M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.42 Q 0.27 E 0.19 K 0.08 C Shift Assignments>> C :: 174.384 CA :: 55.944 CB :: 34.079 CG :: 31.584 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 :: 4.187 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.503 HG3 :: 2.466 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) I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.431 CA :: 60.519 CB :: 41.035 CG1 :: 27.207 CG2 :: 17.449 CD1 :: 13.538 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 :: 8.63 HA :: 4.432 HB :: 1.686 HG2 :: 0.741 HG12 :: 1.383 HG13 :: 0.976 HD1 :: 0.714 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 :: 121.005 Ave N Shift Values>> N :: 121.6(4.72) G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.23 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.08 CA :: 44.486 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.518 HA2 :: 4.976 HA3 :: 3.536 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.256 Ave N Shift Values>> N :: 109.91(4.29) V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.079 CA :: 61.596 CB :: 35.801 CG1 :: 21.331 CG2 :: 21.331 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 :: 8.683 HA :: 4.234 HB :: 1.694 HG1 :: 0.829 HG2 :: 0.745 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 :: 124.305 Ave N Shift Values>> N :: 121.02(4.96) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.22 R 0.17 A 0.02 C Shift Assignments>> C :: 174.951 CA :: 53.639 CB :: 43.819 CG :: 27.949 CD1 :: 25.692 CD2 :: 23.76 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 :: 8.638 HA :: 5.119 HB2 :: 1.783 HB3 :: 1.367 HG :: 1.306 HD1 :: 0.885 HD2 :: 0.787 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 :: 130.288 Ave N Shift Values>> N :: 121.98(4.07) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.21 A 0.04 K 0.02 C Shift Assignments>> C :: 174.891 CA :: 52.93 CB :: 43.404 CG :: 25.761 CD1 :: 23.613 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 :: 9.022 HA :: 4.837 HB2 :: 1.951 HB3 :: 1.278 HG :: 1.577 HD1 :: 0.798 HD2 :: 0.749 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 :: 125.918 Ave N Shift Values>> N :: 121.98(4.07) M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.33 Q 0.09 K 0.03 C Shift Assignments>> C :: 175.222 CA :: 53.947 CB :: 35.602 CG :: 31.916 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 :: 8.743 HA :: 5.202 HB2 :: 2.031 HB3 :: 1.847 HG2 :: 2.433 HG3 :: 2.433 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 :: 122.193 Ave N Shift Values>> N :: 120.1(3.88) K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.24 M 0.24 E 0.06 R 0.06 H 0.06 V 0.04 Y 0.01 C Shift Assignments>> C :: 176.887 CA :: 56.816 CB :: 33.579 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 :: 8.481 HA :: 4.311 HB2 :: 1.848 HB3 :: 1.558 HG2 :: 1.184 HG3 :: 1.184 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 :: 123.912 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.346 CA :: 59.012 CB :: 64.911 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.638 HA :: 4.572 HB2 :: 4.022 HB3 :: 3.906 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.657 Ave N Shift Values>> N :: 116.3(3.95) R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.29 G 0.14 C Shift Assignments>> C :: 176.532 CA :: 55.483 CB :: 32.494 CD :: 43.423 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 :: 7.947 HA :: 4.525 HB2 :: 1.962 HB3 :: 1.686 HG2 :: 1.607 HG3 :: 1.607 HD2 :: 3.197 HD3 :: 3.197 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 :: 119.865 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.41 I 0.01 HN Overlap>> L78 C Shift Assignments>> C :: 177.877 CA :: 54.25 CB :: 18.73 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.889 HA :: 4.05 HB :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.681 Ave N Shift Values>> N :: 123.23(3.7) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 Y 0.1 E 0.08 D 0.08 F 0.06 M 0.05 K 0.01 L 0.01 C Shift Assignments>> C :: 175.344 CA :: 53.173 CB :: 37.3 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 :: 8.034 HA :: 4.529 HB2 :: 2.902 HB3 :: 2.817 HD21 :: 7.476 HD22 :: 6.759 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 :: 112.349 ND2 :: 111.118 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.19 I 0.1 K 0.02 C Shift Assignments>> C :: 175.108 CA :: 56.677 CB :: 31.18 CG :: 37.348 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 :: 7.684 HA :: 4.183 HB2 :: 1.989 HB3 :: 1.853 HG2 :: 2.231 HG3 :: 2.231 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 :: 120.408 Ave N Shift Values>> N :: 120.68(3.68) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 H 0.19 R 0.17 K 0.15 Q 0.09 E 0.08 HN Overlap>> I49 C Shift Assignments>> C :: 174.081 CA :: 53.951 CB :: 31.632 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 :: 8.315 HA :: 4.485 HB2 :: 2.191 HB3 :: 1.807 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.187 Ave N Shift Values>> N :: 120.68(3.68) Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.2 F 0.15 E 0.07 V 0.02 C Shift Assignments>> C :: 177.31 CA :: 61.337 CB :: 37.472 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 :: 8.907 HA :: 4.29 HB2 :: 3.095 HB3 :: 2.838 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 6.6 HE2 :: 6.6 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 :: 124.13 Ave N Shift Values>> N :: 120.79(4.69) G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 A 0.09 N 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 174.401 CA :: 47.816 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.562 HA2 :: 4.077 HA3 :: 3.862 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.863 Ave N Shift Values>> N :: 109.91(4.29) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.32 R 0.01 C Shift Assignments>> C :: 174.851 CA :: 53.736 CB :: 45.296 CG :: 26.739 CD1 :: 25.789 CD2 :: 25.789 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 :: 7.674 HA :: 4.782 HB2 :: 1.318 HB3 :: 1.318 HG :: 0.643 HD1 :: 0.619 HD2 :: 0.538 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 :: 119.134 Ave N Shift Values>> N :: 121.98(4.07) R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.16 K 0.14 HN Overlap>> L78 C Shift Assignments>> C :: 175.316 CA :: 54.746 CB :: 31.438 CG :: 27.134 CD :: 43.564 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 :: 8.717 HA :: 4.786 HB2 :: 1.788 HB3 :: 1.723 HG2 :: 1.614 HG3 :: 1.418 HD2 :: 3.08 HD3 :: 3.08 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 :: 124.652 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.29 A 0.09 R 0.03 C Shift Assignments>> C :: 176.002 CA :: 53.51 CB :: 44.098 CG :: 26.608 CD1 :: 25.371 CD2 :: 22.661 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 :: 8.974 HA :: 4.785 HB2 :: 1.609 HB3 :: 1.276 HG :: 1.286 HD1 :: 0.7 HD2 :: 0.475 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 :: 125.679 Ave N Shift Values>> N :: 121.98(4.07) G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.26 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.772 CA :: 44.212 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.255 HA2 :: 4.471 HA3 :: 3.024 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.431 Ave N Shift Values>> N :: 109.91(4.29) S21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.73 S 0.26 C Shift Assignments>> C :: 173.76 CA :: 57.114 CB :: 67.732 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.591 HA :: 6.052(S) HB2 :: 4.015 HB3 :: 3.578 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 :: 112.698 Ave N Shift Values>> N :: 116.3(3.95) Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.15 K 0.05 E 0.02 R 0.01 C Shift Assignments>> C :: 174.264 CA :: 53.707 CB :: 32.049 CG :: 32.543 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.385 HA :: 5.116 HB2 :: 2.112 HB3 :: 1.918 HG2 :: 2.343 HG3 :: 2.21 HE21 :: 6.782 HE22 :: 6.094 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 :: 120.509 NE2 :: 107.284 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 A 0.33 M 0.01 C Shift Assignments>> C :: 174.688 CA :: 57.516 CB :: 37.696 CG1 :: 27.695 CG2 :: 19.692 CD1 :: 10.118 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 :: 8.983 HA :: 5.075 HB :: 1.96 HG2 :: 0.919 HG12 :: 1.807 HG13 :: 1.308 HD1 :: 0.724 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 :: 123.185 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>> L 0.35 R 0.24 G 0.23 D 0.08 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.603 CA :: 54.43 CB :: 44.056 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.766 HA :: 5.787 HB2 :: 2.825 HB3 :: 2.588 HD1 :: 6.788 HD2 :: 6.788 HE1 :: 7.162 HE2 :: 7.162 HZ :: 7.339 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 :: 122.769 Ave N Shift Values>> N :: 120.69(4.18) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.141 CA :: 63.292 CB :: 31.494 CG1 :: 21.992 CG2 :: 21.992 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 :: 8.886 HA :: 3.629 HB :: 2.41 HG1 :: 0.923 HG2 :: 0.712 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 :: 119.076 Ave N Shift Values>> N :: 121.02(4.96) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.03 G 0.02 C Shift Assignments>> C :: 175.498 CA :: 57.208 CB :: 33.268 CG :: 24.863 CD :: 28.92 CE :: 42.389 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 :: 8.503 HA :: 4.35 HB2 :: 1.398 HB3 :: 1.014 HG2 :: 1.381 HG3 :: 1.294 HD2 :: 1.66 HD3 :: 1.66 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 :: 133.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.33 Q 0.01 C Shift Assignments>> C :: 173.739 CA :: 55.123 CB :: 34.489 CG :: 36.382 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 :: 7.78 HA :: 4.617 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 2.184 HG3 :: 1.975 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 :: 114.814 Ave N Shift Values>> N :: 120.68(3.68) M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 E 0.41 Q 0.05 K 0.02 C Shift Assignments>> C :: 176.271 CA :: 54.002 CB :: 36.08 CG :: 31.828 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 :: 9.102 HA :: 5.246 HB2 :: 2.147 HB3 :: 1.797 HG2 :: 2.176 HG3 :: 2.068 HE :: 1.886 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 :: 123.453 Ave N Shift Values>> N :: 120.1(3.88) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.932 CA :: 61.155 CB :: 69.331 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 :: 8.421 HA :: 4.432 HG2 :: 1.144 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 :: 114.001 Ave N Shift Values>> N :: 115.7(5.05) R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.64 K 0.2 G 0.08 I 0.06 C Shift Assignments>> C :: 177.451 CA :: 59.104 CB :: 30.349 CD :: 43.043 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>> HA :: 4.182 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 1.806 HG3 :: 1.751 HD2 :: 3.267 HD3 :: 3.267 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) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.088 CA :: 60.999 CB :: 69.203 CG2 :: 21.694 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 :: 7.444 HA :: 4.406 HB :: 4.524 HG2 :: 1.177 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 :: 103.044 Ave N Shift Values>> N :: 115.7(5.05) G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 173.69 CA :: 45.157 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.169 HA2 :: 4.194 HA3 :: 3.721 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.826 Ave N Shift Values>> N :: 109.91(4.29) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 G 0.25 K 0.03 C Shift Assignments>> C :: 179.281 CA :: 57.253 CB :: 43.788 CD1 :: 25.993 CD2 :: 23.267 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 :: 8.478 HA :: 4.069 HB2 :: 1.774 HB3 :: 1.641 HD1 :: 0.926 HD2 :: 0.726 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 :: 117.278 Ave N Shift Values>> N :: 121.98(4.07) A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.06 V 0.01 C Shift Assignments>> C :: 180.377 CA :: 55.724 CB :: 18.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.662 HA :: 4.094 HB :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.214 Ave N Shift Values>> N :: 123.23(3.7) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.775 CA :: 65.683 CB :: 68.61 CG2 :: 22.717 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 :: 8.615 HA :: 3.923 HB :: 4.086 HG2 :: 1.233 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 :: 118.689 Ave N Shift Values>> N :: 115.7(5.05) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.28 M 0.03 G 0.01 C Shift Assignments>> C :: 177.863 CA :: 59.208 CB :: 32.496 CG :: 25.089 CD :: 29.187 CE :: 42.086 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 :: 7.501 HA :: 3.932 HB2 :: 1.894 HB3 :: 1.836 HG2 :: 1.54 HG3 :: 1.429 HD2 :: 1.647 HD3 :: 1.565 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.236 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.26 G 0.1 F 0.07 K 0.06 Y 0.05 D 0.03 C Shift Assignments>> C :: 177.403 CA :: 57.297 CB :: 43.684 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 :: 8.001 HA :: 4.369 HB2 :: 2.737 HB3 :: 2.603 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 :: 118.079 Ave N Shift Values>> N :: 120.73(4.2) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.637 CA :: 46.348 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.392 HA2 :: 4.094 HA3 :: 3.903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.293 Ave N Shift Values>> N :: 109.91(4.29) N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 K 0.12 N 0.08 R 0.02 I 0.01 C Shift Assignments>> C :: 175.176 CA :: 55.567 CB :: 40.654 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 :: 8.327 HA :: 4.662 HB2 :: 2.83 HB3 :: 2.393 HD21 :: 8.468 HD22 :: 6.913 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.417 ND2 :: 118.152 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.46 R 0.04 C Shift Assignments>> C :: 175.269 CA :: 54.45 CB :: 44.678 CG :: 26.799 CD1 :: 25.756 CD2 :: 25.756 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 :: 8.592 HA :: 4.173 HB2 :: 1.57 HB3 :: 1.357 HG :: 1.703 HD1 :: 0.851 HD2 :: 0.758 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 :: 120.445 Ave N Shift Values>> N :: 121.98(4.07) H41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 H 0.19 K 0.16 R 0.16 Q 0.07 E 0.06 C Shift Assignments>> C :: 174.699 CA :: 52.971 CB :: 31.95 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 :: 8.995 HA :: 4.845 HB2 :: 3.121 HB3 :: 3.075 HD2 :: 7.034 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 :: 119.809 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.35 K 0.03 C Shift Assignments>> C :: 177.495 CA :: 59.129 CB :: 28.654 CG :: 37.746 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 :: 8.987 HA :: 3.701 HB2 :: 1.919 HB3 :: 1.919 HG2 :: 2.111 HG3 :: 2.299 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 :: 121.937 Ave N Shift Values>> N :: 120.68(3.68) G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 R 0.07 F 0.01 C Shift Assignments>> C :: 174.049 CA :: 45.034 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.696 HA2 :: 4.467 HA3 :: 3.52 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.693 Ave N Shift Values>> N :: 109.91(4.29) D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.2 K 0.18 F 0.15 Y 0.12 N 0.04 R 0.04 I 0.01 C Shift Assignments>> C :: 175.853 CA :: 55.865 CB :: 41.097 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 :: 7.911 HA :: 4.56 HB2 :: 2.725 HB3 :: 2.332 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 :: 121.36 Ave N Shift Values>> N :: 120.73(4.2) I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.138 CA :: 60.454 CB :: 38.522 CG1 :: 28.228 CG2 :: 17.592 CD1 :: 12.382 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 :: 8.628 HA :: 4.346 HB :: 1.872 HG2 :: 0.78 HG12 :: 1.587 HG13 :: 1.125 HD1 :: 0.72 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 :: 122.47 Ave N Shift Values>> N :: 121.6(4.72) I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.827 CA :: 60.139 CB :: 38.06 CG1 :: 27.548 CG2 :: 19.331 CD1 :: 13.377 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 :: 8.697 HA :: 4.192 HB :: 1.596 HG2 :: 0.764 HG12 :: 1.433 HG13 :: 0.939 HD1 :: 0.609 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 :: 127.296 Ave N Shift Values>> N :: 121.6(4.72) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.25 R 0.11 A 0.02 C Shift Assignments>> C :: 178.432 CA :: 55.793 CB :: 44.093 CG :: 27.048 CD1 :: 25.472 CD2 :: 23.141 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 :: 9.173 HA :: 4.436 HB2 :: 1.529 HB3 :: 1.43 HG :: 0.827 HD1 :: 0.641 HD2 :: 0.479 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 :: 127.246 Ave N Shift Values>> N :: 121.98(4.07) K48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.93 G 0.03 K 0.01 HN Overlap>> S69 C Shift Assignments>> C :: 175.107 CA :: 55.466 CB :: 39.165(S) CG :: 26.029 CD :: 30.297 CE :: 42.316 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 :: 7.458 HA :: 5.233 HB2 :: 1.54 HB3 :: 1.398 HG2 :: 1.234 HG3 :: 1.16 HD2 :: 1.457 HD3 :: 1.457 HE2 :: 2.822 HE3 :: 2.822 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 :: 115.452 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> E14 C Shift Assignments>> C :: 175.015 CA :: 60.869 CB :: 40.172 CG1 :: 27.309 CG2 :: 17.856 CD1 :: 13.509 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.293 HA :: 4.27 HB :: 1.49 HG2 :: 0.622 HG12 :: 0.683 HG13 :: 0.683 HD1 :: 0.736 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 :: 119.222 Ave N Shift Values>> N :: 121.6(4.72) N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 E 0.21 Y 0.13 M 0.1 F 0.06 D 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 175.63 CA :: 54.244 CB :: 36.775 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.691 HA :: 4.506 HB2 :: 3.135 HB3 :: 2.844 HD21 :: 7.939 HD22 :: 7.211 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 :: 127.166 ND2 :: 112.558 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.923 CA :: 45.488 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.053 HA2 :: 4.27 HA3 :: 3.475 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.904 Ave N Shift Values>> N :: 109.91(4.29) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.873 CA :: 62.723 CB :: 69.516 CG2 :: 22.29 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 :: 8.171 HA :: 4.397 HB :: 4.153 HG2 :: 1.195 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.171 Ave N Shift Values>> N :: 115.7(5.05) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.056 CA :: 63.528 CB :: 32.566 CG1 :: 21.946 CG2 :: 21.946 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 :: 8.631 HA :: 4.353 HB :: 2.235 HG1 :: 1.238 HG2 :: 1.154 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.512 Ave N Shift Values>> N :: 121.02(4.96) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.883 CA :: 61.708 CB :: 68.721 CG2 :: 21.875 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 :: 7.888 HA :: 4.392 HB :: 4.468 HG2 :: 1.042 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.476 Ave N Shift Values>> N :: 115.7(5.05) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.25 K 0.11 M 0.05 Q 0.04 C Shift Assignments>> C :: 177.183 CA :: 59.052 CB :: 29.668 CG :: 36.314 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 :: 7.465 HA :: 4.429 HB2 :: 2.268 HB3 :: 1.907 HG2 :: 2.519 HG3 :: 2.299 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 :: 126.591 Ave N Shift Values>> N :: 120.68(3.68) N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 N 0.19 M 0.15 Y 0.13 K 0.07 F 0.06 Q 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 173.65 CA :: 54.881 CB :: 36.361 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.12 HA :: 4.764 HB2 :: 3.318 HB3 :: 3.04 HD21 :: 7.471 HD22 :: 6.837 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.447 ND2 :: 110.659 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 E 0.37 Q 0.08 K 0.01 C Shift Assignments>> C :: 175.922 CA :: 55.823 CB :: 35.547 CG :: 32.542 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 :: 8.029 HA :: 4.393 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.923 HG3 :: 2.539 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 :: 122.694 Ave N Shift Values>> N :: 120.1(3.88) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.269 CA :: 57.925 CB :: 64.525 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.281 HA :: 4.42 HB2 :: 4.296 HB3 :: 4.102 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 :: 122.017 Ave N Shift Values>> N :: 116.3(3.95) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.01 C Shift Assignments>> C :: 178.62 CA :: 58.541 CB :: 42.005 CG :: 27.07 CD1 :: 24.974 CD2 :: 24.007 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 :: 8.83 HA :: 3.938 HB2 :: 1.709 HB3 :: 1.45 HG :: 1.425 HD1 :: 0.817 HD2 :: 0.757 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.627 Ave N Shift Values>> N :: 121.98(4.07) T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.412 CA :: 66.261 CB :: 68.679 CG2 :: 22.204 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 :: 7.966 HA :: 3.841 HB :: 4.048 HG2 :: 1.245 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 :: 112.073 Ave N Shift Values>> N :: 115.7(5.05) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 178.631 CA :: 57.589 CB :: 39.707 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 :: 7.553 HA :: 4.445 HB2 :: 2.825 HB3 :: 2.646 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 :: 122.864 Ave N Shift Values>> N :: 120.73(4.2) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.05 V 0.01 C Shift Assignments>> C :: 179.222 CA :: 55.611 CB :: 18.364 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.33 HA :: 4.056 HB :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.614 Ave N Shift Values>> N :: 123.23(3.7) R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.38 K 0.04 C Shift Assignments>> C :: 179.754 CA :: 60.103 CB :: 30.078 CG :: 28.49 CD :: 44.047 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 :: 8.359 HA :: 3.843 HB2 :: 1.981 HB3 :: 1.911 HG2 :: 1.89 HG3 :: 1.717 HD2 :: 3.203 HD3 :: 3.137 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 :: 116.005 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.32 M 0.02 G 0.01 C Shift Assignments>> C :: 178.712 CA :: 59.387 CB :: 32.1 CG :: 25.285 CD :: 28.994 CE :: 42.046 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 :: 7.708 HA :: 4.095 HB2 :: 2.03 HB3 :: 1.928 HG2 :: 1.707 HG3 :: 1.521 HD2 :: 1.716 HD3 :: 1.716 HE2 :: 2.968 HE3 :: 2.968 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 :: 119.798 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 G 0.02 C Shift Assignments>> C :: 180.224 CA :: 57.941 CB :: 41.902 CG :: 26.006 CD1 :: 23.063 CD2 :: 23.063 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 :: 7.596 HA :: 4.024 HB2 :: 2.072 HB3 :: 1.357 HG :: 0.909 HD1 :: 0.871 HD2 :: 0.871 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 :: 118.273 Ave N Shift Values>> N :: 121.98(4.07) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.415 CA :: 65.193 CB :: 37.231 CG1 :: 28.414 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 :: 7.424 HA :: 3.571 HB :: 2.161 HG2 :: 0.762 HG12 :: 1.044 HG13 :: 1.044 HD1 :: 0.637 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 :: 117.84 Ave N Shift Values>> N :: 121.6(4.72) E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.27 K 0.09 M 0.05 Q 0.04 C Shift Assignments>> C :: 178.405 CA :: 59.37 CB :: 29.84 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 :: 8.212 HA :: 4.164 HB2 :: 2.207 HB3 :: 2.207 HG2 :: 2.331 HG3 :: 2.472 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 :: 121.548 Ave N Shift Values>> N :: 120.68(3.68) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.35 M 0.05 G 0.01 C Shift Assignments>> C :: 176.827 CA :: 56.476 CB :: 32.226 CG :: 24.906 CD :: 29.044 CE :: 42.142 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 :: 7.806 HA :: 4.423 HB2 :: 2.06 HB3 :: 1.891 HG2 :: 1.62 HG3 :: 1.62 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.983 HE3 :: 2.983 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 :: 116.057 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K48 C Shift Assignments>> C :: 174.621 CA :: 59.842 CB :: 63.406 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.479 HA :: 4.313 HB2 :: 4.3 HB3 :: 4.153 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 :: 115.361 Ave N Shift Values>> N :: 116.3(3.95) R70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.608 HA :: 5.245 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 :: 122.717 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.047 CA :: 46.399 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.13 HA3 :: 3.718 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.37 M 0.06 G 0.01 C Shift Assignments>> C :: 173.78 CA :: 55.851 CB :: 35.114 CG :: 24.887 CD :: 29.967 CE :: 42.189 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 :: 7.576 HA :: 5.078 HB2 :: 1.824 HB3 :: 1.711 HG2 :: 1.371 HG3 :: 1.292 HD2 :: 2.193 HD3 :: 1.873 HE2 :: 2.933 HE3 :: 2.933 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.721 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.4 R 0.02 C Shift Assignments>> C :: 173.616 CA :: 53.625 CB :: 45.085 CG :: 27.011 CD1 :: 25.639 CD2 :: 24.94 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 :: 8.964 HA :: 4.708 HB2 :: 1.392 HB3 :: 0.91 HG :: 0.678 HD1 :: 0.635 HD2 :: 0.176 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 :: 126.101 Ave N Shift Values>> N :: 121.98(4.07) Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.24 E 0.21 K 0.2 R 0.01 C Shift Assignments>> C :: 175.324 CA :: 54.342 CB :: 30.273 CG :: 34.47 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 :: 8.868 HA :: 5.091 HB2 :: 2.164 HB3 :: 1.864 HG2 :: 2.187 HG3 :: 2.117 HE21 :: 7.176 HE22 :: 6.769 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 :: 126.661 NE2 :: 111.239 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.24 C Shift Assignments>> C :: 176.385 CA :: 53.222 CB :: 45.61 CD1 :: 26.237 CD2 :: 24.729 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 :: 9.41 HA :: 5.237 HB2 :: 1.691 HB3 :: 1.218 HG :: 0.633 HD1 :: 0.757 HD2 :: 0.568 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 :: 127.232 Ave N Shift Values>> N :: 121.98(4.07) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.657 CA :: 62.6 CB :: 33.327 CG1 :: 21.744 CG2 :: 21.744 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 :: 7.947 HA :: 4.825 HB :: 1.74 HG1 :: 0.927 HG2 :: 0.927 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.342 Ave N Shift Values>> N :: 121.02(4.96) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.02 C Shift Assignments>> C :: 174.188 CA :: 59.768 CB :: 35.264 CG1 :: 21.504 CG2 :: 19.997 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 :: 9.213 HA :: 5.223 HB :: 1.999 HG1 :: 0.783 HG2 :: 0.718 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 :: 124.553 Ave N Shift Values>> N :: 121.02(4.96) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 G 0.28 R 0.05 HN Overlap>> A11 R18 C Shift Assignments>> C :: 174.923 CA :: 54.54 CB :: 44.127 CG :: 27.093 CD1 :: 24.624 CD2 :: 24.624 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 :: 8.812 HA :: 4.468 HB2 :: 1.738 HB3 :: 1.316 HG :: 1.599 HD1 :: 0.893 HD2 :: 0.787 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 :: 124.615 Ave N Shift Values>> N :: 121.98(4.07) R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.33 G 0.06 C Shift Assignments>> C :: 174.938 CA :: 55.234 CB :: 32.197 CG :: 27.11 CD :: 42.939 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 :: 8.189 HA :: 4.473 HB2 :: 1.62 HB3 :: 1.62 HG2 :: 1.594 HG3 :: 1.594 HD2 :: 3.196 HD3 :: 3.196 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 :: 125.075 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.17 R 0.1 F 0.07 Y 0.05 N 0.05 C Shift Assignments>> C :: 175.621 CA :: 54.4 CB :: 41.912 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 :: 8.421 HA :: 4.632 HB2 :: 2.671 HB3 :: 2.595 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 :: 122.998 Ave N Shift Values>> N :: 120.73(4.2) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.81 CA :: 58.536 CB :: 63.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.33 HA :: 4.343 HB2 :: 3.875 HB3 :: 3.778 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.36 Ave N Shift Values>> N :: 116.3(3.95) L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 G 0.01 A 0.01 C Shift Assignments>> C :: 177.528 CA :: 55.71 CB :: 42.078 CG :: 27.128 CD1 :: 24.999 CD2 :: 23.614 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 :: 8.274 HA :: 4.224 HB2 :: 1.595 HB3 :: 1.514 HG :: 1.539 HD1 :: 0.815 HD2 :: 0.756 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.33 Ave N Shift Values>> N :: 121.98(4.07) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.14 M 0.12 I 0.09 Q 0.08 C Shift Assignments>> C :: 176.408 CA :: 57.056 CB :: 30.002 CG :: 36.213 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 :: 8.144 HA :: 4.114 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 2.172 HG3 :: 2.132 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.891 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 83 #Suspicious: 0 C Shift Results: #Consistent: 342 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 478 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: S21 HA = 6.052(S), Expected = 4.51, Std = 0.4300, ChiSquare = 3.3573e-04 K48 CB = 39.165(S), Expected = 32.83, Std = 1.8800, ChiSquare = 7.5255e-04