments>> C :: 177.365 CA :: 59.876 CB :: 32.177 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 :: 3.682 HB2 :: 1.59 HB3 :: 1.86 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 :: 117.222 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 177.574 CA :: 62.109 CB :: 38.957 CD1 :: 132.623 CD2 :: 132.623 CE1 :: 117.977 CE2 :: 117.977 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 :: 7.718 HA :: 4.175 HB2 :: 2.993 HB3 :: 3.153 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 6.748 HE2 :: 6.748 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 :: 118.924 Ave N Shift Values>> N :: 120.79(4.69) L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.24 R 0.12 G 0.08 A 0.04 C Shift Assignments>> C :: 179.977 CA :: 57.807 CB :: 42.854 CG :: 26.3 CD1 :: 21.014 CD2 :: 25.636 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 :: 8.785 HA :: 3.775 HB2 :: 0.935 HB3 :: 1.902 HG :: 1.869 HD1 :: 0.271 HD2 :: 0.462 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 :: 117.486 Ave N Shift Values>> N :: 121.98(4.07) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 L 0.22 K 0.05 C Shift Assignments>> C :: 182.011 CA :: 57.701 CB :: 41.927 CG :: 26.509 CD1 :: 28.277 CD2 :: 23.624 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 :: 8.421 HA :: 4.381 HB2 :: 1.436 HB3 :: 2.017 HG :: 1.68 HD1 :: 0.917 HD2 :: 1.099 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 :: 121.014 Ave N Shift Values>> N :: 121.98(4.07) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.05 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 178.055 CA :: 57.062 CB :: 39.781 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 :: 8.376 HA :: 4.339 HB2 :: 2.511 HB3 :: 2.865 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 :: 122.958 Ave N Shift Values>> N :: 120.73(4.2) Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.25 Q 0.22 R 0.17 M 0.05 E 0.02 C Shift Assignments>> C :: 175.607 CA :: 54.809 CB :: 27.984 CG :: 32.794 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 :: 7.644 HA :: 3.964 HB2 :: 1.847 HB3 :: 2.431 HG2 :: 1.755 HG3 :: 1.978 HE21 :: 6.771 HE22 :: 7.094 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 :: 115.82 NE2 :: 114.352 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 175.102 CA :: 45.355 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.702 HA2 :: 3.599 HA3 :: 4.083 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.544 Ave N Shift Values>> N :: 109.91(4.29) Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.91 CA :: 59.415 CB :: 38.54 CD1 :: 133.203 CD2 :: 133.203 CE1 :: 117.722 CE2 :: 117.722 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 :: 7.771 HA :: 4.302 HB2 :: 2.305 HB3 :: 2.521 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 6.777 HE2 :: 6.777 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 :: 118.623 Ave N Shift Values>> N :: 120.79(4.69) H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.15 Q 0.14 K 0.12 R 0.1 W 0.1 E 0.08 M 0.05 L 0.02 C Shift Assignments>> C :: 173.469 CA :: 53.803 CB :: 29.321 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 :: 8.426 HA :: 5.121 HB2 :: 2.992 HB3 :: 3.424 HD2 :: 7.199 HE1 :: 7.784 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 :: 122.238 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 173.749 CA :: 60.713 CB :: 33.074 CG1 :: 22.872 CG2 :: 22.872 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 :: 7.165 HA :: 4.913 HB :: 1.71 HG1 :: 0.74 HG2 :: 0.74 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 :: 126.033 Ave N Shift Values>> N :: 121.02(4.96) I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.35 A 0.07 G 0.01 HN Overlap>> V19 C Shift Assignments>> C :: 173.851 CA :: 57.72 CB :: 41.776 CG1 :: 26.064 CG2 :: 17.709 CD1 :: 15.274 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 :: 9.206 HA :: 4.503 HB :: 1.511 HG2 :: 1.078 HG12 :: 0.936 HG13 :: 0.936 HD1 :: 0.48 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 :: 128.54 Ave N Shift Values>> N :: 121.6(4.72) P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.34 P 0.34 C 0.11 I 0.06 W 0.05 R 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 174.572 CA :: 62.574 CB :: 31.845 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 :: 4.656 HB2 :: 1.67 HB3 :: 1.928 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) V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 175.628 CA :: 60.405 CB :: 34.533 CG1 :: 20.303 CG2 :: 21.71 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 :: 8.542 HA :: 5.058 HB :: 1.718 HG1 :: 0.58 HG2 :: 0.67 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 :: 123.604 Ave N Shift Values>> N :: 121.02(4.96) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.899 CA :: 57.566 CB :: 64.448 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.68 HA :: 4.871 HB2 :: 4.135 HB3 :: 4.62 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 :: 123.122 Ave N Shift Values>> N :: 116.3(3.95) P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.54 P 0.33 I 0.05 C 0.05 C Shift Assignments>> C :: 178.423 CA :: 65.76 CB :: 32.017 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 :: 4.164 HB2 :: 1.966 HB3 :: 2.461 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) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.15 R 0.1 W 0.1 Q 0.09 H 0.07 E 0.07 V 0.04 C Shift Assignments>> C :: 177.704 CA :: 57.514 CB :: 32.534 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 :: 7.83 HA :: 4.138 HB2 :: 1.83 HB3 :: 1.83 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 :: 113.461 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 174.369 CA :: 59.812 CB :: 31.429 CG1 :: 20.794 CG2 :: 19.345 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 :: 7.335 HA :: 4.264 HB :: 2.156 HG1 :: 0.599 HG2 :: 0.728 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 :: 108.846 Ave N Shift Values>> N :: 121.02(4.96) A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.29 C 0.02 C Shift Assignments>> C :: 178.158 CA :: 53.295 CB :: 18.699 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.688 HA :: 3.355 HB :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.414 Ave N Shift Values>> N :: 123.23(3.7) G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 173.331 CA :: 45.968 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.982 HA2 :: 3.704 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.331 Ave N Shift Values>> N :: 109.91(4.29) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.37 R 0.12 M 0.01 G 0.01 C Shift Assignments>> C :: 174.498 CA :: 54.291 CB :: 34.617 CG :: 24.617 CD :: 28.859 CE :: 42.122 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 :: 7.751 HA :: 4.601 HB2 :: 1.498 HB3 :: 1.801 HG2 :: 1.184 HG3 :: 1.184 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.94 HE3 :: 2.94 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 :: 119.843 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.927 CA :: 60.518 CB :: 70.437 CG2 :: 21.104 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 :: 7.969 HA :: 4.862 HB :: 3.67 HG2 :: 0.885 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 :: 111.701 Ave N Shift Values>> N :: 115.7(5.05) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.33 C 0.19 R 0.05 A 0.01 C Shift Assignments>> C :: 175.025 CA :: 53.958 CB :: 44.826 CG :: 27.23 CD1 :: 26.647 CD2 :: 23.944 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 :: 8.973 HA :: 4.558 HB2 :: 1.205 HB3 :: 1.498 HG :: 1.388 HD1 :: 0.667 HD2 :: 0.95 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 :: 126.718 Ave N Shift Values>> N :: 121.98(4.07) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 A 0.03 C Shift Assignments>> C :: 177.507 CA :: 55.761 CB :: 39.74 CG :: 27.101 CD1 :: 24.886 CD2 :: 22.794 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 :: 9.519 HA :: 3.829 HB2 :: 1.496 HB3 :: 1.672 HG :: 1.224 HD1 :: 0.242 HD2 :: 0.739 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 :: 126.427 Ave N Shift Values>> N :: 121.98(4.07) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.873 CA :: 45.109 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.51 HA2 :: 3.477 HA3 :: 4.088 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.408 Ave N Shift Values>> N :: 109.91(4.29) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.22 K 0.19 M 0.16 R 0.04 E 0.02 P 0.02 C Shift Assignments>> C :: 174.896 CA :: 52.25 CB :: 29.873 CG :: 33.097 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 :: 8.156 HA :: 4.593 HB2 :: 1.929 HB3 :: 2.373 HG2 :: 2.327 HG3 :: 2.617 HE21 :: 7.323 HE22 :: 7.833 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 :: 119.419 NE2 :: 117.411 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 C 0.25 Q 0.21 R 0.15 M 0.06 E 0.03 C Shift Assignments>> C :: 175.461 CA :: 56.456 CB :: 28.544 CG :: 32.719 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 :: 8.513 HA :: 4.126 HB2 :: 1.856 HB3 :: 1.985 HG2 :: 2.183 HG3 :: 2.183 HE21 :: 6.405 HE22 :: 7.399 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 :: 124.363 NE2 :: 111.753 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.24 R 0.22 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.872 CA :: 44.245 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.503 HA2 :: 3.36 HA3 :: 4.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.791 Ave N Shift Values>> N :: 109.91(4.29) Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 C 0.39 G 0.21 HN Overlap>> L135 C Shift Assignments>> C :: 173.942 CA :: 57.021 CB :: 43.529 CD1 :: 133.675 CD2 :: 133.675 CE1 :: 118.251 CE2 :: 118.251 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 :: 7.789 HA :: 4.698 HB2 :: 2.242 HB3 :: 3.104 HD1 :: 6.934 HD2 :: 6.934 HE1 :: 6.762 HE2 :: 6.762 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 :: 117.238 Ave N Shift Values>> N :: 120.79(4.69) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.4 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 177.138 CA :: 55.14 CB :: 19.236 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.415 HA :: 3.903 HB :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.79 Ave N Shift Values>> N :: 123.23(3.7) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.3 A 0.03 C Shift Assignments>> C :: 175.303 CA :: 58.948 CB :: 73.669 CG2 :: 21.452 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 :: 7.477 HA :: 4.571 HB :: 4.328 HG2 :: 1.096 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 :: 102.617 Ave N Shift Values>> N :: 115.7(5.05) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.04 C Shift Assignments>> C :: 178.716 CA :: 57.516 CB :: 41.1 CG :: 26.773 CD1 :: 24.432 CD2 :: 26.002 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 :: 9.078 HA :: 3.832 HB2 :: 1.277 HB3 :: 1.729 HG :: 1.816 HD1 :: 0.684 HD2 :: 0.791 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 :: 121.678 Ave N Shift Values>> N :: 121.98(4.07) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 177.563 CA :: 54.107 CB :: 18.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.299 HA :: 3.826 HB :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.898 Ave N Shift Values>> N :: 123.23(3.7) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.24 C 0.11 D 0.1 K 0.07 G 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.666 CA :: 54.847 CB :: 43.293 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 :: 7.358 HA :: 4.373 HB2 :: 2.881 HB3 :: 3.027 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 :: 114.508 Ave N Shift Values>> N :: 120.73(4.2) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.248 CA :: 60.726 CB :: 31.289 CG1 :: 22.544 CG2 :: 22.544 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 :: 7.045 HA :: 2.783 HB :: 2.057 HG1 :: 0.776 HG2 :: 0.776 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 :: 120.792 Ave N Shift Values>> N :: 121.02(4.96) P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.514 CA :: 64.074 CB :: 30.855 CG :: 27.254 CD :: 51.325 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 :: 4.521 HB2 :: 1.92 HB3 :: 2.137 HG2 :: 1.831 HG3 :: 2.044 HD2 :: 2.981 HD3 :: 3.28 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) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.28 E 0.18 Q 0.01 C Shift Assignments>> C :: 174.418 CA :: 54.66 CB :: 32.891 CG :: 36.239 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 :: 6.776 HA :: 4.53 HB2 :: 1.744 HB3 :: 2.01 HG2 :: 1.942 HG3 :: 1.988 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 :: 117.251 Ave N Shift Values>> N :: 120.68(3.68) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.19 C Shift Assignments>> C :: 176.188 CA :: 56.31 CB :: 31.882 CG :: 24.864 CE :: 42.043 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 :: 8.35 HA :: 4.113 HB2 :: 1.723 HB3 :: 1.723 HG2 :: 1.408 HG3 :: 1.47 HE2 :: 2.979 HE3 :: 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 :: 120.423 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.099 CA :: 61.371 CB :: 34.48 CG1 :: 23.48 CG2 :: 21.644 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 :: 8.771 HA :: 3.764 HB :: 1.797 HG1 :: 0.661 HG2 :: 0.692 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 :: 123.772 Ave N Shift Values>> N :: 121.02(4.96) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.22 K 0.14 C 0.11 F 0.08 Y 0.06 D 0.06 G 0.02 C Shift Assignments>> C :: 174.352 CA :: 56.894 CB :: 42.874 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 :: 7.825 HA :: 4.875 HB2 :: 3.1 HB3 :: 3.273 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 :: 124.364 Ave N Shift Values>> N :: 120.73(4.2) M73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 K 0.04 E 0.04 M 0.04 C Shift Assignments>> C :: 172.839 CA :: 53.277 CB :: 39.263 CG :: 32.15 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.89 HA :: 5.218 HB2 :: 1.787 HB3 :: 1.876 HG2 :: 1.595 HG3 :: 2.387 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 :: 119.46 Ave N Shift Values>> N :: 120.1(3.88) V74 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 :: 172.375 CA :: 61.495 CB :: 32.623 CG1 :: 22.369 CG2 :: 22.369 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 :: 8.747 HA :: 4.57 HB :: 1.903 HG1 :: 0.789 HG2 :: 0.789 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 :: 128.283 Ave N Shift Values>> N :: 121.02(4.96) D75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 L 0.17 N 0.17 C 0.12 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 174.997 CA :: 51.944 CB :: 41.489 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 :: 9.24 HA :: 5.784(S) HB2 :: 1.919 HB3 :: 2.713 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 :: 130.539 Ave N Shift Values>> N :: 120.73(4.2) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 173.917 CA :: 64.287 CB :: 33.623 CG1 :: 22.714 CG2 :: 22.714 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 :: 9.551 HA :: 4.152 HB :: 2.379 HG1 :: 0.855 HG2 :: 0.855 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 :: 125.701 Ave N Shift Values>> N :: 121.02(4.96) F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.33 Y 0.3 C Shift Assignments>> C :: 175.974 CA :: 57.721 CB :: 38.174 CD1 :: 132.136 CD2 :: 132.136 CE1 :: 131.16 CE2 :: 131.16 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 :: 8.787 HA :: 4.518 HB2 :: 2.963 HB3 :: 3.215 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 7.074 HE2 :: 7.074 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 :: 127.384 Ave N Shift Values>> N :: 120.69(4.18) R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.28 G 0.01 C Shift Assignments>> C :: 173.076 CA :: 53.923 CB :: 32.557 CG :: 27.566 CD :: 42.164 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 :: 6.651 HA :: 4.555 HB2 :: 1.207 HB3 :: 2.012 HG2 :: 1.544 HG3 :: 1.544 HD2 :: 3.241 HD3 :: 3.301 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 :: 116.131 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 C Shift Assignments>> C :: 175.412 CA :: 52.899 CB :: 38.834 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 :: 8.014 HA :: 4.634 HB2 :: 2.994 HB3 :: 3.207 HD21 :: 6.963 HD22 :: 7.701 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 :: 114.15 ND2 :: 112.757 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S80 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 :: 176.362 CA :: 63.263 CB :: 62.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.667 HA :: 4.099 HB2 :: 3.885 HB3 :: 3.964 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 :: 113.919 Ave N Shift Values>> N :: 116.3(3.95) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.28 K 0.06 Q 0.01 C Shift Assignments>> C :: 178.768 CA :: 59.777 CB :: 28.837 CG :: 36.466 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 :: 8.818 HA :: 4.066 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.333 HG3 :: 2.333 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 :: 121.419 Ave N Shift Values>> N :: 120.68(3.68) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 179.034 CA :: 52.963 CB :: 19.012 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.953 HA :: 4.411 HB :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.491 Ave N Shift Values>> N :: 123.23(3.7) A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 C Shift Assignments>> C :: 177.297 CA :: 55.133 CB :: 18.54 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.956 HA :: 3.75 HB :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.652 Ave N Shift Values>> N :: 123.23(3.7) W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.36 H 0.01 C Shift Assignments>> C :: 176.527 CA :: 61.119 CB :: 29.007 CD1 :: 126.995 CE3 :: 119.573 CZ2 :: 114.867 CZ3 :: 122.804 CH2 :: 124.968 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 :: 7.175 HA :: 4.182 HB2 :: 3.303 HB3 :: 3.368 HD1 :: 7.037 HE1 :: 9.993 HE3 :: 7.171 HZ2 :: 7.413 HZ3 :: 6.957 HH2 :: 7.187 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 :: 117.441 NE1 :: 129.533 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.04 C Shift Assignments>> C :: 177.03 CA :: 46.997 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.406 HA2 :: 3.724 HA3 :: 3.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.382 Ave N Shift Values>> N :: 109.91(4.29) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.364 CA :: 65.647 CB :: 31.094 CG1 :: 23.511 CG2 :: 22.802 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 :: 7.554 HA :: 3.814 HB :: 1.791 HG1 :: 0.852 HG2 :: 0.975 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 :: 119.231 Ave N Shift Values>> N :: 121.02(4.96) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.29 I 0.05 C 0.03 C Shift Assignments>> C :: 178.729 CA :: 55.59 CB :: 18.165 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.352 HA :: 3.745 HB :: 1.319 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.681 Ave N Shift Values>> N :: 123.23(3.7) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.22 Q 0.21 E 0.11 R 0.06 I 0.04 M 0.01 P 0.01 HN Overlap>> R124 C Shift Assignments>> C :: 179.618 CA :: 59.401 CB :: 28.33 CG :: 33.957 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 :: 7.261 HA :: 3.68 HB2 :: 1.848 HB3 :: 2.083 HG2 :: 1.717 HG3 :: 1.809 HE21 :: 6.318 HE22 :: 6.471 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 :: 114.052 NE2 :: 110.793 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.28 I 0.15 M 0.06 C Shift Assignments>> C :: 178.204 CA :: 59.552 CB :: 31.803 CG :: 37.279 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 :: 7.81 HA :: 3.964 HB2 :: 1.966 HB3 :: 2.27 HG2 :: 2.084 HG3 :: 2.486 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 :: 120.961 Ave N Shift Values>> N :: 120.68(3.68) A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 178.645 CA :: 54.596 CB :: 18.253 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.819 HA :: 3.773 HB :: 1.229 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.627 Ave N Shift Values>> N :: 123.23(3.7) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 179.961 CA :: 65.17 CB :: 39.181 CG1 :: 29.398 CG2 :: 16.905 CD1 :: 14.352 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 :: 7.997 HA :: 3.498 HB :: 1.701 HG2 :: 0.806 HG12 :: 0.742 HG13 :: 1.746 HD1 :: 0.563 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 :: 117.785 Ave N Shift Values>> N :: 121.6(4.72) A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 180.074 CA :: 55.233 CB :: 18.184 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.711 HA :: 4.079 HB :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.788 Ave N Shift Values>> N :: 123.23(3.7) I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.986 CA :: 61.463 CB :: 38.128 CG1 :: 26.472 CG2 :: 17.055 CD1 :: 15.648 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 :: 7.529 HA :: 4.438 HB :: 2.168 HG2 :: 0.802 HG12 :: 1.296 HG13 :: 1.504 HD1 :: 0.728 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 :: 107.729 Ave N Shift Values>> N :: 121.6(4.72) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 175.363 CA :: 46.565 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.847 HA2 :: 3.84 HA3 :: 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 :: 111.451 Ave N Shift Values>> N :: 109.91(4.29) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 175.058 CA :: 52.203 CB :: 18.757 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.539 HA :: 4.532 HB :: 1.082 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.99 Ave N Shift Values>> N :: 123.23(3.7) K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 177.864 CA :: 57.338 CB :: 33.609 CG :: 25.203 CD :: 29.087 CE :: 42.452 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 :: 8.154 HA :: 4.506 HB2 :: 1.938 HB3 :: 2.015 HG2 :: 1.578 HG3 :: 1.708 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.066 HE3 :: 3.066 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 :: 116.442 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.372 CA :: 61.212 CB :: 72.113 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 :: 7.978 HA :: 5.131 HB :: 3.575 HG2 :: 1.116 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 :: 114.537 Ave N Shift Values>> N :: 115.7(5.05) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.2 C 0.19 R 0.03 C Shift Assignments>> C :: 171.284 CA :: 53.319 CB :: 44.99 CG :: 26.945 CD1 :: 26.541 CD2 :: 26.541 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 :: 9.228 HA :: 4.75 HB2 :: 0.87 HB3 :: 1.94 HG :: 1.289 HD1 :: 0.661 HD2 :: 0.661 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 :: 130.101 Ave N Shift Values>> N :: 121.98(4.07) W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 W 0.24 H 0.02 C Shift Assignments>> C :: 174.102 CA :: 55.421 CB :: 30.133 CD1 :: 127.991 CE3 :: 121.244 CZ2 :: 112.796 CZ3 :: 119.524 CH2 :: 121.386 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 :: 9.584 HA :: 5.113 HB2 :: 2.592 HB3 :: 3.311 HD1 :: 6.461 HE1 :: 9.401 HE3 :: 7.334 HZ2 :: 6.455 HZ3 :: 6.608 HH2 :: 6.581 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 :: 131.047 NE1 :: 131.123 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.31 R 0.02 C Shift Assignments>> C :: 175.263 CA :: 54.612 CB :: 40.967 CG :: 27.621 CD1 :: 24.748 CD2 :: 24.748 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 :: 9.384 HA :: 4.629 HB2 :: 1.869 HB3 :: 1.913 HG :: 1.636 HD1 :: 0.725 HD2 :: 0.725 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 :: 129.322 Ave N Shift Values>> N :: 121.98(4.07) Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.13 W 0.12 E 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 174.175 CA :: 56.044 CB :: 30.186 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 :: 6.694 HA :: 4.687 HB2 :: 1.728 HB3 :: 2.126 HE21 :: 7.858 HE22 :: 8.374 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 :: 119.284 NE2 :: 110.137 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 A 0.05 R 0.03 C Shift Assignments>> C :: 178.869 CA :: 55.86 CB :: 41.264 CG :: 26.689 CD1 :: 22.273 CD2 :: 25.36 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 :: 6.415 HA :: 4.087 HB2 :: 1.316 HB3 :: 1.738 HG :: 1.409 HD1 :: 0.637 HD2 :: 0.878 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 :: 115.173 Ave N Shift Values>> N :: 121.98(4.07) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.394 CA :: 45.202 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.867 HA2 :: 3.509 HA3 :: 4.072 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.651 Ave N Shift Values>> N :: 109.91(4.29) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 172.568 CA :: 62.063 CB :: 29.411 CG1 :: 21.118 CG2 :: 21.118 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 :: 8.277 HA :: 4.041 HB :: 2.535 HG1 :: 0.742 HG2 :: 0.742 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 :: 125.573 Ave N Shift Values>> N :: 121.02(4.96) I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 175.57 CA :: 60.054 CB :: 41.65 CG1 :: 27.968 CG2 :: 17.03 CD1 :: 13.618 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 :: 7.867 HA :: 4.25 HB :: 1.604 HG2 :: 0.794 HG12 :: 1.247 HG13 :: 1.247 HD1 :: 0.734 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 :: 122.736 Ave N Shift Values>> N :: 121.6(4.72) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.23 C 0.14 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> C :: 173.732 CA :: 52.886 CB :: 39.245 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 :: 7.274 HA :: 4.7 HB2 :: 2.65 HB3 :: 2.65 HD21 :: 7.406 HD22 :: 7.955 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 :: 123.942 ND2 :: 113.274 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 E 0.13 K 0.11 I 0.11 Q 0.1 H 0.09 R 0.09 M 0.02 V 0.02 C Shift Assignments>> C :: 178.106 CA :: 59.189 CB :: 29.184 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 :: 9.253 HA :: 4.043 HB2 :: 1.938 HB3 :: 1.938 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 :: 126.345 Ave N Shift Values>> N :: 120.68(3.68) Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.15 I 0.15 K 0.14 Q 0.13 R 0.02 P 0.01 HN Overlap>> V111 C Shift Assignments>> C :: 179.437 CA :: 59.671 CB :: 27.609 CG :: 34.978 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 :: 8.198 HA :: 4.075 HB2 :: 2.066 HB3 :: 2.227 HG2 :: 2.352 HG3 :: 2.352 HE21 :: 6.698 HE22 :: 7.299 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 :: 118.073 NE2 :: 112.244 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 177.717 CA :: 54.534 CB :: 17.465 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.255 HA :: 4.04 HB :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.858 Ave N Shift Values>> N :: 123.23(3.7) A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 179.176 CA :: 55.4 CB :: 17.866 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.85 HA :: 3.907 HB :: 1.521 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.765 Ave N Shift Values>> N :: 123.23(3.7) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> Q108 C Shift Assignments>> C :: 177.74 CA :: 66.89 CB :: 32.108 CG1 :: 21.036 CG2 :: 23.132 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 :: 8.161 HA :: 3.532 HB :: 2.094 HG1 :: 0.933 HG2 :: 1.102 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 :: 118.154 Ave N Shift Values>> N :: 121.02(4.96) L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.04 G 0.04 C Shift Assignments>> C :: 179.511 CA :: 58.053 CB :: 42.657 CG :: 25.989 CD1 :: 25.192 CD2 :: 23.53 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 :: 7.558 HA :: 3.967 HB2 :: 1.663 HB3 :: 1.701 HG :: 1.233 HD1 :: 0.144 HD2 :: 0.79 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 :: 120.25 Ave N Shift Values>> N :: 121.98(4.07) A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 178.931 CA :: 55.205 CB :: 18.114 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.043 HA :: 3.914 HB :: 1.246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.863 Ave N Shift Values>> N :: 123.23(3.7) R114 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 182.197(M) CA :: 59.534 CB :: 30.066 CG :: 27.751 CD :: 43.455 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 :: 8.754 HA :: 4.478 HB2 :: 1.825 HB3 :: 1.915 HG2 :: 1.633 HG3 :: 1.818 HD2 :: 3.136 HD3 :: 3.136 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 :: 119.66 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.34 E 0.25 K 0.03 C Shift Assignments>> C :: 177.679 CA :: 59.346 CB :: 28.528 CG :: 37.217 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 :: 8.687 HA :: 3.99 HB2 :: 2.035 HB3 :: 2.15 HG2 :: 2.256 HG3 :: 2.522 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 :: 121.292 Ave N Shift Values>> N :: 120.68(3.68) A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 177.2 CA :: 52.139 CB :: 19.68 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.251 HA :: 4.409 HB :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 123.23(3.7) G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.328 CA :: 45.02 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.859 HA2 :: 3.683 HA3 :: 4.284 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.29 Ave N Shift Values>> N :: 109.91(4.29) L118 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.2 C Shift Assignments>> C :: 178.258 CA :: 57.39 CB :: 41.059 CG :: 31.544(S) CD1 :: 27.475 CD2 :: 25.646 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 :: 8.068 HA :: 4.414 HB2 :: 1.145 HB3 :: 1.474 HG :: 1.663 HD1 :: 0.407 HD2 :: 0.796 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 :: 124.034 Ave N Shift Values>> N :: 121.98(4.07) S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.416 CA :: 58.732 CB :: 63.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.373 HA :: 4.6 HB2 :: 3.716 HB3 :: 3.807 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 :: 115.84 Ave N Shift Values>> N :: 116.3(3.95) V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 I 0.01 C Shift Assignments>> C :: 174.465 CA :: 60.908 CB :: 34.732 CG1 :: 20.703 CG2 :: 23.092 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 :: 8.601 HA :: 5.208 HB :: 1.726 HG1 :: 0.741 HG2 :: 0.922 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 :: 123.391 Ave N Shift Values>> N :: 121.02(4.96) V121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 V 0.45 I 0.01 C Shift Assignments>> C :: 173.452 CA :: 60.647 CB :: 34.952 CG1 :: 19.656 CG2 :: 21.355 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 :: 8.506 HA :: 3.704 HB :: 0.547(S) HG1 :: -0.799(S) HG2 :: 0.247 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 :: 129.434 Ave N Shift Values>> N :: 121.02(4.96) M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.31 M 0.18 K 0.01 I 0.01 C Shift Assignments>> C :: 174.06 CA :: 54.47 CB :: 37.001 CG :: 31.423 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 :: 8.118 HA :: 5.051 HB2 :: 1.832 HB3 :: 2.177 HG2 :: 2.161 HG3 :: 2.469 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 :: 123.446 Ave N Shift Values>> N :: 120.1(3.88) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.21 C 0.15 Y 0.13 F 0.12 L 0.08 K 0.01 I 0.01 C Shift Assignments>> C :: 174.523 CA :: 54.723 CB :: 39.58 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 :: 7.437 HA :: 4.428 HB2 :: 1.901 HB3 :: 3.099 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 :: 122.097 Ave N Shift Values>> N :: 120.73(4.2) R124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 K 0.16 G 0.06 R 0.01 HN Overlap>> Q88 C Shift Assignments>> C :: 175.004 CA :: 53.515 CB :: 36.671(S) CG :: 27.546 CD :: 42.479 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 :: 7.262 HA :: 4.713 HB2 :: 0.817(S) HB3 :: 1.632 HG2 :: 1.011 HG3 :: 1.425 HD2 :: 2.841 HD3 :: 3.166 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 :: 114.023 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.12 R 0.08 W 0.08 H 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 176.727 CA :: 56.474 CB :: 32.751 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.929 HA :: 5.456 HB2 :: 2.691 HB3 :: 2.902 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 :: 126.734 Ave N Shift Values>> N :: 119.95(4.79) P126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.92 P 0.03 S 0.03 C Shift Assignments>> C :: 176.853 CA :: 65.97 CB :: 31.95 CG :: 25.872 CD :: 53.263 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 :: 3.87 HB2 :: 1.069 HB3 :: 1.304 HG2 :: 0.359(S) HG3 :: 1.292 HD2 :: 3.354 HD3 :: 4.481 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) A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 177.509 CA :: 53.971 CB :: 17.986 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.737 HA :: 3.942 HB :: 1.027 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.638 Ave N Shift Values>> N :: 123.23(3.7) I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 179.123 CA :: 62.841 CB :: 38.366 CG1 :: 28.055 CG2 :: 17.095 CD1 :: 12.8 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 :: 7.269 HA :: 3.896 HB :: 2.4 HG2 :: 0.827 HG12 :: 1.036 HG13 :: 1.667 HD1 :: 0.895 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 :: 118.223 Ave N Shift Values>> N :: 121.6(4.72) E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.13 H 0.11 Q 0.09 K 0.06 M 0.05 I 0.04 V 0.03 C Shift Assignments>> C :: 177.494 CA :: 58.476 CB :: 30.37 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 :: 8.521 HA :: 4.145 HB2 :: 1.728 HB3 :: 2.32 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 :: 117.694 Ave N Shift Values>> N :: 120.68(3.68) L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 L 0.08 C Shift Assignments>> C :: 176.543 CA :: 60.9 CB :: 39.559 CG :: 28.159 CD1 :: 26.572 CD2 :: 26.127 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 :: 8.43 HA :: 4.078 HB2 :: 1.639 HB3 :: 2.171 HG :: 1.649 HD1 :: 0.973 HD2 :: 1.048 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 :: 116.974 Ave N Shift Values>> N :: 121.98(4.07) P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.11 R 0.01 C Shift Assignments>> C :: 180.56 CA :: 65.428 CB :: 30.059 CG :: 27.231 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 :: 4.479 HB2 :: 1.912 HB3 :: 2.132 HG2 :: 1.943 HG3 :: 2.054 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) R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.38 G 0.09 K 0.06 C Shift Assignments>> C :: 178.362 CA :: 59.682 CB :: 30.493 CG :: 26.577 CD :: 43.403 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 :: 7.293 HA :: 4.034 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.592 HG3 :: 1.662 HD2 :: 3.254 HD3 :: 3.254 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 :: 120.587 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 A 0.09 G 0.04 K 0.02 C Shift Assignments>> C :: 177.224 CA :: 54.723 CB :: 42.643 CD1 :: 25.586 CD2 :: 22.323 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 :: 7.939 HA :: 4.289 HB2 :: 1.617 HB3 :: 1.747 HD1 :: 0.823 HD2 :: 0.899 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 :: 116.447 Ave N Shift Values>> N :: 121.98(4.07) G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.252 CA :: 46.351 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.778 HA2 :: 3.965 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.594 Ave N Shift Values>> N :: 109.91(4.29) L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.26 G 0.18 A 0.1 K 0.01 HN Overlap>> Y61 C Shift Assignments>> C :: 176.628 CA :: 54.394 CB :: 43.559 CD1 :: 22.518 CD2 :: 25.796 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 :: 7.794 HA :: 4.332 HB2 :: 1.588 HB3 :: 1.672 HD1 :: 0.765 HD2 :: 0.89 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 :: 117.318 Ave N Shift Values>> N :: 121.98(4.07) A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.14 C 0.03 L 0.01 C Shift Assignments>> C :: 177.174 CA :: 51.784 CB :: 19.787 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.361 HA :: 4.202 HB :: 1.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.632 Ave N Shift Values>> N :: 123.23(3.7) K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.03 C Shift Assignments>> C :: 176.761 CA :: 56.239 CB :: 32.709 CG :: 24.709 CD :: 28.807 CE :: 42.15 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 :: 9.09 HA :: 4.229 HB2 :: 1.641 HB3 :: 1.723 HG2 :: 1.335 HG3 :: 1.398 HD2 :: 1.54 HD3 :: 1.565 HE2 :: 2.874 HE3 :: 2.874 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 :: 122.633 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 176.923 CA :: 55.035 CB :: 42.374 CG :: 26.822 CD1 :: 23.721 CD2 :: 24.81 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 :: 8.408 HA :: 4.258 HB2 :: 1.432 HB3 :: 1.504 HG :: 1.528 HD1 :: 0.77 HD2 :: 0.818 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 :: 124.197 Ave N Shift Values>> N :: 121.98(4.07) E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.08 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.886 CA :: 56.429 CB :: 30.327 CG :: 36.148 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 :: 8.336 HA :: 4.154 HB2 :: 1.771 HB3 :: 1.845 HG2 :: 2.071 HG3 :: 2.13 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 :: 121.562 Ave N Shift Values>> N :: 120.68(3.68) H140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.13 C 0.13 M 0.12 W 0.12 E 0.11 K 0.09 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.935 CA :: 56.243 CB :: 31.092 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 :: 8.217 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 :: 120.101 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 145 #Suspicious: 0 C Shift Results: #Consistent: 584 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 739 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: P25 HA = 2.734(S), Expected = 4.41, Std = 0.3600, ChiSquare = 3.2311e-06 S29 HB2 = 2.329(S), Expected = 3.88, Std = 0.2900, ChiSquare = 8.8796e-08 D75 HA = 5.784(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.5242e-04 R114 C = 182.197(M), Expected = 176.49, Std = 2.1600, ChiSquare = 8.2387e-03 L118 Typing: Suspicious L118 CG = 31.544(S), Expected = 26.77, Std = 1.2500, ChiSquare = 1.3389e-04 V121 HB = 0.547(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.2270e-05 V121 HG1 = -0.799(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.2762e-09 R124 CB = 36.671(S), Expected = 30.66, Std = 1.7700, ChiSquare = 6.8367e-04 R124 HB2 = 0.817(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.1085e-04 P126 HG2 = 0.359(S), Expected = 1.93, Std = 0.3600, ChiSquare = 1.2777e-05