G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.319 CA :: 56.130 CB :: 61.609 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.494 HA :: 4.506 HB2 :: 3.901 HB3 :: 3.901 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 :: 119.792 Ave N Shift Values>> N :: 116.3(3.95) R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.15 C 0.14 L 0.1 W 0.09 R 0.07 E 0.07 M 0.03 C Shift Assignments>> C :: 174.071 CA :: 54.086 CB :: 28.474 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 :: 8.394 HA :: 4.371 HB2 :: 1.806 HB3 :: 1.869 HG2 :: 1.649 HD2 :: 3.206 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 :: 124.393 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.19 K 0.19 R 0.17 Q 0.01 C Shift Assignments>> C :: 174.053 CA :: 53.347 CB :: 30.475 CG :: 29.997 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 :: 8.327 HA :: 4.518 HB2 :: 2.104 HB3 :: 2.034 HG2 :: 2.553 HG3 :: 2.628 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 :: 122.709 Ave N Shift Values>> N :: 120.1(3.88) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.793 CA :: 56.043 CB :: 61.609 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.344 HA :: 4.537 HB2 :: 3.934 HB3 :: 3.934 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 :: 118.654 Ave N Shift Values>> N :: 116.3(3.95) T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.19 S 0.17 C Shift Assignments>> C :: 172.811 CA :: 60.087 CB :: 67.349 CG2 :: 19.441 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 :: 8.239 HA :: 4.364 HB :: 4.316 HG2 :: 1.239 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.213 Ave N Shift Values>> N :: 115.7(5.05) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.847 CA :: 56.738 CB :: 61.435 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.293 HA :: 4.447 HB2 :: 3.921 HB3 :: 3.921 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 :: 119.047 Ave N Shift Values>> N :: 116.3(3.95) S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> E86 C Shift Assignments>> C :: 172.595 CA :: 56.869 CB :: 61.348 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.268 HA :: 4.420 HB2 :: 3.913 HB3 :: 3.913 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 :: 119.449 Ave N Shift Values>> N :: 116.3(3.95) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 A 0.41 L 0.15 C Shift Assignments>> C :: 175.402 CA :: 53.608 CB :: 39.867 CG :: 24.850 CD1 :: 22.772 CD2 :: 21.510 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 :: 8.078 HA :: 4.300 HB2 :: 1.629 HB3 :: 1.714 HG :: 1.644 HD1 :: 0.919 HD2 :: 0.872 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 :: 125.015 Ave N Shift Values>> N :: 121.98(4.07) R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 L 0.32 C 0.23 R 0.04 C Shift Assignments>> C :: 172.085 CA :: 54.303 CB :: 28.387 CG :: 24.947 CD :: 41.126 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 :: 8.123 HA :: 4.269 HB2 :: 1.859 HB3 :: 1.794 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 3.219 HD3 :: 3.219 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 :: 122.235 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 L 0.31 C 0.23 R 0.04 HN Overlap>> L144 C Shift Assignments>> C :: 174.053 CA :: 54.434 CB :: 28.474 CG :: 24.907 CD :: 41.148 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 :: 8.134 HA :: 4.287 HB2 :: 1.826 HB3 :: 1.870 HG2 :: 1.647 HG3 :: 1.647 HD2 :: 3.213 HD3 :: 3.213 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 :: 122.784 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.32 K 0.21 Q 0.07 M 0.03 C Shift Assignments>> C :: 173.927 CA :: 53.999 CB :: 27.257 CG :: 31.667 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 :: 8.280 HA :: 4.334 HB2 :: 2.090 HB3 :: 2.004 HG2 :: 2.378 HG3 :: 2.378 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 :: 122.232 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.19 M 0.18 R 0.18 C Shift Assignments>> C :: 173.945 CA :: 53.521 CB :: 30.388 CG :: 29.970 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 :: 8.280 HA :: 4.461 HB2 :: 2.100 HB3 :: 2.029 HG2 :: 2.553 HG3 :: 2.624 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 :: 122.868 Ave N Shift Values>> N :: 120.1(3.88) K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.14 K 0.05 R 0.05 M 0.03 L 0.01 C Shift Assignments>> C :: 174.035 CA :: 54.303 CB :: 30.736 CG :: 22.542 CD :: 26.946 CE :: 39.908 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 :: 8.205 HA :: 4.297 HB2 :: 1.819 HB3 :: 1.752 HG2 :: 1.395 HG3 :: 1.437 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 3.001 HE3 :: 3.001 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 :: 123.036 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.32 M 0.04 Y 0.03 E 0.02 D 0.02 F 0.01 C Shift Assignments>> C :: 172.505 CA :: 51.129 CB :: 36.649 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 :: 8.355 HA :: 4.694 HB2 :: 2.736 HB3 :: 2.801 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 :: 120.842 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.21 HN Overlap>> Y21 I64 C Shift Assignments>> C :: 173.675 CA :: 58.869 CB :: 36.736 CG1 :: 24.976 CG2 :: 15.231 CD1 :: 10.662 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 :: 7.959 HA :: 4.140 HB :: 1.822 HG2 :: 0.772 HG12 :: 1.148 HG13 :: 1.411 HD1 :: 0.819 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 :: 122.527 Ave N Shift Values>> N :: 121.6(4.72) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.14 I 0.05 C Shift Assignments>> C :: 173.279 CA :: 60.000 CB :: 30.562 CG1 :: 18.820 CG2 :: 18.458 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 :: 8.076 HA :: 4.010 HB :: 1.970 HG1 :: 0.796 HG2 :: 0.861 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 :: 125.633 Ave N Shift Values>> N :: 121.02(4.96) H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 C 0.43 W 0.08 HN Overlap>> K121 C Shift Assignments>> C :: 174.575 CA :: 52.955 CB :: 27.518 CD2 :: 117.692 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 :: 8.284 HA :: 4.500 HB2 :: 2.836 HB3 :: 2.836 HD2 :: 6.805 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 :: 124.114 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 Y 0.31 HN Overlap>> I17 I64 C Shift Assignments>> C :: 174.053 CA :: 55.086 CB :: 37.693 CD1 :: 130.466 CD2 :: 130.466 CE1 :: 115.714 CE2 :: 115.714 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 :: 7.960 HA :: 4.782 HB2 :: 3.142 HB3 :: 2.636 HD1 :: 7.080 HD2 :: 7.080 HE1 :: 6.688 HE2 :: 6.688 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 :: 122.519 Ave N Shift Values>> N :: 120.79(4.69) S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.272 CA :: 54.782 CB :: 63.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.593 HA :: 4.552 HB2 :: 4.417 HB3 :: 4.039 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 :: 121.470 Ave N Shift Values>> N :: 116.3(3.95) E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.19 E 0.1 R 0.07 I 0.03 C Shift Assignments>> C :: 176.338 CA :: 57.739 CB :: 27.257 CG :: 34.384 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 :: 8.819 HA :: 4.021 HB2 :: 2.016 HB3 :: 2.090 HG2 :: 2.350 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 :: 122.281 Ave N Shift Values>> N :: 120.68(3.68) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 C 0.01 I 0.01 C Shift Assignments>> C :: 176.698 CA :: 53.347 CB :: 16.125 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.574 HA :: 3.761 HB :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.433 Ave N Shift Values>> N :: 123.23(3.7) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.13 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.1 I 0.07 L 0.05 M 0.01 HN Overlap>> K132 C Shift Assignments>> C :: 176.644 CA :: 57.913 CB :: 28.214 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 :: 7.679 HA :: 3.482 HB2 :: 1.684 HB3 :: 1.704 HG2 :: 2.494 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 :: 117.551 Ave N Shift Values>> N :: 120.68(3.68) I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.41 C Shift Assignments>> C :: 176.572 CA :: 62.783 CB :: 35.345 CG1 :: 26.978 CG2 :: 14.843 CD1 :: 10.680 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 :: 8.533 HA :: 3.383 HB :: 1.961 HG2 :: 0.880 HG12 :: 1.105 HG13 :: 1.652 HD1 :: 0.806 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 :: 121.601 Ave N Shift Values>> N :: 121.6(4.72) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.12 Q 0.1 M 0.06 K 0.06 I 0.02 V 0.02 HN Overlap>> I47 C Shift Assignments>> C :: 176.428 CA :: 57.913 CB :: 30.562 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 :: 7.907 HA :: 4.071 HB2 :: 1.868 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 :: 120.647 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> T83 C Shift Assignments>> C :: 176.806 CA :: 64.566 CB :: 28.822 CG1 :: 22.945 CG2 :: 19.581 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 :: 7.888 HA :: 3.338 HB :: 1.916 HG1 :: 1.021 HG2 :: 0.646 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 :: 119.067 Ave N Shift Values>> N :: 121.02(4.96) R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 I 0.14 L 0.14 Q 0.12 K 0.1 W 0.1 H 0.08 E 0.06 R 0.03 C Shift Assignments>> C :: 176.068 CA :: 58.347 CB :: 26.996 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 :: 8.435 HA :: 3.336 HB2 :: 1.656 HB3 :: 1.790 HG2 :: 1.097 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 :: 124.105 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.17 C 0.12 Q 0.12 K 0.09 H 0.08 W 0.07 E 0.05 I 0.05 C Shift Assignments>> C :: 177.184 CA :: 56.956 CB :: 26.996 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 :: 8.167 HA :: 4.010 HB2 :: 2.044 HB3 :: 2.159 HG2 :: 2.379 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 :: 121.136 Ave N Shift Values>> N :: 120.68(3.68) A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 173.549 CA :: 51.520 CB :: 17.082 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.264 HA :: 4.064 HB :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.073 Ave N Shift Values>> N :: 123.23(3.7) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 S 0.35 C 0.16 T 0.02 C Shift Assignments>> C :: 170.295 CA :: 56.869 CB :: 66.566 CG2 :: 18.601 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 :: 7.113 HA :: 4.461 HB :: 4.516 HG2 :: 0.788 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 :: 103.346 Ave N Shift Values>> N :: 115.7(5.05) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 K 0.08 R 0.08 C 0.07 E 0.06 W 0.06 Y 0.05 D 0.05 F 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.086 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.672 HA :: 4.280 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 :: 116.271 Ave N Shift Values>> N :: 116.3(3.95) N34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.44 C 0.15 W 0.11 R 0.06 E 0.04 K 0.04 Q 0.03 H 0.03 V 0.03 P 0.01 C Shift Assignments>> C :: 173.423 CA :: 61.522 CB :: 28.300 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 :: 4.069 HB2 :: 1.807 HB3 :: 1.892 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) W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.42 C Shift Assignments>> C :: 173.261 CA :: 54.250 CB :: 27.898 CD1 :: 125.037 CE3 :: 117.927 CZ2 :: 112.697 CZ3 :: 119.828 CH2 :: 122.366 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 :: 7.493 HA :: 4.823 HB2 :: 3.380 HB3 :: 3.158 HD1 :: 7.154 HE1 :: 10.130 HE3 :: 7.562 HZ2 :: 7.453 HZ3 :: 7.142 HH2 :: 7.185 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.012 NE1 :: 131.486 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.24 D 0.13 F 0.09 R 0.08 C 0.07 Y 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 169.573 CA :: 41.966 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 3.392 HA3 :: 4.231 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.243 Ave N Shift Values>> N :: 109.91(4.29) P39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> W65 C Shift Assignments>> CA :: 59.087 CB :: 59.870 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.171 HA :: 4.195 HB2 :: 3.865 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 :: 118.665 Ave N Shift Values>> N :: 116.3(3.95) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.32 L 0.13 C Shift Assignments>> C :: 176.709 CA :: 55.273 CB :: 39.519 CG :: 25.047 CD1 :: 23.641 CD2 :: 20.751 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 :: 7.420 HA :: 4.259 HB2 :: 1.860 HB3 :: 1.575 HG :: 1.397 HD1 :: 0.969 HD2 :: 0.980 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 :: 126.239 Ave N Shift Values>> N :: 121.98(4.07) M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.39 M 0.14 C Shift Assignments>> C :: 175.312 CA :: 59.174 CB :: 29.779 CE :: 14.259 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 :: 7.831 HA :: 3.530 HB2 :: 1.052 HB3 :: 1.413 HE :: 1.596 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.237 Ave N Shift Values>> N :: 120.1(3.88) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.413 CA :: 59.565 CB :: 60.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.077 HA :: 4.398 HB2 :: 4.090 HB3 :: 4.090 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 :: 115.377 Ave N Shift Values>> N :: 116.3(3.95) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 K 0.23 E 0.09 R 0.08 I 0.01 M 0.01 C Shift Assignments>> C :: 172.957 CA :: 57.174 CB :: 27.692 CG :: 34.021 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 :: 7.729 HA :: 4.130 HB2 :: 1.979 HB3 :: 1.939 HG2 :: 2.293 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.021 Ave N Shift Values>> N :: 120.68(3.68) I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 HN Overlap>> K27 C Shift Assignments>> C :: 175.215 CA :: 63.432 CB :: 35.397 CG1 :: 28.197 CG2 :: 17.369 CD1 :: 12.685 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 :: 7.961 HA :: 3.527 HB :: 1.917 HG2 :: 0.879 HG12 :: 1.981 HG13 :: 2.032 HD1 :: 0.611 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.636 Ave N Shift Values>> N :: 121.6(4.72) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.27 C 0.01 I 0.01 C Shift Assignments>> C :: 179.127 CA :: 53.934 CB :: 15.809 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.504 HA :: 3.979 HB :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.253 Ave N Shift Values>> N :: 123.23(3.7) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.2 N 0.14 F 0.14 D 0.08 E 0.08 I 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 177.472 CA :: 55.782 CB :: 38.215 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 :: 8.232 HA :: 4.707 HB2 :: 2.758 HB3 :: 2.919 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 :: 121.608 Ave N Shift Values>> N :: 120.73(4.2) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 C 0.43 L 0.1 C Shift Assignments>> C :: 176.518 CA :: 55.008 CB :: 40.911 CG :: 24.875 CD1 :: 22.837 CD2 :: 20.276 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 :: 7.688 HA :: 4.294 HB2 :: 1.395 HB3 :: 1.427 HG :: 1.960 HD1 :: 0.811 HD2 :: 0.924 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 :: 121.408 Ave N Shift Values>> N :: 121.98(4.07) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 C Shift Assignments>> C :: 171.966 CA :: 63.074 CB :: 67.871 CG2 :: 21.515 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 :: 7.827 HA :: 3.995 HB :: 4.317 HG2 :: 1.507 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 :: 108.759 Ave N Shift Values>> N :: 115.7(5.05) Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Y 0.36 H 0.03 C Shift Assignments>> C :: 172.696 CA :: 58.033 CB :: 35.780 CD1 :: 131.624 CD2 :: 131.624 CE1 :: 115.723 CE2 :: 115.723 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 :: 7.225 HA :: 4.226 HB2 :: 3.349 HB3 :: 2.888 HD1 :: 7.485 HD2 :: 7.485 HE1 :: 6.899 HE2 :: 6.899 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 :: 118.522 Ave N Shift Values>> N :: 120.79(4.69) N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.22 D 0.09 Y 0.02 F 0.02 C Shift Assignments>> C :: 172.775 CA :: 50.240 CB :: 38.128 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 :: 7.938 HA :: 5.011 HB2 :: 3.294 HB3 :: 2.912 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 :: 123.670 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 V 0.43 I 0.12 C Shift Assignments>> C :: 175.312 CA :: 64.162 CB :: 29.662 CG1 :: 18.902 CG2 :: 18.791 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 :: 8.720 HA :: 3.838 HB :: 2.194 HG1 :: 1.073 HG2 :: 1.058 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 :: 125.659 Ave N Shift Values>> N :: 121.02(4.96) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.39 I 0.03 C Shift Assignments>> C :: 176.176 CA :: 63.790 CB :: 29.692 CG1 :: 18.737 CG2 :: 20.276 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 :: 7.728 HA :: 3.853 HB :: 2.169 HG1 :: 0.948 HG2 :: 1.066 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 :: 123.550 Ave N Shift Values>> N :: 121.02(4.96) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 C 0.01 C Shift Assignments>> C :: 177.256 CA :: 52.438 CB :: 16.175 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.050 HA :: 4.084 HB :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.245 Ave N Shift Values>> N :: 123.23(3.7) F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 F 0.08 Y 0.04 C Shift Assignments>> C :: 173.981 CA :: 60.505 CB :: 36.472 CD1 :: 128.958 CD2 :: 128.958 CE1 :: 128.999 CE2 :: 128.999 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.168 HA :: 3.735 HB2 :: 3.561 HB3 :: 3.044 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.146 HE2 :: 7.146 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 :: 118.336 Ave N Shift Values>> N :: 120.69(4.18) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.952 CA :: 59.431 CB :: 60.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.392 HA :: 3.984 HB2 :: 4.108 HB3 :: 4.108 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.303 Ave N Shift Values>> N :: 116.3(3.95) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.24 R 0.1 E 0.08 M 0.02 C Shift Assignments>> C :: 177.375 CA :: 56.601 CB :: 27.928 CG :: 33.750 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 :: 7.444 HA :: 4.060 HB2 :: 2.259 HB3 :: 2.508 HG2 :: 2.537 HG3 :: 2.218 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.933 Ave N Shift Values>> N :: 120.68(3.68) I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 175.024 CA :: 62.814 CB :: 36.320 CG1 :: 26.925 CG2 :: 13.606 CD1 :: 13.108 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 :: 8.745 HA :: 3.284 HB :: 1.635 HG2 :: 0.482 HG12 :: 1.674 HG13 :: 1.703 HD1 :: 0.696 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 :: 121.864 Ave N Shift Values>> N :: 121.6(4.72) M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 A 0.01 C Shift Assignments>> C :: 175.690 CA :: 53.576 CB :: 25.952 CG :: 28.680 CE :: 12.875 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 :: 7.952 HA :: 3.928 HB2 :: 1.925 HB3 :: 1.617 HG2 :: 1.948 HG3 :: 1.988 HE :: 1.627 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 :: 116.278 Ave N Shift Values>> N :: 120.1(3.88) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.168 CA :: 59.789 CB :: 60.652 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.780 HA :: 4.315 HB2 :: 3.947 HB3 :: 3.947 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 :: 113.072 Ave N Shift Values>> N :: 116.3(3.95) M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.31 A 0.07 C Shift Assignments>> C :: 175.600 CA :: 54.260 CB :: 28.996 CG :: 30.952 CE :: 14.779 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 :: 7.482 HA :: 4.518 HB2 :: 1.905 HB3 :: 2.164 HG2 :: 2.398 HE :: 1.898 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 :: 120.620 Ave N Shift Values>> N :: 120.1(3.88) I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 HN Overlap>> I17 Y21 C Shift Assignments>> C :: 179.127 CA :: 64.870 CB :: 34.736 CG1 :: 28.543 CG2 :: 14.487 CD1 :: 11.647 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 :: 8.025 HA :: 3.161 HB :: 1.474 HG2 :: 0.201 HG12 :: 0.431 HG13 :: 1.761 HD1 :: 0.442 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 :: 122.519 Ave N Shift Values>> N :: 121.6(4.72) W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 W 0.04 H 0.03 HN Overlap>> S42 C Shift Assignments>> C :: 177.274 CA :: 57.652 CB :: 27.170 CD1 :: 128.268 CE3 :: 119.373 CZ2 :: 111.347 CZ3 :: 119.294 CH2 :: 121.776 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.215 HA :: 4.567 HB2 :: 3.335 HB3 :: 3.177 HD1 :: 7.108 HE1 :: 10.345 HE3 :: 7.621 HZ2 :: 7.138 HZ3 :: 6.706 HH2 :: 7.001 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 :: 118.637 NE1 :: 129.586 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 K 0.11 R 0.06 L 0.02 M 0.01 C Shift Assignments>> C :: 178.155 CA :: 57.739 CB :: 30.127 CG :: 23.266 CD :: 27.327 CE :: 39.904 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 :: 7.688 HA :: 4.115 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 1.464 HG3 :: 1.635 HD2 :: 1.724 HD3 :: 1.674 HE2 :: 2.992 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.586 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 L 0.27 C 0.23 R 0.12 HN Overlap>> R143 C Shift Assignments>> C :: 175.330 CA :: 55.651 CB :: 28.214 CG :: 25.355 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 :: 8.047 HA :: 3.958 HB2 :: 1.628 HG2 :: 1.431 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.739 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.38 A 0.03 C Shift Assignments>> C :: 174.179 CA :: 54.564 CB :: 39.898 CG :: 24.385 CD1 :: 24.192 CD2 :: 23.615 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 :: 7.932 HA :: 4.071 HB2 :: 1.797 HB3 :: 1.834 HG :: 1.907 HD1 :: 0.683 HD2 :: 0.835 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 :: 116.825 Ave N Shift Values>> N :: 121.98(4.07) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.25 D 0.06 Y 0.02 F 0.01 M 0.01 C Shift Assignments>> C :: 172.685 CA :: 50.433 CB :: 37.556 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 :: 7.367 HA :: 5.008 HB2 :: 3.071 HB3 :: 2.795 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 :: 116.271 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 C 0.12 L 0.09 F 0.04 Y 0.04 K 0.02 C Shift Assignments>> C :: 172.056 CA :: 52.042 CB :: 40.288 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 :: 7.178 HA :: 4.860 HB2 :: 2.912 HB3 :: 2.699 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 :: 121.921 Ave N Shift Values>> N :: 120.73(4.2) H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.37 W 0.12 C Shift Assignments>> C :: 173.405 CA :: 52.825 CB :: 30.465 CD2 :: 118.022 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 :: 8.755 HA :: 5.102 HB2 :: 3.154 HB3 :: 3.373 HD2 :: 7.265 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 :: 113.733 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.588 CA :: 45.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.843 HA2 :: 3.841 HA3 :: 3.498 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.926 Ave N Shift Values>> N :: 109.91(4.29) K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.12 R 0.05 L 0.04 M 0.02 K 0.01 C Shift Assignments>> C :: 174.701 CA :: 55.999 CB :: 29.619 CG :: 21.696 CD :: 27.348 CE :: 39.881 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 :: 8.578 HA :: 3.825 HB2 :: 1.929 HB3 :: 1.929 HG2 :: 1.563 HG3 :: 1.308 HD2 :: 1.746 HD3 :: 1.776 HE2 :: 3.068 HE3 :: 3.068 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.994 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 N 0.26 P 0.11 M 0.09 E 0.02 K 0.02 Y 0.01 Q 0.01 C Shift Assignments>> C :: 173.585 CA :: 50.694 CB :: 35.669 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 :: 7.791 HA :: 4.770 HB2 :: 2.810 HB3 :: 2.735 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 :: 120.080 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.17 HN Overlap>> D140 C Shift Assignments>> C :: 174.629 CA :: 58.130 CB :: 25.518 CD1 :: 125.464 CE3 :: 119.425 CZ2 :: 112.550 CZ3 :: 118.455 CH2 :: 122.549 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 :: 7.907 HA :: 3.979 HB2 :: 3.237 HB3 :: 3.610 HD1 :: 7.134 HE1 :: 10.554 HE3 :: 7.191 HZ2 :: 7.327 HZ3 :: 6.366 HH2 :: 6.912 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 :: 121.969 NE1 :: 131.114 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.36 C 0.31 K 0.29 R 0.02 C Shift Assignments>> C :: 176.410 CA :: 58.358 CB :: 26.996 CG :: 25.449 CD :: 40.936 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 :: 7.833 HA :: 3.139 HB2 :: 1.072 HG2 :: 0.190(S) HG3 :: 0.190(S) HD2 :: 2.570 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 :: 124.567 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 R 0.17 Q 0.13 C 0.12 H 0.11 K 0.1 W 0.06 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 173.981 CA :: 54.520 CB :: 27.473 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.489 HA :: 4.648 HB2 :: 3.087 HB3 :: 3.632 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 :: 116.630 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 C Shift Assignments>> C :: 175.870 CA :: 62.814 CB :: 30.010 CG1 :: 21.160 CG2 :: 19.390 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.740 HA :: 3.479 HB :: 2.120 HG1 :: 0.954 HG2 :: 1.010 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 :: 118.579 Ave N Shift Values>> N :: 121.02(4.96) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Y 0.34 HN Overlap>> R128 C Shift Assignments>> C :: 176.014 CA :: 59.822 CB :: 38.207 CD1 :: 130.023 CD2 :: 130.023 CE1 :: 116.738 CE2 :: 116.738 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 :: 8.263 HA :: 3.927 HB2 :: 3.141 HB3 :: 2.879 HD1 :: 6.854 HD2 :: 6.854 HE1 :: 6.953 HE2 :: 6.953 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 :: 119.944 Ave N Shift Values>> N :: 120.79(4.69) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.12 Q 0.09 M 0.07 K 0.07 V 0.02 I 0.02 C Shift Assignments>> C :: 176.208 CA :: 57.870 CB :: 30.660 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 :: 8.976 HA :: 3.820 HB2 :: 1.748 HB3 :: 1.805 HG2 :: 1.458 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 :: 119.183 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.24 C 0.01 I 0.01 C Shift Assignments>> C :: 176.842 CA :: 53.642 CB :: 15.438 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.835 HA :: 3.767 HB :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.064 Ave N Shift Values>> N :: 123.23(3.7) M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.44 I 0.05 A 0.02 V 0.01 C Shift Assignments>> C :: 175.546 CA :: 57.870 CB :: 32.475 CE :: 16.900 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 :: 7.825 HA :: 3.876 HB2 :: 1.752 HB3 :: 2.371 HE :: 2.162 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.210 Ave N Shift Values>> N :: 120.1(3.88) T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.15 S 0.09 HN Overlap>> V28 C Shift Assignments>> C :: 174.413 CA :: 64.636 CB :: 66.006 CG2 :: 19.212 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 :: 7.839 HA :: 3.793 HB :: 4.144 HG2 :: 1.111 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 :: 119.092 Ave N Shift Values>> N :: 115.7(5.05) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.24 L 0.11 C Shift Assignments>> C :: 175.330 CA :: 55.268 CB :: 39.258 CG :: 24.948 CD1 :: 21.416 CD2 :: 25.072 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 :: 8.332 HA :: 4.311 HB2 :: 1.889 HB3 :: 1.868 HG :: 1.399 HD1 :: 0.810 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 :: 124.493 Ave N Shift Values>> N :: 121.98(4.07) M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 M 0.23 HN Overlap>> Y105 C Shift Assignments>> C :: 174.593 CA :: 58.325 CB :: 31.170 CG :: 29.420 CE :: 15.271 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 :: 8.561 HA :: 3.491 HB2 :: 2.083 HB3 :: 2.064 HG2 :: 1.969 HE :: 1.432 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 :: 120.890 Ave N Shift Values>> N :: 120.1(3.88) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.13 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.1 I 0.07 L 0.05 M 0.01 HN Overlap>> S9 C Shift Assignments>> C :: 174.647 CA :: 57.903 CB :: 28.219 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 :: 8.292 HA :: 3.590 HB2 :: 2.072 HB3 :: 2.265 HG2 :: 2.235 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.422 Ave N Shift Values>> N :: 120.68(3.68) Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.44 HN Overlap>> Q133 C Shift Assignments>> C :: 173.297 CA :: 59.789 CB :: 37.780 CD1 :: 130.571 CD2 :: 130.571 CE1 :: 116.541 CE2 :: 116.541 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 :: 7.558 HA :: 3.983 HB2 :: 3.211 HB3 :: 3.100 HD1 :: 6.860 HD2 :: 6.860 HE1 :: 6.670 HE2 :: 6.670 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 :: 120.333 Ave N Shift Values>> N :: 120.79(4.69) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 C 0.44 C Shift Assignments>> C :: 177.292 CA :: 55.040 CB :: 40.418 CG :: 23.407 CD1 :: 23.388 CD2 :: 19.559 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 :: 8.858 HA :: 3.903 HB2 :: 1.338 HB3 :: 1.962 HG :: 2.136 HD1 :: 0.566 HD2 :: 0.820 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 :: 120.373 Ave N Shift Values>> N :: 121.98(4.07) I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 175.960 CA :: 63.074 CB :: 35.780 CG1 :: 28.404 CG2 :: 14.804 CD1 :: 12.936 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 :: 8.740 HA :: 3.522 HB :: 1.927 HG2 :: 0.801 HG12 :: 1.802 HG13 :: 1.802 HD1 :: 0.774 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 :: 122.688 Ave N Shift Values>> N :: 121.6(4.72) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.16 R 0.06 M 0.02 A 0.01 C Shift Assignments>> C :: 176.194 CA :: 56.732 CB :: 31.115 CG :: 23.299 CD :: 27.095 CE :: 39.970 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 :: 7.275 HA :: 4.108 HB2 :: 1.748 HB3 :: 1.748 HG2 :: 1.392 HG3 :: 1.463 HD2 :: 1.625 HE2 :: 2.891 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 :: 117.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.14 S 0.01 C Shift Assignments>> C :: 173.297 CA :: 60.472 CB :: 68.651 CG2 :: 19.192 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 :: 7.805 HA :: 4.468 HB :: 3.781 HG2 :: 0.892 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.666 Ave N Shift Values>> N :: 115.7(5.05) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.16 L 0.13 K 0.13 Y 0.11 C 0.08 I 0.06 N 0.04 R 0.01 C Shift Assignments>> C :: 169.638 CA :: 41.075 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.377 HA2 :: 4.339 HA3 :: 3.573 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.450 Ave N Shift Values>> N :: 109.91(4.29) S93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 174.809 CA :: 55.550 CB :: 61.261 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.276 HA :: 3.822 HB2 :: 3.142 HB3 :: 2.791(S) 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 :: 112.503 Ave N Shift Values>> N :: 116.3(3.95) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.19 R 0.15 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 174.665 CA :: 56.851 CB :: 26.887 CG :: 33.534 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 :: 9.331 HA :: 4.273 HB2 :: 2.112 HG2 :: 2.363 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 :: 130.961 Ave N Shift Values>> N :: 120.68(3.68) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.29 L 0.28 R 0.04 C Shift Assignments>> C :: 176.878 CA :: 56.298 CB :: 28.318 CG :: 25.415 CD :: 40.727 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 :: 7.828 HA :: 3.977 HB2 :: 1.338 HB3 :: 0.977 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 2.643 HD3 :: 2.772 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.683 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.25 I 0.02 C Shift Assignments>> C :: 175.852 CA :: 64.646 CB :: 29.489 CG1 :: 19.981 CG2 :: 19.160 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 :: 8.077 HA :: 3.860 HB :: 2.308 HG1 :: 1.209 HG2 :: 0.830 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 :: 120.133 Ave N Shift Values>> N :: 121.02(4.96) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.891 CA :: 60.418 CB :: 60.259 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.742 HA :: 3.859 HB2 :: 4.013 HB3 :: 4.013 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 :: 116.054 Ave N Shift Values>> N :: 116.3(3.95) Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.34 K 0.26 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.230 CA :: 57.100 CB :: 25.998 CG :: 31.092 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 :: 7.634 HA :: 4.034 HB2 :: 2.160 HB3 :: 2.160 HG2 :: 2.437 HG3 :: 2.545 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 :: 119.910 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.2 R 0.09 E 0.08 I 0.02 M 0.01 C Shift Assignments>> C :: 177.220 CA :: 57.165 CB :: 27.234 CG :: 34.092 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 :: 8.130 HA :: 4.265 HB2 :: 2.474 HB3 :: 2.474 HG2 :: 2.834 HG3 :: 2.834 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 :: 119.750 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.26 C 0.11 V 0.04 K 0.02 R 0.02 W 0.01 T 0.01 C Shift Assignments>> C :: 173.927 CA :: 62.532 CB :: 25.478 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.665 HA :: 4.367 HB2 :: 3.067 HB3 :: 2.745 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 :: 119.690 Ave N Shift Values>> N :: 119.95(4.79) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.17 R 0.06 L 0.03 C Shift Assignments>> C :: 177.490 CA :: 58.141 CB :: 29.967 CG :: 24.400 CD :: 27.394 CE :: 39.939 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 :: 8.208 HA :: 3.970 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 2.998 HE3 :: 2.998 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.22 R 0.1 E 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 174.863 CA :: 56.347 CB :: 27.451 CG :: 33.936 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 :: 7.749 HA :: 4.152 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.504 HG3 :: 2.469 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 :: 120.226 Ave N Shift Values>> N :: 120.68(3.68) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.37 D 0.02 M 0.02 P 0.02 Y 0.02 F 0.01 C Shift Assignments>> C :: 172.919 CA :: 49.738 CB :: 36.818 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 :: 7.492 HA :: 4.980 HB2 :: 2.098 HB3 :: 2.270 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 :: 118.578 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.29 A 0.01 C Shift Assignments>> C :: 175.690 CA :: 56.738 CB :: 30.573 CG :: 29.709 CE :: 14.678 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 :: 7.117 HA :: 4.010 HB2 :: 2.154 HB3 :: 2.358 HG2 :: 2.700 HG3 :: 2.530 HE :: 1.586 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 :: 120.393 Ave N Shift Values>> N :: 120.1(3.88) Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.25 H 0.04 HN Overlap>> M85 C Shift Assignments>> C :: 174.539 CA :: 58.608 CB :: 35.257 CD1 :: 130.907 CD2 :: 130.907 CE1 :: 116.087 CE2 :: 116.087 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 :: 8.547 HA :: 4.287 HB2 :: 3.131 HB3 :: 2.959 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 6.829 HE2 :: 6.829 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 :: 120.885 Ave N Shift Values>> N :: 120.79(4.69) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 176.734 CA :: 52.129 CB :: 16.435 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.260 HA :: 4.013 HB :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.815 Ave N Shift Values>> N :: 123.23(3.7) V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.492 CA :: 62.348 CB :: 30.040 CG1 :: 19.619 CG2 :: 20.767 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 :: 7.284 HA :: 3.918 HB :: 2.161 HG1 :: 1.004 HG2 :: 0.983 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 :: 115.882 Ave N Shift Values>> N :: 121.02(4.96) Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.31 K 0.22 Q 0.09 M 0.01 HN Overlap>> R128 C Shift Assignments>> C :: 177.184 CA :: 57.130 CB :: 26.584 CG :: 31.998 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 :: 8.367 HA :: 3.872 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.363 HG3 :: 2.363 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.848 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.15 S 0.14 C Shift Assignments>> C :: 173.963 CA :: 62.348 CB :: 66.895 CG2 :: 19.070 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 :: 7.765 HA :: 4.099 HB :: 4.145 HG2 :: 1.197 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 :: 112.667 Ave N Shift Values>> N :: 115.7(5.05) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 C 0.47 L 0.01 C Shift Assignments>> C :: 172.930 CA :: 54.042 CB :: 38.525 CG :: 24.534 CD1 :: 20.841 CD2 :: 24.712 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.479 HA :: 4.361 HB2 :: 2.182 HB3 :: 1.430 HG :: 1.974 HD1 :: 1.099 HD2 :: 1.078 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 :: 123.321 Ave N Shift Values>> N :: 121.98(4.07) K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.1 L 0.07 R 0.06 M 0.01 C Shift Assignments>> C :: 173.351 CA :: 57.043 CB :: 29.619 CG :: 23.283 CD :: 27.390 CE :: 39.934 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 :: 7.571 HA :: 4.149 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.740 HD3 :: 1.740 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 173.531 CA :: 51.086 CB :: 39.897 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 :: 7.296 HA :: 4.971 HB2 :: 2.531 HB3 :: 2.959 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 :: 116.859 Ave N Shift Values>> N :: 120.73(4.2) F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 F 0.34 Y 0.27 C Shift Assignments>> C :: 171.948 CA :: 57.913 CB :: 39.117 CD1 :: 130.241 CD2 :: 130.241 CE1 :: 128.802 CE2 :: 128.802 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.426 HA :: 4.164 HB2 :: 3.249 HB3 :: 2.991 HD1 :: 7.347 HD2 :: 7.347 HE1 :: 7.475 HE2 :: 7.475 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 :: 125.619 Ave N Shift Values>> N :: 120.69(4.18) Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.23 K 0.13 R 0.1 P 0.07 Q 0.01 C Shift Assignments>> C :: 173.855 CA :: 51.694 CB :: 30.074 CG :: 30.959 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 :: 7.977 HA :: 4.570 HB2 :: 1.938 HG2 :: 2.354 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 :: 126.694 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.42 C Shift Assignments>> C :: 170.004 CA :: 59.087 CB :: 38.531 CD1 :: 130.717 CD2 :: 130.717 CE1 :: 115.242 CE2 :: 115.242 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 :: 9.361 HA :: 4.412 HB2 :: 3.563 HB3 :: 3.901 HD1 :: 6.828 HD2 :: 6.828 HE1 :: 6.895 HE2 :: 6.895 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 :: 121.652 Ave N Shift Values>> N :: 120.79(4.69) V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.07 A 0.03 I 0.03 C Shift Assignments>> C :: 172.218 CA :: 58.434 CB :: 30.617 CG1 :: 18.782 CG2 :: 18.389 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 :: 7.741 HA :: 4.363 HB :: 1.621 HG1 :: 0.739 HG2 :: 0.699 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 :: 133.713 Ave N Shift Values>> N :: 121.02(4.96) D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.28 C 0.15 L 0.06 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.996 CA :: 50.651 CB :: 40.115 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 :: 8.228 HA :: 4.216 HB2 :: 2.600 HB3 :: 3.616 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.738 Ave N Shift Values>> N :: 120.73(4.2) R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 K 0.34 C 0.23 R 0.02 C Shift Assignments>> C :: 174.791 CA :: 56.086 CB :: 27.494 CG :: 24.542 CD :: 41.203 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 :: 8.392 HA :: 4.114 HB2 :: 1.954 HG2 :: 1.740 HD2 :: 3.285 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.302 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.13 Y 0.04 L 0.04 F 0.04 C Shift Assignments>> C :: 174.089 CA :: 51.955 CB :: 39.399 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 :: 8.080 HA :: 4.798 HB2 :: 2.720 HB3 :: 2.869 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 :: 120.016 Ave N Shift Values>> N :: 120.73(4.2) G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.894 CA :: 43.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.211 HA2 :: 4.105 HA3 :: 3.413 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.212 Ave N Shift Values>> N :: 109.91(4.29) K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.17 R 0.05 K 0.05 L 0.03 M 0.01 HN Overlap>> H19 C Shift Assignments>> C :: 173.549 CA :: 53.173 CB :: 30.422 CG :: 22.818 CD :: 26.661 CE :: 40.029 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 :: 8.271 HA :: 4.244 HB2 :: 1.714 HB3 :: 1.714 HG2 :: 1.261 HG3 :: 1.114 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.948 HE3 :: 2.948 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.115 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.24 D 0.05 Y 0.04 F 0.02 M 0.02 E 0.02 C Shift Assignments>> C :: 173.693 CA :: 51.433 CB :: 37.345 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 :: 8.638 HA :: 4.577 HB2 :: 2.952 HB3 :: 2.546 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 :: 125.878 Ave N Shift Values>> N :: 120.73(4.2) Q123 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.38 K 0.28 C 0.25 R 0.05 C Shift Assignments>> C :: 176.428 CA :: 52.434 CB :: 24.822 CG :: 28.115(S) 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 :: 7.747 HA :: 4.410 HB2 :: 0.465(S) HB3 :: 0.733(S) HG2 :: 2.164 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 :: 125.614 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.279 CA :: 45.520 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.113 HA2 :: 3.955 HA3 :: 4.491 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.356 Ave N Shift Values>> N :: 109.91(4.29) V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 V 0.01 C Shift Assignments>> C :: 172.937 CA :: 62.783 CB :: 29.257 CG1 :: 16.506 CG2 :: 19.948 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 :: 8.097 HA :: 3.724 HB :: 2.053 HG1 :: 0.719 HG2 :: 1.000 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 :: 124.450 Ave N Shift Values>> N :: 121.02(4.96) N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.26 E 0.14 Y 0.09 M 0.07 F 0.04 D 0.03 K 0.02 C Shift Assignments>> C :: 175.834 CA :: 54.173 CB :: 36.823 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 :: 7.097 HA :: 4.407 HB2 :: 2.358 HB3 :: 2.392 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 :: 118.380 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.413 CA :: 64.000 CB :: 29.953 CG1 :: 20.781 CG2 :: 19.612 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 :: 7.048 HA :: 3.595 HB :: 2.221 HG1 :: 0.797 HG2 :: 0.654 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 :: 120.169 Ave N Shift Values>> N :: 121.02(4.96) R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.12 Q 0.11 R 0.11 K 0.1 H 0.1 I 0.07 M 0.03 V 0.02 HN Overlap>> Y79 Q108 C Shift Assignments>> C :: 177.615 CA :: 58.652 CB :: 29.518 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 :: 8.340 HA :: 4.177 HB2 :: 1.815 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 :: 119.893 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.18 E 0.1 R 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 177.202 CA :: 56.825 CB :: 27.083 CG :: 34.428 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 :: 8.362 HA :: 4.084 HB2 :: 2.127 HB3 :: 2.127 HG2 :: 2.449 HG3 :: 2.449 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 :: 117.153 Ave N Shift Values>> N :: 120.68(3.68) K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 C 0.14 R 0.12 W 0.12 E 0.1 L 0.06 M 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 175.672 CA :: 55.043 CB :: 28.735 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 :: 7.487 HA :: 4.315 HB2 :: 2.103 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 :: 121.950 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.35 C 0.01 I 0.01 C Shift Assignments>> C :: 177.166 CA :: 53.477 CB :: 15.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.677 HA :: 3.974 HB :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.159 Ave N Shift Values>> N :: 123.23(3.7) K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.14 R 0.06 M 0.02 L 0.01 HN Overlap>> E25 C Shift Assignments>> C :: 175.090 CA :: 57.913 CB :: 30.562 CG :: 23.347 CD :: 27.302 CE :: 39.911 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 :: 7.604 HA :: 3.853 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 1.757 HG3 :: 1.757 HD2 :: 1.773 HD3 :: 1.773 HE2 :: 2.986 HE3 :: 2.986 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 :: 117.516 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.27 Q 0.18 R 0.07 E 0.04 M 0.02 I 0.01 HN Overlap>> Y87 C Shift Assignments>> C :: 176.644 CA :: 56.434 CB :: 26.126 CG :: 34.231 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 :: 7.514 HA :: 4.112 HB2 :: 2.210 HB3 :: 2.201 HG2 :: 2.341 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 :: 120.334 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.36 A 0.1 C Shift Assignments>> C :: 176.302 CA :: 55.521 CB :: 40.302 CG :: 25.589 CD1 :: 22.148 CD2 :: 22.549 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 :: 8.544 HA :: 4.094 HB2 :: 1.619 HB3 :: 1.765 HG :: 1.644 HD1 :: 0.909 HD2 :: 0.870 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 :: 124.227 Ave N Shift Values>> N :: 121.98(4.07) V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.17 C Shift Assignments>> C :: 175.186 CA :: 65.131 CB :: 29.344 CG1 :: 21.113 CG2 :: 19.303 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 :: 8.405 HA :: 3.493 HB :: 2.086 HG1 :: 1.009 HG2 :: 0.964 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 :: 119.684 Ave N Shift Values>> N :: 121.02(4.96) A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.37 C 0.01 C Shift Assignments>> C :: 177.831 CA :: 52.955 CB :: 15.690 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.374 HA :: 4.066 HB :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.283 Ave N Shift Values>> N :: 123.23(3.7) L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.3 A 0.13 C Shift Assignments>> C :: 176.727 CA :: 55.390 CB :: 40.128 CG :: 25.000 CD1 :: 22.026 CD2 :: 23.726 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 :: 7.707 HA :: 4.186 HB2 :: 1.992 HB3 :: 1.821 HG :: 1.672 HD1 :: 0.959 HD2 :: 0.939 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 :: 120.474 Ave N Shift Values>> N :: 121.98(4.07) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 A 0.37 L 0.17 C Shift Assignments>> C :: 175.582 CA :: 54.303 CB :: 40.390 CG :: 24.868 CD1 :: 21.371 CD2 :: 23.408 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 :: 7.984 HA :: 4.084 HB2 :: 1.448 HB3 :: 1.952 HG :: 1.872 HD1 :: 0.855 HD2 :: 0.801 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 :: 119.274 Ave N Shift Values>> N :: 121.98(4.07) R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 H 0.15 C 0.12 W 0.1 E 0.08 R 0.08 L 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 174.269 CA :: 55.043 CB :: 28.561 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 :: 7.935 HA :: 4.214 HB2 :: 1.925 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 :: 119.422 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.17 C 0.15 Y 0.06 F 0.05 L 0.03 HN Overlap>> W75 C Shift Assignments>> C :: 174.305 CA :: 52.521 CB :: 38.737 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 :: 4.638 HB2 :: 2.893 HB3 :: 2.690 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 :: 121.864 Ave N Shift Values>> N :: 120.73(4.2) E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.24 E 0.09 R 0.07 M 0.02 C Shift Assignments>> C :: 174.773 CA :: 55.347 CB :: 28.040 CG :: 34.073 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 :: 8.328 HA :: 4.195 HB2 :: 2.074 HB3 :: 1.965 HG2 :: 2.284 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 :: 122.497 Ave N Shift Values>> N :: 120.68(3.68) D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 174.575 CA :: 52.955 CB :: 38.824 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 :: 8.313 HA :: 4.574 HB2 :: 2.669 HB3 :: 2.718 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 :: 121.687 Ave N Shift Values>> N :: 120.73(4.2) R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.15 C 0.13 L 0.12 W 0.09 E 0.07 R 0.06 M 0.02 I 0.01 HN Overlap>> R67 C Shift Assignments>> C :: 174.539 CA :: 54.651 CB :: 28.214 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 :: 7.967 HA :: 4.232 HB2 :: 1.841 HG2 :: 1.637 HD2 :: 3.235 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.748 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.39 L 0.13 HN Overlap>> R12 C Shift Assignments>> C :: 175.402 CA :: 53.434 CB :: 39.867 CG :: 24.991 CD1 :: 22.704 CD2 :: 21.289 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 :: 8.114 HA :: 4.280 HB2 :: 1.612 HB3 :: 1.587 HG :: 1.644 HD1 :: 0.924 HD2 :: 0.867 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 :: 122.886 Ave N Shift Values>> N :: 121.98(4.07) R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 L 0.29 C 0.24 R 0.05 C Shift Assignments>> C :: 174.035 CA :: 54.173 CB :: 28.561 CG :: 25.056 CD :: 41.132 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 :: 8.032 HA :: 4.309 HB2 :: 1.873 HB3 :: 1.798 HG2 :: 1.652 HG3 :: 1.652 HD2 :: 3.215 HD3 :: 3.215 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 :: 122.038 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.25 E 0.07 R 0.06 M 0.03 C Shift Assignments>> C :: 174.071 CA :: 54.303 CB :: 28.214 CG :: 34.006 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 :: 8.207 HA :: 4.300 HB2 :: 1.956 HB3 :: 2.084 HG2 :: 2.287 HG3 :: 2.287 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 :: 122.676 Ave N Shift Values>> N :: 120.68(3.68) E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.28 K 0.24 R 0.07 E 0.07 M 0.02 C Shift Assignments>> C :: 173.225 CA :: 54.303 CB :: 27.971 CG :: 34.016 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 :: 8.310 HA :: 4.327 HB2 :: 1.962 HB3 :: 2.084 HG2 :: 2.284 HG3 :: 2.284 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.560 Ave N Shift Values>> N :: 120.68(3.68) R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.29 L 0.17 R 0.08 C Shift Assignments>> CA :: 55.146 CB :: 29.207 CG :: 24.990 CD :: 41.177 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 :: 7.884 HA :: 4.198 HB2 :: 1.717 HB3 :: 1.859 HG2 :: 1.612 HG3 :: 1.612 HD2 :: 3.198 HD3 :: 3.198 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 :: 128.700 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 139 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 605 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 763 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R76 HG2 = 0.190(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.6307e-07 R76 HG3 = 0.190(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.6307e-07 S93 HB3 = 2.791(S), Expected = 3.87, Std = 0.3100, ChiSquare = 5.0021e-04 Q123 Typing: Mistyped Q123 CG = 28.115(S), Expected = 33.72, Std = 1.1000, ChiSquare = 3.4791e-07 Q123 HB2 = 0.465(S), Expected = 2.05, Std = 0.2800, ChiSquare = 1.5074e-08 Q123 HB3 = 0.733(S), Expected = 2.04, Std = 0.2900, ChiSquare = 6.5783e-06