Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.38 W 0.34 C 0.27 C Shift Assignments>> C :: 174.406 CA :: 55.764 CB :: 29.596 CD2 :: 119.976 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>> HA :: 4.634 HB3 :: 3.142 HD2 :: 7.152 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) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.885 CA :: 60.925 CB :: 38.898 CG1 :: 27.142 CG2 :: 17.451 CD1 :: 12.897 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 :: 8.302 HA :: 4.105 HB :: 1.771 HG12 :: 1.094 HG13 :: 1.394 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 121.6(4.72) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.925 CA :: 56.653 CB :: 30.241 CG :: 36.179 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 :: 8.577 HA :: 4.278 HB2 :: 1.946 HB3 :: 2.050 HG3 :: 2.283 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.351 Ave N Shift Values>> N :: 120.68(3.68) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.071 CA :: 45.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.994 HA3 :: 3.999 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.779 Ave N Shift Values>> N :: 109.91(4.29) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 C Shift Assignments>> C :: 176.156 CA :: 55.915 CB :: 31.117 CG :: 27.030 CD :: 43.420 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 :: 8.233 HA :: 4.448 HB2 :: 1.816 HB3 :: 1.940 HG2 :: 1.664 HG3 :: 1.663 HD2 :: 3.251 HD3 :: 3.251 HE :: 7.217 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.667 NE :: 84.903 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.16 K 0.03 I 0.03 Q 0.02 HN Overlap>> 1.I81 1.L83 1.I81 1.L83 C Shift Assignments>> C :: 175.510 CA :: 56.485 CB :: 31.148 CG :: 36.419 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 :: 8.645 HA :: 4.391 HB2 :: 2.001 HB3 :: 2.091 HG2 :: 2.291 HG3 :: 2.291 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 :: 122.749 Ave N Shift Values>> N :: 120.68(3.68) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.32 M 0.19 I 0.01 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.402 CA :: 55.631 CB :: 31.741 CG :: 36.787 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 :: 8.365 HA :: 4.672 HB2 :: 1.911 HB3 :: 1.912 HG2 :: 2.227 HG3 :: 2.159 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 :: 121.248 Ave N Shift Values>> N :: 120.68(3.68) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.27 C 0.15 M 0.12 K 0.04 C Shift Assignments>> C :: 176.002 CA :: 51.608 CB :: 22.652 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.615 HA :: 4.886 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.498 Ave N Shift Values>> N :: 123.23(3.7) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.23 D 0.11 P 0.05 C 0.05 L 0.05 M 0.03 H 0.03 R 0.02 Q 0.01 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 51.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.102 HA :: 4.874 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 :: 113.380 Ave N Shift Values>> N :: 116.3(3.95) 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.532 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.45 A 0.05 C Shift Assignments>> C :: 176.225 CA :: 56.764 CB :: 32.167 CG :: 32.309 CE :: 16.875 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 :: 7.923 HA :: 4.066 HB2 :: 2.117 HB3 :: 1.905 HG2 :: 2.473 HG3 :: 2.575 HE1 :: 2.047 HE2 :: 2.047 HE3 :: 2.047 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 :: 118.736 Ave N Shift Values>> N :: 120.1(3.88) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.13 I 0.03 K 0.01 HN Overlap>> 1.K145 1.K145 C Shift Assignments>> C :: 177.807 CA :: 56.034 CB :: 31.296 CG :: 37.147 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 :: 7.533 HA :: 4.385 HB3 :: 2.250 HG3 :: 2.366 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 :: 119.626 Ave N Shift Values>> N :: 120.68(3.68) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.42 G 0.07 C Shift Assignments>> C :: 176.944 CA :: 57.988 CB :: 30.091 CG :: 27.133 CD :: 43.229 CZ :: 159.693 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 :: 8.755 HA :: 4.145 HB2 :: 1.871 HB3 :: 1.872 HG2 :: 1.681 HG3 :: 1.690 HD2 :: 3.259 HD3 :: 3.225 HE :: 7.411 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 :: 121.954 NE :: 84.858 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.24 D 0.18 C Shift Assignments>> C :: 175.356 CA :: 52.796 CB :: 37.744 CG :: 177.672 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 :: 8.368 HA :: 4.736 HB2 :: 2.955 HB3 :: 2.855 HD21 :: 7.690 HD22 :: 7.022 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.350 ND2 :: 112.809 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.19 I 0.14 L 0.04 D 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 174.893 CA :: 58.650 CB :: 39.710 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 :: 7.697 HA :: 4.255 HB2 :: 2.975 HB3 :: 3.646 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.805 Ave N Shift Values>> N :: 120.69(4.18) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.15 D 0.12 C Shift Assignments>> C :: 174.280 CA :: 50.704 CB :: 38.138 CG :: 176.916 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 :: 7.762 HA :: 4.769 HB2 :: 2.520 HB3 :: 2.315 HD21 :: 7.359 HD22 :: 6.848 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.233 ND2 :: 110.162 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 175.656 CA :: 64.392 CB :: 31.804 CG1 :: 19.419 CG2 :: 21.889 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 :: 8.181 HA :: 3.351 HB :: 2.174 HG11 :: 1.022 HG12 :: 1.022 HG13 :: 1.022 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 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 :: 123.422 Ave N Shift Values>> N :: 121.02(4.96) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.27 K 0.07 Q 0.02 HN Overlap>> 1.N167 1.N167 C Shift Assignments>> C :: 179.465 CA :: 59.538 CB :: 28.678 CG :: 36.453 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 :: 8.070 HA :: 3.832 HB2 :: 1.944 HB3 :: 1.927 HG2 :: 2.199 HG3 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.156 Ave N Shift Values>> N :: 120.68(3.68) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.17 M 0.01 C Shift Assignments>> C :: 178.311 CA :: 57.625 CB :: 31.948 CG :: 25.651 CD :: 28.840 CE :: 41.409 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 :: 7.334 HA :: 4.046 HB2 :: 1.073 HB3 :: 1.348 HG2 :: 1.087 HG3 :: 1.025 HD2 :: 1.033 HD3 :: 1.128 HE2 :: 2.533 HE3 :: 2.587 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 :: 114.671 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.420 CA :: 61.908 CB :: 38.118 CG1 :: 25.181 CG2 :: 18.513 CD1 :: 14.801 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 :: 7.773 HA :: 4.999 HB :: 2.486 HG12 :: 2.095 HG13 :: 2.104 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 110.671 Ave N Shift Values>> N :: 121.6(4.72) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 C 0.33 N 0.22 C Shift Assignments>> C :: 177.036 CA :: 55.159 CB :: 41.585 CG :: 176.000 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 :: 7.191 HA :: 4.710 HB3 :: 2.807 HD21 :: 7.861 HD22 :: 7.177 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.034 ND2 :: 116.133 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.883 CA :: 44.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.707 HA2 :: 4.545 HA3 :: 3.831 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.682 Ave N Shift Values>> N :: 109.91(4.29) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 M 0.12 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.483 CA :: 57.059 CB :: 30.997 CG :: 36.769 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 :: 8.400 HA :: 4.663 HB2 :: 1.647 HB3 :: 1.884 HG2 :: 2.276 HG3 :: 2.227 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 :: 120.238 Ave N Shift Values>> N :: 120.68(3.68) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 W 0.05 Y 0.02 HN Overlap>> 1.K147 1.K147 C Shift Assignments>> C :: 172.874 CA :: 55.518 CB :: 37.004 CD1 :: 127.186 CZ2 :: 113.583 CH2 :: 123.464 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 :: 7.621 HA :: 4.887 HB2 :: 2.050 HB3 :: 2.921 HD1 :: 6.942 HE1 :: 10.284 HZ2 :: 7.246 HH2 :: 6.612 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 :: 121.486 NE1 :: 128.732 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.38 G 0.02 C Shift Assignments>> C :: 177.037 CA :: 56.603 CB :: 42.288 CD1 :: 133.263 CD2 :: 133.263 CE1 :: 117.478 CE2 :: 117.478 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 :: 9.425 HA :: 4.822 HB2 :: 2.784 HB3 :: 2.461 HD1 :: 6.683 HD2 :: 6.683 HE1 :: 6.580 HE2 :: 6.580 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 :: 115.717 Ave N Shift Values>> N :: 120.79(4.69) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 173.480 CA :: 66.255 CB :: 69.624 CG2 :: 22.511 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 :: 10.269 HA :: 4.387 HB :: 4.439 HG21 :: 1.505 HG22 :: 1.505 HG23 :: 1.505 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.483 Ave N Shift Values>> N :: 115.7(5.05) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 175.168 CA :: 60.721 CB :: 37.873 CG1 :: 26.883 CG2 :: 17.956 CD1 :: 9.638 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.342 HA :: 4.198 HB :: 1.769 HG12 :: 1.220 HG13 :: 1.856 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.594 Ave N Shift Values>> N :: 121.6(4.72) 1.M37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 C 0.45 C Shift Assignments>> C :: 173.984 CA :: 54.533 CB :: 40.585(S) CG :: 33.392 CE :: 18.704 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 :: 7.671 HA :: 5.524 HB2 :: 2.098 HB3 :: 1.347 HG2 :: 2.493 HG3 :: 2.444 HE1 :: 2.147 HE2 :: 2.147 HE3 :: 2.147 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 :: 112.299 Ave N Shift Values>> N :: 120.1(3.88) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.09 L 0.06 G 0.06 HN Overlap>> 1.E137 1.E137 C Shift Assignments>> C :: 174.390 CA :: 53.575 CB :: 48.526(S) CG :: 27.191 CD1 :: 26.031 CD2 :: 23.642 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 :: 8.367 HA :: 5.343 HB2 :: 1.467 HB3 :: 1.641 HG :: 1.584 HD11 :: 1.065 HD12 :: 1.065 HD13 :: 1.065 HD21 :: 1.314 HD22 :: 1.314 HD23 :: 1.314 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.363 Ave N Shift Values>> N :: 121.98(4.07) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 L 0.24 C 0.16 K 0.07 R 0.04 M 0.01 H 0.01 C Shift Assignments>> C :: 175.491 CA :: 50.869 CB :: 24.982 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.972 HA :: 5.630 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.649 Ave N Shift Values>> N :: 123.23(3.7) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 A 0.01 C Shift Assignments>> C :: 170.558 CA :: 59.632 CB :: 69.147 CG2 :: 19.798 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 :: 7.511 HA :: 5.188 HB :: 4.429 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.880 Ave N Shift Values>> N :: 115.7(5.05) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.22 C 0.13 L 0.11 F 0.09 Y 0.09 K 0.02 HN Overlap>> 1.I81 1.I81 C Shift Assignments>> C :: 176.239 CA :: 54.088 CB :: 40.004 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 :: 8.693 HA :: 4.835 HB2 :: 2.628 HB3 :: 3.182 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.632 Ave N Shift Values>> N :: 120.73(4.2) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.31 R 0.25 M 0.02 G 0.01 C Shift Assignments>> C :: 174.724 CA :: 55.014 CB :: 32.008 CG :: 25.701 CD :: 29.401 CE :: 42.137 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 :: 8.525 HA :: 4.554 HB2 :: 1.204 HB3 :: 1.349 HG2 :: 1.231 HG3 :: 0.953 HD2 :: 1.298 HD3 :: 1.278 HE2 :: 2.862 HE3 :: 2.864 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 :: 127.036 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.47 G 0.05 C Shift Assignments>> C :: 176.845 CA :: 60.545 CB :: 30.830 CG :: 28.887 CD :: 42.769 CZ :: 159.632 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 :: 8.162 HA :: 3.334 HB2 :: 1.627 HB3 :: 1.634 HG2 :: 1.816 HG3 :: 1.130 HD2 :: 3.104 HD3 :: 3.200 HE :: 7.431 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 :: 123.694 NE :: 84.929 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 K 0.14 I 0.14 Q 0.09 R 0.01 C Shift Assignments>> C :: 178.500 CA :: 58.852 CB :: 28.315 CG :: 35.582 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 :: 9.272 HA :: 4.052 HB2 :: 1.987 HB3 :: 1.941 HG2 :: 2.087 HG3 :: 2.021 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.912 Ave N Shift Values>> N :: 120.68(3.68) 1.K45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.32 K 0.23 L 0.01 M 0.01 C Shift Assignments>> C :: 177.113 CA :: 56.583 CB :: 30.744 CG :: 23.496 CD :: 26.901 CE :: 41.472 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 :: 7.998 HA :: 3.958 HB2 :: 1.652 HB3 :: 1.298 HG2 :: 0.827 HG3 :: 0.241(S) HD2 :: 1.286 HD3 :: 1.548 HE2 :: 2.644 HE3 :: 2.734 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.445 CA :: 60.696 CB :: 38.280 CG1 :: 25.379 CG2 :: 18.307 CD1 :: 15.446 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 :: 7.525 HA :: 4.422 HB :: 2.050 HG12 :: 1.237 HG13 :: 1.055 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 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 :: 106.049(S) Ave N Shift Values>> N :: 121.6(4.72) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.11 I 0.05 K 0.02 C Shift Assignments>> C :: 175.735 CA :: 56.257 CB :: 30.859 CG :: 37.049 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.559 HA :: 4.075 HB2 :: 1.827 HB3 :: 2.178 HG2 :: 2.554 HG3 :: 2.117 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 :: 121.206 Ave N Shift Values>> N :: 120.68(3.68) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.31 E 0.28 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.003 CA :: 60.287 CB :: 29.312 CG :: 36.513 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 :: 8.868 HA :: 3.685 HB2 :: 1.598 HB3 :: 1.820 HG2 :: 1.975 HG3 :: 1.986 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 :: 119.042 Ave N Shift Values>> N :: 120.68(3.68) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.34 C 0.27 C Shift Assignments>> C :: 174.837 CA :: 57.181 CB :: 27.394 CD2 :: 119.846 CE1 :: 136.538 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 :: 8.465 HA :: 4.619 HB2 :: 3.469 HB3 :: 3.550 HD2 :: 7.246 HE1 :: 8.532 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 :: 116.343 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 176.828 CA :: 45.256 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.848 HA2 :: 3.670 HA3 :: 4.108 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.765 Ave N Shift Values>> N :: 109.91(4.29) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.878 CA :: 60.431 CB :: 62.343 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.925 HA :: 3.944 HB2 :: 3.601 HB3 :: 3.671 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 :: 119.938 Ave N Shift Values>> N :: 116.3(3.95) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.24 C 0.24 C Shift Assignments>> C :: 174.838 CA :: 53.202 CB :: 31.072 CG :: 33.473 CE :: 19.197 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 :: 7.931 HA :: 4.736 HB2 :: 1.661 HB3 :: 2.207 HG2 :: 2.743 HG3 :: 2.816 HE1 :: 2.130 HE2 :: 2.130 HE3 :: 2.130 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.768 Ave N Shift Values>> N :: 120.1(3.88) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.29 R 0.14 C Shift Assignments>> C :: 172.171 CA :: 54.075 CB :: 27.749 CG :: 30.086 CD :: 43.753 CZ :: 159.898 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 :: 7.085 HA :: 3.912 HB2 :: 1.037 HB3 :: 1.835 HG2 :: 1.198 HG3 :: 1.347 HD2 :: 3.219 HD3 :: 2.844 HE :: 7.498 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 :: 124.588 NE :: 85.063 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 A 0.06 V 0.01 C Shift Assignments>> C :: 175.608 CA :: 57.377 CB :: 33.810 CG1 :: 16.991 CG2 :: 22.053 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 :: 6.746 HA :: 4.300 HB :: 1.294 HG11 :: -0.071(S) HG12 :: -0.071(S) HG13 :: -0.071(S) HG21 :: 0.282 HG22 :: 0.282 HG23 :: 0.282 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 :: 111.224 Ave N Shift Values>> N :: 121.02(4.96) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 176.886 CA :: 54.210 CB :: 39.872 CD1 :: 132.304 CD2 :: 132.304 CE1 :: 130.975 CE2 :: 130.975 CZ :: 129.737 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.850 HA :: 5.174 HB2 :: 2.845 HB3 :: 3.654 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 6.864 HE2 :: 6.864 HZ :: 6.769 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.213 Ave N Shift Values>> N :: 120.69(4.18) 1.V56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 V 0.29 I 0.01 HN Overlap>> 1.I74 1.I74 C Shift Assignments>> C :: 172.133 CA :: 62.166 CB :: 32.218 CG1 :: 17.472 CG2 :: 20.866 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 :: 8.780 HA :: 3.574 HB :: 1.119 HG11 :: -0.345(S) HG12 :: -0.345(S) HG13 :: -0.345(S) HG21 :: -0.077 HG22 :: -0.077 HG23 :: -0.077 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.936 Ave N Shift Values>> N :: 121.02(4.96) 1.E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 E 0.37 M 0.14 I 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.366 CA :: 57.275 CB :: 31.296 CG :: 36.580 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 :: 8.620 HA :: 4.529 HB2 :: 0.958(S) HB3 :: 2.067 HG2 :: 2.098 HG3 :: 2.037 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 :: 123.754 Ave N Shift Values>> N :: 120.68(3.68) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 173.532 CA :: 54.938 CB :: 40.871 CD1 :: 133.372 CD2 :: 133.372 CE1 :: 117.795 CE2 :: 117.795 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.542 HA :: 5.292 HB2 :: 2.546 HB3 :: 2.813 HD1 :: 6.507 HD2 :: 6.507 HE1 :: 6.335 HE2 :: 6.335 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 :: 108.939 Ave N Shift Values>> N :: 120.79(4.69) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.26 C Shift Assignments>> C :: 175.335 CA :: 61.478 CB :: 40.934 CG1 :: 26.474 CG2 :: 17.605 CD1 :: 11.807 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 :: 8.707 HA :: 4.415 HB :: 2.003 HG12 :: 1.460 HG13 :: 0.709 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.328 HD12 :: 0.328 HD13 :: 0.328 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 :: 116.352 Ave N Shift Values>> N :: 121.6(4.72) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 C 0.38 W 0.12 C Shift Assignments>> C :: 174.250 CA :: 51.175 CB :: 30.277 CD2 :: 116.105 CE1 :: 136.236 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 :: 10.105 HA :: 5.827 HB2 :: 3.164 HB3 :: 3.230 HD2 :: 6.842 HE1 :: 7.694 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 :: 127.007 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.D164 1.D164 C Shift Assignments>> C :: 175.226 CA :: 64.279 CB :: 31.815 CG1 :: 21.371 CG2 :: 22.177 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.886 HA :: 3.977 HB :: 2.033 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.281 Ave N Shift Values>> N :: 121.02(4.96) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.23 R 0.1 A 0.05 G 0.03 C Shift Assignments>> C :: 176.322 CA :: 53.511 CB :: 42.547 CG :: 27.493 CD1 :: 23.177 CD2 :: 25.329 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 :: 8.210 HA :: 4.765 HB2 :: 1.636 HB3 :: 1.759 HG :: 1.601 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.234 Ave N Shift Values>> N :: 121.98(4.07) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.2 K 0.09 Q 0.04 M 0.01 HN Overlap>> 1.F148 1.F148 C Shift Assignments>> C :: 177.428 CA :: 59.668 CB :: 29.081 CG :: 35.922 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 :: 8.383 HA :: 4.012 HB2 :: 1.945 HB3 :: 2.051 HG2 :: 2.259 HG3 :: 2.263 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 :: 120.116 Ave N Shift Values>> N :: 120.68(3.68) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.46 N 0.35 C 0.17 C Shift Assignments>> C :: 174.021 CA :: 53.459 CB :: 40.047 CG :: 177.834 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.866 HA :: 4.914 HB2 :: 2.785 HB3 :: 3.086 HD21 :: 7.710 HD22 :: 6.983 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.354 ND2 :: 114.475 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 172.651 CA :: 57.721 CB :: 66.547 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.509 HA :: 5.440 HB2 :: 3.729 HB3 :: 4.154 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.612 Ave N Shift Values>> N :: 116.3(3.95) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.31 C 0.14 A 0.01 C Shift Assignments>> C :: 174.773 CA :: 53.405 CB :: 45.379 CG :: 26.694 CD1 :: 24.314 CD2 :: 24.006 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.164 HA :: 5.063 HB2 :: 1.056 HB3 :: 1.529 HG :: 1.209 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.076 HD22 :: 0.076 HD23 :: 0.076 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 :: 119.092 Ave N Shift Values>> N :: 121.98(4.07) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.11 C 0.03 L 0.01 C Shift Assignments>> C :: 176.099 CA :: 51.222 CB :: 20.044 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.542 HA :: 5.167 HB1 :: 1.635 HB2 :: 1.635 HB3 :: 1.635 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.552 Ave N Shift Values>> N :: 123.23(3.7) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.25 L 0.19 R 0.02 C Shift Assignments>> C :: 174.804 CA :: 53.980 CB :: 45.698 CG :: 27.673 CD1 :: 25.935 CD2 :: 26.156 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.158 HA :: 4.836 HB2 :: 1.081 HB3 :: 1.445 HG :: 1.509 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 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 :: 122.954 Ave N Shift Values>> N :: 121.98(4.07) 1.K69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.32 C 0.32 R 0.29 M 0.02 G 0.02 C Shift Assignments>> C :: 173.720 CA :: 54.072 CB :: 33.983 CG :: 25.553 CD :: 29.927 CE :: 42.589 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 :: 6.723 HA :: 4.662 HB2 :: 0.785(S) HB3 :: -0.131(S) HG2 :: 0.123(S) HG3 :: 0.160(S) HD2 :: 0.988 HD3 :: 1.401 HE2 :: 2.437 HE3 :: 1.966(S) 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 :: 121.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 F 0.29 C 0.21 C Shift Assignments>> C :: 174.265 CA :: 54.912 CB :: 44.464 CD1 :: 131.025 CD2 :: 131.025 CE1 :: 131.024 CE2 :: 131.024 CZ :: 128.199 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.695 HA :: 4.961 HB2 :: 2.150 HB3 :: 2.614 HD1 :: 6.399 HD2 :: 6.399 HE1 :: 6.897 HE2 :: 6.897 HZ :: 6.706 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.440 Ave N Shift Values>> N :: 120.69(4.18) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.12 H 0.03 Y 0.01 C Shift Assignments>> C :: 173.744 CA :: 57.607 CB :: 35.691 CD2 :: 114.876 CE1 :: 137.713 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 :: 8.863 HA :: 5.520 HB2 :: 2.833 HB3 :: 3.213 HD2 :: 6.515 HE1 :: 7.754 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.731 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.26 G 0.06 C Shift Assignments>> C :: 172.752 CA :: 59.762 CB :: 42.617 CG1 :: 28.897 CG2 :: 14.908 CD1 :: 13.587 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.057 HA :: 4.521 HB :: 1.504 HG12 :: 1.624 HG13 :: 0.966 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 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 :: 120.035 Ave N Shift Values>> N :: 121.6(4.72) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 176.365 CA :: 61.787 CB :: 36.953 CG1 :: 29.335 CG2 :: 17.238 CD1 :: 13.404 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 :: 8.819 HA :: 4.713 HB :: 1.812 HG12 :: 0.798 HG13 :: 1.818 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.129 Ave N Shift Values>> N :: 121.6(4.72) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 176.516 CA :: 60.535 CB :: 40.505 CG1 :: 27.539 CG2 :: 16.994 CD1 :: 13.113 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 :: 8.778 HA :: 4.218 HB :: 1.684 HG12 :: 1.500 HG13 :: 0.967 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.944 Ave N Shift Values>> N :: 121.6(4.72) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 N 0.33 D 0.12 E 0.06 C Shift Assignments>> C :: 174.382 CA :: 54.635 CB :: 37.001 CG :: 178.110 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.530 HA :: 4.386 HB2 :: 2.818 HB3 :: 3.021 HD21 :: 7.704 HD22 :: 6.857 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.743 ND2 :: 113.353 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.41 E 0.27 I 0.21 K 0.07 Q 0.01 C Shift Assignments>> C :: 174.987 CA :: 57.964 CB :: 27.790 CG :: 36.734 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 :: 8.413 HA :: 3.649 HB2 :: 2.261 HB3 :: 2.256 HG2 :: 2.117 HG3 :: 2.219 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 :: 107.499(A) Ave N Shift Values>> N :: 120.68(3.68) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.28 E 0.19 Q 0.01 C Shift Assignments>> C :: 175.721 CA :: 54.682 CB :: 32.780 CG :: 36.223 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 :: 7.852 HA :: 4.750 HB2 :: 1.924 HB3 :: 2.031 HG2 :: 2.210 HG3 :: 2.322 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 :: 119.739 Ave N Shift Values>> N :: 120.68(3.68) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.18 R 0.14 L 0.09 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.691 CA :: 58.843 CB :: 44.844 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.956 HA :: 4.762 HB2 :: 2.463 HB3 :: 3.116 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 :: 122.488 Ave N Shift Values>> N :: 119.95(4.79) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.325 CA :: 57.615 CB :: 65.003 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.703 HA :: 4.845 HB2 :: 3.735 HB3 :: 3.862 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.394 Ave N Shift Values>> N :: 116.3(3.95) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.32 M 0.2 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 176.454 CA :: 56.441 CB :: 31.981 CG :: 36.573 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 :: 8.546 HA :: 4.522 HB2 :: 1.464 HB3 :: 1.852 HG2 :: 1.939 HG3 :: 2.291 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 :: 122.564 Ave N Shift Values>> N :: 120.68(3.68) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.32 G 0.02 HN Overlap>> 1.E15 1.D41 1.E15 1.D41 C Shift Assignments>> C :: 173.460 CA :: 60.837 CB :: 42.079 CG1 :: 26.752 CG2 :: 17.072 CD1 :: 13.757 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 :: 8.709 HA :: 4.192 HB :: 1.255 HG12 :: 0.839 HG13 :: 1.219 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 HD11 :: 0.493 HD12 :: 0.493 HD13 :: 0.493 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 :: 122.703 Ave N Shift Values>> N :: 121.6(4.72) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 175.461 CA :: 57.106 CB :: 40.538 CD1 :: 131.896 CD2 :: 131.896 CE1 :: 131.136 CE2 :: 131.136 CZ :: 129.128 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.574 HA :: 5.117 HB2 :: 2.849 HB3 :: 3.091 HD1 :: 7.219 HD2 :: 7.219 HE1 :: 7.333 HE2 :: 7.333 HZ :: 7.190 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 :: 125.008 Ave N Shift Values>> N :: 120.69(4.18) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.22 A 0.17 L 0.13 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 175.466 CA :: 53.098 CB :: 47.535 CG :: 26.848 CD1 :: 22.925 CD2 :: 24.466 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 :: 8.685 HA :: 4.956 HB2 :: 1.405 HB3 :: 1.475 HG :: 1.349 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.352 HD22 :: 0.352 HD23 :: 0.352 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 :: 122.852 Ave N Shift Values>> N :: 121.98(4.07) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 174.459 CA :: 61.821 CB :: 33.697 CG1 :: 21.449 CG2 :: 21.380 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 :: 8.604 HA :: 4.828 HB :: 2.004 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.613 Ave N Shift Values>> N :: 121.02(4.96) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.18 L 0.13 M 0.07 G 0.06 C Shift Assignments>> C :: 176.247 CA :: 49.363 CB :: 22.188 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.558 HA :: 5.387 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.560 Ave N Shift Values>> N :: 123.23(3.7) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.24 R 0.18 C 0.12 D 0.07 F 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 176.161 CA :: 53.882 CB :: 44.106 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 :: 8.759 HA :: 5.203 HB2 :: 2.490 HB3 :: 2.763 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.057 Ave N Shift Values>> N :: 120.73(4.2) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 HN Overlap>> 1.N102 1.N102 C Shift Assignments>> C :: 178.042 CA :: 57.436 CB :: 33.003 CG :: 25.009 CD :: 29.006 CE :: 42.129 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 :: 8.245 HA :: 3.924 HB2 :: 1.552 HB3 :: 1.860 HG2 :: 1.350 HG3 :: 1.267 HD2 :: 1.580 HD3 :: 1.498 HE2 :: 2.962 HE3 :: 2.980 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 :: 121.579 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 174.506 CA :: 60.290 CB :: 69.125 CG2 :: 21.979 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 :: 7.818 HA :: 4.693 HB :: 4.543 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.290 Ave N Shift Values>> N :: 115.7(5.05) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 K 0.12 I 0.1 Q 0.05 M 0.02 C Shift Assignments>> C :: 176.722 CA :: 57.296 CB :: 28.785 CG :: 36.255 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 :: 8.775 HA :: 4.194 HB2 :: 1.947 HB3 :: 2.087 HG2 :: 2.170 HG3 :: 2.294 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 :: 117.073 Ave N Shift Values>> N :: 120.68(3.68) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.34 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 175.976 CA :: 55.168 CB :: 32.872 CG :: 25.126 CD :: 28.887 CE :: 42.221 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 :: 8.001 HA :: 4.257 HB2 :: 1.428 HB3 :: 1.514 HG2 :: 1.150 HG3 :: 1.284 HD3 :: 1.561 HE2 :: 2.871 HE3 :: 2.874 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.369 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 178.509 CA :: 53.780 CB :: 18.099 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.381 HA :: 3.982 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.575 Ave N Shift Values>> N :: 123.23(3.7) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 172.605 CA :: 46.334 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.539 HA2 :: 3.541 HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.888 Ave N Shift Values>> N :: 109.91(4.29) 1.E93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 E 0.14 M 0.1 I 0.01 C Shift Assignments>> C :: 174.359 CA :: 54.868 CB :: 32.687 CG :: 38.157 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 :: 7.330 HA :: 4.947 HB2 :: 2.029 HB3 :: 1.247(S) HG2 :: 1.930 HG3 :: 2.462 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 :: 120.513 Ave N Shift Values>> N :: 120.68(3.68) 1.Y94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.59 C 0.36 G 0.04 C Shift Assignments>> C :: 174.485 CA :: 56.458 CB :: 42.560 CD1 :: 132.660 CD2 :: 132.660 CE1 :: 117.206 CE2 :: 117.206 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 :: 8.651 HA :: 5.006 HB2 :: 0.923(S) HB3 :: 2.084 HD1 :: 6.490 HD2 :: 6.490 HE1 :: 6.412 HE2 :: 6.412 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.849 Ave N Shift Values>> N :: 120.79(4.69) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.057 CA :: 55.558 CB :: 66.037 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.489 HA :: 5.580 HB2 :: 3.584 HB3 :: 3.866 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 :: 114.317 Ave N Shift Values>> N :: 116.3(3.95) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.31 I 0.07 C Shift Assignments>> C :: 173.708 CA :: 60.474 CB :: 35.248 CG1 :: 23.016 CG2 :: 19.456 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 :: 8.752 HA :: 4.863 HB :: 2.219 HG11 :: 1.043 HG12 :: 1.043 HG13 :: 1.043 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 119.890 Ave N Shift Values>> N :: 121.02(4.96) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.625 CA :: 63.472 CB :: 69.131 CG2 :: 21.605 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 :: 9.342 HA :: 4.736 HB :: 4.169 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 129.434 Ave N Shift Values>> N :: 115.7(5.05) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 172.787 CA :: 60.223 CB :: 38.393 CD1 :: 132.686 CD2 :: 132.686 CE1 :: 117.410 CE2 :: 117.410 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 :: 8.652 HA :: 4.185 HB2 :: 2.087 HB3 :: 3.497 HD1 :: 6.744 HD2 :: 6.744 HE1 :: 6.693 HE2 :: 6.693 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 :: 127.567 Ave N Shift Values>> N :: 120.79(4.69) 1.D99 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.24 D 0.23 C 0.15 Y 0.12 F 0.11 L 0.08 K 0.01 I 0.01 C Shift Assignments>> C :: 174.482 CA :: 54.479 CB :: 39.471 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 :: 8.599 HA :: 3.850 HB2 :: 1.239(A) HB3 :: 2.554 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.440 Ave N Shift Values>> N :: 120.73(4.2) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.17 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 173.165 CA :: 42.427 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.830 HA2 :: 3.652 HA3 :: 4.525 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.330 Ave N Shift Values>> N :: 109.91(4.29) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.854 CA :: 57.574 CB :: 64.413 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.382 HA :: 4.781 HB2 :: 3.842 HB3 :: 3.759 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 :: 113.823 Ave N Shift Values>> N :: 116.3(3.95) 1.N102 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.48 D 0.2 G 0.17 N 0.14 HN Overlap>> 1.K87 1.K87 C Shift Assignments>> C :: 176.385 CA :: 52.262 CB :: 42.581 CG :: 174.333 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 :: 8.238 HA :: 6.336(A) HB2 :: 2.171 HB3 :: 3.042 HD21 :: 8.197 HD22 :: 6.730 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.570 ND2 :: 115.616 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.653 CA :: 60.053 CB :: 71.104 CG2 :: 21.922 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 :: 8.859 HA :: 5.527 HB :: 3.989 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.162 Ave N Shift Values>> N :: 115.7(5.05) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.33 G 0.06 C Shift Assignments>> C :: 175.635 CA :: 56.222 CB :: 42.863 CD1 :: 132.051 CD2 :: 132.051 CE1 :: 129.632 CE2 :: 129.632 CZ :: 128.303 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 :: 9.379 HA :: 5.951 HB2 :: 2.749 HB3 :: 3.017 HD1 :: 6.689 HD2 :: 6.689 HE1 :: 6.625 HE2 :: 6.625 HZ :: 6.518 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 :: 118.931 Ave N Shift Values>> N :: 120.69(4.18) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.29 C Shift Assignments>> C :: 173.830 CA :: 59.419 CB :: 72.181 CG2 :: 21.613 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 :: 8.963 HA :: 4.908 HB :: 3.949 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 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 :: 110.522 Ave N Shift Values>> N :: 115.7(5.05) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 M 0.01 C Shift Assignments>> C :: 175.191 CA :: 60.157 CB :: 37.338 CG1 :: 29.066 CG2 :: 18.604 CD1 :: 13.621 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 :: 8.385 HA :: 4.524 HB :: 1.711 HG12 :: 1.147 HG13 :: 1.517 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 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 :: 122.244 Ave N Shift Values>> N :: 121.6(4.72) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.3 R 0.12 G 0.1 C Shift Assignments>> C :: 177.276 CA :: 57.030 CB :: 43.487 CG :: 26.772 CD1 :: 23.755 CD2 :: 25.904 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 :: 8.313 HA :: 4.146 HB2 :: 1.416 HB3 :: 1.475 HG :: 1.572 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 128.159 Ave N Shift Values>> N :: 121.98(4.07) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.23 K 0.2 C Shift Assignments>> C :: 174.866 CA :: 56.005 CB :: 37.362 CG :: 25.305 CD :: 28.805 CE :: 41.624 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 :: 7.249 HA :: 4.669 HB2 :: 1.850 HB3 :: 1.893 HG2 :: 1.440 HG3 :: 1.556 HD2 :: 1.604 HD3 :: 1.864 HE2 :: 2.882 HE3 :: 2.973 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.110 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.32 A 0.02 C Shift Assignments>> C :: 169.515 CA :: 59.936 CB :: 70.228 CG2 :: 18.150 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.646 HA :: 4.308 HB :: 4.088 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.410 Ave N Shift Values>> N :: 115.7(5.05) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.12 R 0.11 K 0.08 N 0.06 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 179.407 CA :: 52.377 CB :: 42.525 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 :: 6.809 HA :: 4.856 HB2 :: 2.412 HB3 :: 3.197 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.511 Ave N Shift Values>> N :: 120.73(4.2) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.276 CA :: 64.615 CB :: 37.040 CD1 :: 133.046 CD2 :: 133.046 CE1 :: 118.044 CE2 :: 118.044 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 :: 8.994 HA :: 3.819 HB2 :: 2.935 HB3 :: 3.655 HD1 :: 6.838 HD2 :: 6.838 HE1 :: 6.521 HE2 :: 6.521 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.970 Ave N Shift Values>> N :: 120.79(4.69) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.22 D 0.12 K 0.11 C 0.1 F 0.05 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 176.001 CA :: 55.192 CB :: 42.911 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.276 HA :: 4.559 HB2 :: 2.419 HB3 :: 2.780 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 :: 119.825 Ave N Shift Values>> N :: 120.73(4.2) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 C 0.43 N 0.07 G 0.01 HN Overlap>> 1.Y114 1.Y114 C Shift Assignments>> C :: 174.264 CA :: 56.739 CB :: 42.028 CG :: 177.243 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.368 HA :: 5.178 HB2 :: 2.816 HB3 :: 3.772 HD21 :: 8.760 HD22 :: 7.132 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 :: 116.720 ND2 :: 117.251 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.56 C 0.26 Y 0.16 HN Overlap>> 1.N113 1.N113 C Shift Assignments>> C :: 174.131 CA :: 56.768 CB :: 44.664 CD1 :: 133.616 CD2 :: 133.616 CE1 :: 117.432 CE2 :: 117.432 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 :: 9.450 HA :: 6.539(S) HB2 :: 2.895 HB3 :: 3.135 HD1 :: 6.823 HD2 :: 6.823 HE1 :: 6.594 HE2 :: 6.594 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.714 Ave N Shift Values>> N :: 120.79(4.69) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 G 0.03 C Shift Assignments>> C :: 172.032 CA :: 61.247 CB :: 42.247 CG1 :: 29.560 CG2 :: 16.839 CD1 :: 14.414 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.876 HA :: 4.384 HB :: 1.138 HG12 :: 0.456 HG13 :: 1.225 HG21 :: -0.077 HG22 :: -0.077 HG23 :: -0.077 HD11 :: 0.245 HD12 :: 0.245 HD13 :: 0.245 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 :: 120.956 Ave N Shift Values>> N :: 121.6(4.72) 1.M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 A 0.33 C 0.31 C Shift Assignments>> C :: 174.783 CA :: 54.479 CB :: 33.615 CG :: 33.629 CE :: 18.023 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 :: 8.901 HA :: 5.607 HB2 :: 2.723 HB3 :: 1.641 HG2 :: 2.151 HG3 :: 2.682 HE1 :: 1.759 HE2 :: 1.759 HE3 :: 1.759 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.764 Ave N Shift Values>> N :: 120.1(3.88) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 G 0.01 C Shift Assignments>> C :: 174.097 CA :: 59.692 CB :: 42.080 CG1 :: 28.241 CG2 :: 17.329 CD1 :: 12.255 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.057 HA :: 4.662 HB :: 1.153 HG12 :: 0.610 HG13 :: 0.970 HG21 :: 0.523 HG22 :: 0.523 HG23 :: 0.523 HD11 :: 0.056 HD12 :: 0.056 HD13 :: 0.056 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.539 Ave N Shift Values>> N :: 121.6(4.72) 1.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 H 0.24 W 0.08 Y 0.02 C Shift Assignments>> C :: 172.126 CA :: 55.417 CB :: 33.929 CD2 :: 116.277 CE1 :: 135.912 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 :: 8.520 HA :: 5.246 HB2 :: 2.597 HB3 :: 3.061 HD2 :: 6.684 HE1 :: 8.133 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 :: 126.523 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.27 C 0.25 R 0.01 C Shift Assignments>> C :: 173.899 CA :: 53.965 CB :: 45.987 CG :: 27.537 CD1 :: 25.800 CD2 :: 24.533 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.366 HA :: 5.306 HB2 :: 1.277 HB3 :: 1.669 HG :: 1.578 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 132.434 Ave N Shift Values>> N :: 121.98(4.07) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.059 CA :: 60.276 CB :: 40.185 CG1 :: 27.490 CG2 :: 17.630 CD1 :: 13.112 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.148 HA :: 4.533 HB :: 1.656 HG12 :: 1.288 HG13 :: 0.900 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.963 Ave N Shift Values>> N :: 121.6(4.72) 1.N121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 C 0.29 N 0.2 G 0.11 C Shift Assignments>> C :: 173.617 CA :: 52.612 CB :: 42.728 CG :: 175.702 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 :: 8.388 HA :: 5.093 HB2 :: 0.752(S) HB3 :: 1.960 HD21 :: 8.391 HD22 :: 6.875 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.916 ND2 :: 113.219 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 175.584 CA :: 55.058 CB :: 35.426 CG :: 25.269 CD :: 29.447 CE :: 42.104 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 :: 8.724 HA :: 5.058 HB2 :: 1.530 HB3 :: 1.681 HG2 :: 1.299 HG3 :: 1.241 HD2 :: 1.536 HD3 :: 1.521 HE2 :: 2.815 HE3 :: 2.823 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 :: 124.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 176.033 CA :: 56.796 CB :: 34.683 CG :: 24.957 CD :: 28.958 CE :: 42.264 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 :: 8.444 HA :: 4.372 HB2 :: 1.795 HB3 :: 1.972 HG2 :: 1.254 HG3 :: 1.112 HD2 :: 1.500 HD3 :: 1.395 HE2 :: 2.848 HE3 :: 2.778 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 :: 126.038 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 F 0.18 D 0.18 C 0.17 N 0.1 L 0.09 I 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 175.644 CA :: 55.849 CB :: 39.651 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.375 HA :: 4.288 HB2 :: 2.633 HB3 :: 2.920 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 :: 128.232 Ave N Shift Values>> N :: 120.73(4.2) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.163 CA :: 45.669 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.634 HA3 :: 4.131 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.851 Ave N Shift Values>> N :: 109.91(4.29) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.28 E 0.22 Q 0.01 C Shift Assignments>> C :: 176.438 CA :: 54.939 CB :: 32.569 CG :: 36.229 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 :: 8.008 HA :: 4.757 HB2 :: 2.132 HB3 :: 2.046 HG2 :: 2.213 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.852 Ave N Shift Values>> N :: 120.68(3.68) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.720 CA :: 60.325 CB :: 71.830 CG2 :: 20.380 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 :: 8.757 HA :: 5.776 HB :: 3.917 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.624 Ave N Shift Values>> N :: 115.7(5.05) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.46 C Shift Assignments>> C :: 172.047 CA :: 57.275 CB :: 41.318 CD1 :: 133.226 CD2 :: 133.226 CE1 :: 130.719 CE2 :: 130.719 CZ :: 128.454 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.375 HA :: 5.117 HB2 :: 3.057 HB3 :: 3.551 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 7.109 HE2 :: 7.109 HZ :: 7.029 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 120.69(4.18) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 E 0.09 Q 0.04 C Shift Assignments>> C :: 175.015 CA :: 53.700 CB :: 34.242 CG :: 34.706 CD :: 181.071 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 :: 10.113 HA :: 5.422 HB2 :: 1.957 HB3 :: 2.014 HG2 :: 2.364 HG3 :: 2.497 HE21 :: 7.492 HE22 :: 7.396 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 :: 117.600 NE2 :: 111.072 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.24 L 0.05 C Shift Assignments>> C :: 174.585 CA :: 53.522 CB :: 47.537 CG :: 27.965 CD1 :: 25.107 CD2 :: 27.306 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.898 HA :: 5.367 HB2 :: 1.356 HB3 :: 1.970 HG :: 1.510 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 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 :: 126.923 Ave N Shift Values>> N :: 121.98(4.07) 1.M131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.37 A 0.23 C Shift Assignments>> C :: 176.241 CA :: 53.015 CB :: 35.521 CG :: 32.934 CE :: 15.921 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.654 HA :: 5.670 HB2 :: 1.637 HB3 :: 2.058 HG2 :: 2.277 HG3 :: 2.281 HE1 :: 1.258 HE2 :: 1.258 HE3 :: 1.258 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 :: 124.409 Ave N Shift Values>> N :: 120.1(3.88) 1.E132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.49 C 0.36 Q 0.09 E 0.02 K 0.01 C Shift Assignments>> C :: 172.946 CA :: 53.862 CB :: 32.539 CG :: 32.851 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 :: 9.111 HA :: 5.187 HB2 :: 2.039 HB3 :: 2.187 HG3 :: 1.404(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.929 Ave N Shift Values>> N :: 120.68(3.68) 1.L133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.2 R 0.13 G 0.07 A 0.01 HN Overlap>> 1.E153 1.E153 C Shift Assignments>> C :: 175.175 CA :: 52.953 CB :: 42.918 CG :: 27.365 CD1 :: 26.520 CD2 :: 23.983 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 :: 8.342 HA :: 4.958 HB2 :: -0.491(S) HB3 :: 1.062 HG :: 1.069 HD11 :: 0.469 HD12 :: 0.469 HD13 :: 0.469 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 125.123 Ave N Shift Values>> N :: 121.98(4.07) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Y 0.26 C Shift Assignments>> C :: 175.744 CA :: 51.426 CB :: 39.748 CD1 :: 130.073 CD2 :: 130.073 CE1 :: 117.795 CE2 :: 117.795 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 :: 9.169 HA :: 6.348 HB2 :: 2.784 HB3 :: 3.335 HD1 :: 6.409 HD2 :: 6.409 HE1 :: 6.410 HE2 :: 6.410 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 :: 126.506 Ave N Shift Values>> N :: 120.79(4.69) 1.G135 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.27 G 0.26 L 0.25 C 0.1 D 0.03 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.843 CA :: 44.065 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.728 HA2 :: 3.987 HA3 :: 6.252(A) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.245 Ave N Shift Values>> N :: 109.91(4.29) 1.R136 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 R 0.47 G 0.02 C Shift Assignments>> C :: 176.293 CA :: 55.914 CB :: 31.428 CG :: 25.781 CD :: 42.393 CZ :: 159.712 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 :: 8.535 HA :: 3.940 HB2 :: 1.813 HB3 :: 1.935 HG2 :: 1.157 HG3 :: 0.897 HD2 :: 2.386 HD3 :: 1.548(S) HE :: 7.256 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 :: 121.081 NE :: 84.600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.28 M 0.19 K 0.04 Q 0.03 HN Overlap>> 1.L38 1.N169 1.L38 1.N169 C Shift Assignments>> CA :: 53.397 CB :: 30.815 CG :: 36.277 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 :: 8.325 HA :: 4.480 HB2 :: 1.935 HB3 :: 2.165 HG2 :: 2.319 HG3 :: 2.223 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.323 Ave N Shift Values>> N :: 120.68(3.68) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 174.938 CA :: 63.601 CB :: 31.116 CG :: 26.311 CD :: 49.797 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.328 HB2 :: 1.538 HB3 :: 1.661 HG2 :: 0.837 HG3 :: 1.609 HD2 :: 2.902 HD3 :: 3.338 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 G 0.25 D 0.14 R 0.13 C 0.13 K 0.02 N 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.530 CA :: 51.992 CB :: 43.538 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 :: 7.167 HA :: 4.837 HB2 :: 2.409 HB3 :: 2.485 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.924 Ave N Shift Values>> N :: 120.73(4.2) 1.L140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.05 G 0.02 L 0.01 C Shift Assignments>> C :: 175.731 CA :: 52.724 CB :: 49.132(S) CG :: 26.972 CD1 :: 27.594 CD2 :: 24.229 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 :: 8.824 HA :: 4.787 HB2 :: 1.294 HB3 :: 1.634 HG :: 1.592 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 HD21 :: 1.298 HD22 :: 1.298 HD23 :: 1.298 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 :: 119.997 Ave N Shift Values>> N :: 121.98(4.07) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.782 CA :: 58.365 CB :: 64.154 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.149 HA :: 4.260 HB2 :: 3.947 HB3 :: 4.234 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 :: 114.137 Ave N Shift Values>> N :: 116.3(3.95) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.272 CA :: 61.255 CB :: 62.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.996 HA :: 4.307 HB3 :: 3.972 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 :: 118.391 Ave N Shift Values>> N :: 116.3(3.95) 1.D143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 178.740 CA :: 56.959 CB :: 39.787 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 :: 8.563 HA :: 4.332 HB2 :: 2.529 HB3 :: 2.632 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 :: 120.482 Ave N Shift Values>> N :: 120.73(4.2) 1.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.A174 1.A174 C Shift Assignments>> C :: 177.931 CA :: 63.435 CB :: 36.771 CG1 :: 28.412 CG2 :: 18.666 CD1 :: 12.271 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 :: 7.378 HA :: 3.466 HB :: 1.790 HG12 :: 0.905 HG13 :: 1.388 HG21 :: 0.370 HG22 :: 0.370 HG23 :: 0.370 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 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 :: 121.874 Ave N Shift Values>> N :: 121.6(4.72) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 K 0.19 G 0.02 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 179.085 CA :: 60.965 CB :: 32.190 CG :: 26.796 CD :: 29.954 CE :: 42.260 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 :: 7.456 HA :: 3.757 HB2 :: 1.864 HB3 :: 1.849 HG2 :: 0.990 HG3 :: 1.381 HD2 :: 1.564 HD3 :: 1.683 HE2 :: 3.076 HE3 :: 2.486 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 :: 119.643 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.27 K 0.15 I 0.11 Q 0.1 M 0.01 R 0.01 C Shift Assignments>> C :: 178.694 CA :: 58.558 CB :: 28.519 CG :: 35.567 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 :: 8.270 HA :: 4.204 HB2 :: 1.939 HB3 :: 2.107 HG2 :: 2.370 HG3 :: 2.234 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 :: 119.429 Ave N Shift Values>> N :: 120.68(3.68) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.02 HN Overlap>> 1.W33 1.W33 C Shift Assignments>> C :: 179.214 CA :: 58.986 CB :: 31.590 CG :: 24.699 CD :: 28.965 CE :: 41.535 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 :: 7.690 HA :: 4.001 HB2 :: 1.750 HB3 :: 1.859 HG2 :: 1.344 HG3 :: 1.449 HD3 :: 1.533 HE2 :: 2.820 HE3 :: 2.886 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 :: 121.447 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 177.804 CA :: 61.199 CB :: 39.569 CD1 :: 132.975 CD2 :: 132.975 CE1 :: 130.457 CE2 :: 130.457 CZ :: 128.237 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.387 HA :: 4.219 HB2 :: 2.998 HB3 :: 3.367 HD1 :: 7.261 HD2 :: 7.261 HE1 :: 7.218 HE2 :: 7.218 HZ :: 7.136 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.054 Ave N Shift Values>> N :: 120.69(4.18) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.27 I 0.06 C 0.02 C Shift Assignments>> C :: 179.132 CA :: 55.568 CB :: 17.722 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.465 HA :: 3.724 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.644 Ave N Shift Values>> N :: 123.23(3.7) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.4 E 0.13 C Shift Assignments>> C :: 179.171 CA :: 59.004 CB :: 27.885 CG :: 33.605 CD :: 180.240 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 :: 8.314 HA :: 4.012 HB2 :: 2.061 HB3 :: 2.107 HG2 :: 2.542 HG3 :: 2.251 HE21 :: 7.997 HE22 :: 6.730 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.045 NE2 :: 112.280 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.1 G 0.01 C Shift Assignments>> C :: 180.394 CA :: 57.550 CB :: 42.068 CG :: 27.251 CD1 :: 25.254 CD2 :: 25.252 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 :: 8.125 HA :: 4.079 HB2 :: 1.423 HB3 :: 1.621 HG :: 1.550 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 120.610 Ave N Shift Values>> N :: 121.98(4.07) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 176.772 CA :: 63.815 CB :: 61.871 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.200 HA :: 3.964 HB2 :: 3.162 HB3 :: 3.830 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 :: 119.272 Ave N Shift Values>> N :: 116.3(3.95) 1.E153 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.26 K 0.04 M 0.01 Q 0.01 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> C :: 181.741(A) CA :: 59.458 CB :: 29.371 CG :: 36.780 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 :: 8.263 HA :: 4.402 HB2 :: 2.170 HB3 :: 2.010 HG2 :: 2.408 HG3 :: 2.245 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.194 Ave N Shift Values>> N :: 120.68(3.68) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.17 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.914 CA :: 58.657 CB :: 29.228 CG :: 36.409 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 :: 4.022 HB2 :: 1.962 HB3 :: 2.168 HG2 :: 2.129 HG3 :: 2.410 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 :: 120.825 Ave N Shift Values>> N :: 120.68(3.68) 1.H155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.35 C 0.27 C Shift Assignments>> C :: 173.752 CA :: 57.125 CB :: 28.077 CD2 :: 121.056 CE1 :: 137.663 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 :: 7.553 HA :: 4.416 HB2 :: 2.801 HB3 :: 3.830 HD2 :: 7.082 HE1 :: 7.813 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.261 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.262 CA :: 45.716 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.901 HA2 :: 3.690 HA3 :: 4.183 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.997 Ave N Shift Values>> N :: 109.91(4.29) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.707 CA :: 60.627 CB :: 38.171 CG1 :: 27.975 CG2 :: 17.728 CD1 :: 13.542 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 :: 7.666 HA :: 4.017 HB :: 1.292 HG12 :: 0.628 HG13 :: 1.369 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.255 Ave N Shift Values>> N :: 121.6(4.72) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 178.293 CA :: 60.922 CB :: 32.299 CG1 :: 21.851 CG2 :: 18.728 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 :: 7.927 HA :: 4.307 HB :: 2.451 HG11 :: 1.036 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.994 Ave N Shift Values>> N :: 121.02(4.96) 1.R159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.43 G 0.06 C Shift Assignments>> C :: 178.804 CA :: 59.192 CB :: 29.360 CG :: 28.664 CD :: 43.021 CZ :: 159.551 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 :: 8.689 HA :: 3.840 HB2 :: 1.827 HB3 :: 1.749 HG2 :: 1.718 HG3 :: 1.546 HD2 :: 3.172 HD3 :: 3.094 HE :: 7.346 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 :: 121.057 NE :: 84.632 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.24 K 0.07 Q 0.01 C Shift Assignments>> C :: 176.338 CA :: 58.815 CB :: 28.461 CG :: 36.669 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 :: 8.806 HA :: 4.206 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 2.383 HG3 :: 2.248 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.788 Ave N Shift Values>> N :: 120.68(3.68) 1.N161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 C 0.22 D 0.16 C Shift Assignments>> C :: 172.360 CA :: 52.172 CB :: 37.679 CG :: 177.647 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 :: 8.229 HA :: 4.663 HB2 :: 2.859 HB3 :: 4.000(S) HD21 :: 7.376 HD22 :: 6.840 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 :: 120.274 ND2 :: 108.346 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.060 CA :: 61.198 CB :: 38.405 CG1 :: 26.381 CG2 :: 17.645 CD1 :: 14.977 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 :: 7.161 HA :: 4.574 HB :: 1.984 HG12 :: 1.834 HG13 :: 0.929 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.053 Ave N Shift Values>> N :: 121.6(4.72) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 174.518 CA :: 60.677 CB :: 41.027 CG1 :: 26.852 CG2 :: 17.055 CD1 :: 13.373 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.347 HA :: 4.460 HB :: 1.700 HG12 :: 1.472 HG13 :: 1.051 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.345 Ave N Shift Values>> N :: 121.6(4.72) 1.D164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.12 C 0.1 K 0.1 F 0.06 Y 0.05 R 0.03 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 177.437 CA :: 53.302 CB :: 41.330 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 :: 8.805 HA :: 4.967 HB2 :: 2.446 HB3 :: 3.045 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 :: 126.250 Ave N Shift Values>> N :: 120.73(4.2) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.28 R 0.22 K 0.02 G 0.02 A 0.01 C Shift Assignments>> C :: 177.520 CA :: 54.860 CB :: 42.342 CG :: 27.697 CD1 :: 23.923 CD2 :: 26.594 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 :: 8.774 HA :: 4.430 HB2 :: 1.372 HB3 :: 1.814 HG :: 1.709 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.944 HD22 :: 0.944 HD23 :: 0.944 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.020 Ave N Shift Values>> N :: 121.98(4.07) 1.T166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.513 CA :: 66.360 CB :: 69.468 CG2 :: 23.274 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 :: 9.017 HA :: 3.733 HB :: 4.171 HG21 :: 1.625 HG22 :: 1.625 HG23 :: 1.625 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 :: 112.108 Ave N Shift Values>> N :: 115.7(5.05) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.33 C 0.16 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 174.205 CA :: 52.136 CB :: 38.925 CG :: 177.879 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 :: 7.995 HA :: 4.990 HB2 :: 2.653 HB3 :: 2.836 HD21 :: 7.459 HD22 :: 6.773 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 :: 118.227 ND2 :: 112.252 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.08 C 0.08 L 0.06 C Shift Assignments>> C :: 175.795 CA :: 50.046 CB :: 21.299 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.510 HA :: 4.575 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.595 Ave N Shift Values>> N :: 123.23(3.7) 1.N169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.31 D 0.11 HN Overlap>> 1.E137 1.E137 C Shift Assignments>> C :: 174.583 CA :: 53.693 CB :: 37.348 CG :: 176.883 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 :: 8.251 HA :: 4.399 HB2 :: 2.678 HB3 :: 2.760 HD21 :: 7.561 HD22 :: 6.810 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 :: 118.241 ND2 :: 111.373 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R170 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.61 C 0.32 R 0.05 C Shift Assignments>> C :: 174.901 CA :: 53.668 CB :: 32.587 CG :: 25.809 CD :: 45.322 CZ :: 160.090 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 :: 8.330 HA :: 2.539(S) HB2 :: 1.381 HB3 :: 1.552 HG2 :: 1.175 HG3 :: 1.437 HD2 :: 3.114 HD3 :: 3.084 HE :: 7.594 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.266 NE :: 86.781 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.C171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.25 C 0.19 I 0.08 D 0.07 L 0.06 N 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 175.931 CA :: 57.567 CB :: 39.630 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.456 HA :: 4.044 HB2 :: 2.831 HB3 :: 2.972 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 :: 111.313 Ave N Shift Values>> N :: 119.95(4.79) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.44 R 0.03 C Shift Assignments>> C :: 180.470 CA :: 58.414 CB :: 40.519 CG :: 27.519 CD1 :: 25.647 CD2 :: 22.489 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 :: 7.965 HA :: 3.699 HB2 :: 1.738 HB3 :: 1.462 HG :: 1.709 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.784 Ave N Shift Values>> N :: 121.98(4.07) 1.E173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.14 K 0.11 Q 0.04 C Shift Assignments>> C :: 176.306 CA :: 57.807 CB :: 28.391 CG :: 36.345 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 :: 9.003 HA :: 4.084 HB2 :: 1.910 HB3 :: 2.024 HG2 :: 2.172 HG3 :: 2.237 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.338 Ave N Shift Values>> N :: 120.68(3.68) 1.A174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 HN Overlap>> 1.I144 1.I144 C Shift Assignments>> C :: 176.838 CA :: 51.678 CB :: 19.241 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.393 HA :: 4.293 HB1 :: 0.906 HB2 :: 0.906 HB3 :: 0.906 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.839 Ave N Shift Values>> N :: 123.23(3.7) 1.R175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.34 G 0.19 C Shift Assignments>> C :: 176.246 CA :: 56.610 CB :: 32.300 CG :: 28.268 CD :: 44.144 CZ :: 158.182 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.813 HA :: 4.234 HB2 :: 1.567 HB3 :: 2.110 HG2 :: 1.850 HG3 :: 1.407 HD2 :: 3.199 HD3 :: 3.743 HE :: 7.411 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 :: 118.082 NE :: 81.887 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E176 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.14 M 0.06 K 0.02 C Shift Assignments>> C :: 181.801(A) CA :: 58.575 CB :: 30.739 CG :: 37.096 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 :: 8.589 HA :: 4.031 HB2 :: 2.075 HB3 :: 1.973 HG2 :: 2.341 HG3 :: 2.313 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 :: 127.362 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 18 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 166 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 174 #Suspicious: 2 C Shift Results: #Consistent: 776 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent:1177 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 3 N Shift Results: #Consistent: 184 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.M37 CB = 40.585(S), Expected = 32.90, Std = 2.2300, ChiSquare = 5.6855e-04 1.L38 CB = 48.526(S), Expected = 42.37, Std = 1.8600, ChiSquare = 9.3404e-04 1.K45 HG3 = 0.241(S), Expected = 1.37, Std = 0.2900, ChiSquare = 9.8970e-05 1.I46 N = 106.049(S), Expected = 121.60, Std = 4.7200, ChiSquare = 9.8526e-04 1.V54 HG11 = -0.071(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.4064e-04 1.V54 HG12 = -0.071(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.4064e-04 1.V54 HG13 = -0.071(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.4064e-04 1.V56 HG11 = -0.345(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1393e-05 1.V56 HG12 = -0.345(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1393e-05 1.V56 HG13 = -0.345(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.1393e-05 1.E57 HB2 = 0.958(S), Expected = 2.04, Std = 0.2200, ChiSquare = 8.7352e-07 1.K69 HB2 = 0.785(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.8198e-05 1.K69 HB3 = -0.131(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.9821e-13 1.K69 HG2 = 0.123(S), Expected = 1.38, Std = 0.2700, ChiSquare = 3.2311e-06 1.K69 HG3 = 0.160(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.0139e-05 1.K69 HE3 = 1.966(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.4356e-06 1.E76 N = 107.499(A), Expected = 120.68, Std = 3.6800, ChiSquare = 3.4124e-04 1.E93 HB3 = 1.247(S), Expected = 2.04, Std = 0.2300, ChiSquare = 5.6512e-04 1.Y94 HB2 = 0.923(S), Expected = 2.91, Std = 0.3700, ChiSquare = 7.8619e-08 1.D99 HB2 = 1.239(A), Expected = 2.74, Std = 0.2900, ChiSquare = 2.2686e-07 1.N102 HA = 6.336(A), Expected = 4.70, Std = 0.3900, ChiSquare = 2.7303e-05 1.Y114 HA = 6.539(S), Expected = 4.63, Std = 0.5600, ChiSquare = 6.5219e-04 1.N121 HB2 = 0.752(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.7065e-09 1.E132 HG3 = 1.404(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6012e-05 1.L133 HB2 = -0.491(S), Expected = 1.63, Std = 0.3400, ChiSquare = 4.4253e-10 1.G135 HA3 = 6.252(A), Expected = 3.93, Std = 0.4000, ChiSquare = 6.4366e-09 1.R136 HD3 = 1.548(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.4361e-13 1.R136 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R136 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.L140 CB = 49.132(S), Expected = 42.37, Std = 1.8600, ChiSquare = 2.7746e-04 1.E153 C = 181.741(A), Expected = 176.93, Std = 2.1100, ChiSquare = 2.2602e-02 1.N161 HB3 = 4.000(S), Expected = 2.78, Std = 0.3400, ChiSquare = 3.3292e-04 1.R170 HA = 2.539(S), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3512e-05 1.R170 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.E176 C = 181.801(A), Expected = 176.93, Std = 2.1100, ChiSquare = 2.0970e-02