M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.520 CA :: 58.412 CB :: 63.801 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.486 HB2 :: 3.894 HB3 :: 3.894 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) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.978 CA :: 58.634 CB :: 63.921 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.568 HA :: 4.489 HB2 :: 3.905 HB3 :: 3.905 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 :: 118.143 Ave N Shift Values>> N :: 116.3(3.95) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.233 CA :: 45.371 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.463 HA2 :: 3.999 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 :: 110.808 Ave N Shift Values>> N :: 109.91(4.29) I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.464 CA :: 61.503 CB :: 38.736 CG1 :: 27.280 CG2 :: 17.527 CD1 :: 13.116 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 :: 8.038 HA :: 4.152 HB :: 1.854 HG2 :: 0.888 HG12 :: 1.156 HG13 :: 1.416 HD1 :: 0.843 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.753 Ave N Shift Values>> N :: 121.6(4.72) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 H 0.15 R 0.15 Q 0.14 C 0.13 K 0.11 M 0.06 I 0.03 V 0.01 HN Overlap>> L29 C Shift Assignments>> CA :: 57.219 CB :: 29.950 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 :: 8.608 HA :: 4.278 HB2 :: 1.826 HB3 :: 1.826 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.344 Ave N Shift Values>> N :: 120.68(3.68) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.35 C 0.34 K 0.1 I 0.07 M 0.06 Q 0.05 C Shift Assignments>> C :: 177.033 CA :: 57.103 CB :: 29.749 CG :: 36.217 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.237 HB2 :: 1.964 HB3 :: 2.049 HG2 :: 2.284 HG3 :: 2.284 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.055 CA :: 45.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.399 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.859 Ave N Shift Values>> N :: 109.91(4.29) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.07 C Shift Assignments>> C :: 176.335 CA :: 56.071 CB :: 30.900 CG :: 27.069 CD :: 43.347 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 :: 8.073 HA :: 4.362 HB2 :: 1.755 HB3 :: 1.843 HG2 :: 1.603 HG3 :: 1.603 HD2 :: 3.150 HD3 :: 3.150 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 :: 120.254 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 C Shift Assignments>> C :: 176.373 CA :: 55.698 CB :: 32.796 CG :: 32.052 CE :: 16.987 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 :: 8.535 HA :: 4.566 HB2 :: 2.060 HB3 :: 2.127 HG2 :: 2.551 HG3 :: 2.639 HE :: 2.087 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 :: 121.879 Ave N Shift Values>> N :: 120.1(3.88) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.575 CA :: 61.851 CB :: 70.024 CG2 :: 21.538 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 :: 8.267 HA :: 4.387 HB :: 4.250 HG2 :: 1.214 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 :: 115.364 Ave N Shift Values>> N :: 115.7(5.05) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.11 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.132 CA :: 56.565 CB :: 30.317 CG :: 36.198 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 :: 8.499 HA :: 4.313 HB2 :: 2.047 HB3 :: 2.047 HG2 :: 2.075 HG3 :: 2.075 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 :: 122.994 Ave N Shift Values>> N :: 120.68(3.68) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 177.458 CA :: 52.800 CB :: 19.379 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.319 HA :: 4.279 HB :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.339 Ave N Shift Values>> N :: 123.23(3.7) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.17 C 0.11 K 0.1 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 175.746 CA :: 54.510 CB :: 40.913 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 :: 8.389 HA :: 4.568 HB2 :: 2.700 HB3 :: 2.700 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.737 Ave N Shift Values>> N :: 120.73(4.2) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.139 CA :: 61.047 CB :: 33.615 CG1 :: 21.247 CG2 :: 21.247 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 :: 7.809 HA :: 4.150 HB :: 1.992 HG1 :: 0.904 HG2 :: 0.904 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 :: 118.498 Ave N Shift Values>> N :: 121.02(4.96) N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 C 0.13 Y 0.04 L 0.04 F 0.04 C Shift Assignments>> CA :: 52.004 CB :: 39.428 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 :: 8.684 HA :: 4.712 HB2 :: 2.857 HB3 :: 2.604 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 :: 126.039 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.330 CA :: 64.121 CB :: 32.263 CG :: 27.284 CD :: 51.063 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.351 HB2 :: 1.916 HB3 :: 2.324 HG2 :: 2.014 HG3 :: 2.014 HD2 :: 3.711 HD3 :: 3.891 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) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 C Shift Assignments>> C :: 176.162 CA :: 56.912 CB :: 32.604 CE :: 41.721 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 :: 8.394 HA :: 4.152 HB2 :: 1.509 HB3 :: 1.883 HE2 :: 2.856 HE3 :: 2.856 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 :: 116.048 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.01 G 0.01 C Shift Assignments>> C :: 172.824 CA :: 49.752 CB :: 16.653 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.691 HA :: 2.761(S) HB :: 0.672 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.357 Ave N Shift Values>> N :: 123.23(3.7) Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 G 0.01 C Shift Assignments>> CA :: 54.018 CB :: 41.799 CD1 :: 132.792 CE1 :: 117.691 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 :: 6.756 HA :: 4.665 HB2 :: 2.635 HB3 :: 2.923 HD1 :: 7.127 HD2 :: 7.127 HE1 :: 6.831 HE2 :: 6.831 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 :: 123.468 Ave N Shift Values>> N :: 120.79(4.69) P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.66 P 0.32 C Shift Assignments>> C :: 173.565 CA :: 62.526 CB :: 34.208 CG :: 24.816 CD :: 50.183 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 :: 3.866 HB2 :: 1.425 HB3 :: 1.655 HG2 :: 1.929 HG3 :: 1.929 HD2 :: 3.125 HD3 :: 3.492 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) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.29 C 0.18 A 0.04 K 0.01 HN Overlap>> E13 C Shift Assignments>> C :: 176.020 CA :: 53.089 CB :: 44.076 CG :: 26.483 CD1 :: 23.320 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 :: 8.574 HA :: 4.799 HB2 :: 1.392 HB3 :: 1.816 HG :: 0.832 HD1 :: 0.691 HD2 :: 0.691 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.319 Ave N Shift Values>> N :: 121.98(4.07) A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.2 C 0.04 L 0.03 C Shift Assignments>> C :: 176.715 CA :: 52.565 CB :: 20.197 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.768 HA :: 4.154 HB :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.910 Ave N Shift Values>> N :: 123.23(3.7) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 177.842 CA :: 52.486 CB :: 40.625 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 :: 8.471 HA :: 4.626 HB2 :: 2.892 HB3 :: 3.292 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 :: 120.433 Ave N Shift Values>> N :: 120.73(4.2) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.18 I 0.09 C 0.04 V 0.02 C Shift Assignments>> C :: 180.251 CA :: 56.418 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.001 HA :: 4.055 HB :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.267 Ave N Shift Values>> N :: 123.23(3.7) H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 C 0.15 K 0.14 Q 0.13 H 0.12 I 0.11 R 0.1 M 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 177.979 CA :: 58.838 CB :: 29.066 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 :: 8.162 HA :: 4.399 HB2 :: 3.309 HB3 :: 3.309 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 :: 118.306 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 178.526 CA :: 57.375 CB :: 40.271 CG :: 26.276 CD1 :: 23.008 CD2 :: 23.008 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.974 HA :: 4.115 HB2 :: 1.785 HB3 :: 1.785 HG :: 1.471 HD1 :: 0.918 HD2 :: 0.918 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 :: 122.376 Ave N Shift Values>> N :: 121.98(4.07) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.662 CA :: 68.520 CB :: 68.612 CG2 :: 20.550 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 :: 8.818 HA :: 4.311 HB :: 3.602 HG2 :: 1.256 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 :: 115.846 Ave N Shift Values>> N :: 115.7(5.05) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.48 M 0.01 C Shift Assignments>> C :: 178.371 CA :: 59.994 CB :: 32.140 CG :: 24.946 CD :: 28.963 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 :: 7.294 HA :: 3.964 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.433 HG3 :: 1.433 HD2 :: 1.519 HD3 :: 1.519 HE2 :: 3.058 HE3 :: 3.058 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.14 M 0.02 C Shift Assignments>> C :: 179.936 CA :: 59.196 CB :: 32.624 CG :: 24.920 CD :: 29.134 CE :: 41.810 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 :: 7.207 HA :: 4.111 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.409 HG3 :: 1.551 HD2 :: 1.598 HD3 :: 1.598 HE2 :: 2.857 HE3 :: 2.857 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.139 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.28 L 0.25 G 0.08 K 0.01 C Shift Assignments>> C :: 178.123 CA :: 58.081 CB :: 43.263 CG :: 26.868 CD1 :: 27.540 CD2 :: 25.550 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 :: 9.009 HA :: 3.839 HB2 :: 1.946 HB3 :: 1.209 HG :: 1.557 HD1 :: 0.610 HD2 :: 0.600 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 :: 120.956 Ave N Shift Values>> N :: 121.98(4.07) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.3 A 0.01 C Shift Assignments>> C :: 179.898 CA :: 58.123 CB :: 39.446 CG :: 26.761 CD1 :: 26.198 CD2 :: 22.027 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 :: 8.814 HA :: 3.906 HB2 :: 2.006 HB3 :: 1.464 HG :: 2.036 HD1 :: 0.863 HD2 :: 0.704 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 :: 118.031 Ave N Shift Values>> N :: 121.98(4.07) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.12 L 0.11 D 0.09 I 0.05 R 0.02 N 0.01 HN Overlap>> Q131 C Shift Assignments>> C :: 178.406 CA :: 57.517 CB :: 40.695 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 :: 8.130 HA :: 4.507 HB2 :: 2.721 HB3 :: 2.721 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 :: 120.431 Ave N Shift Values>> N :: 120.73(4.2) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.01 C Shift Assignments>> C :: 179.893 CA :: 57.350 CB :: 40.918 CG :: 27.310 CD1 :: 24.269 CD2 :: 24.269 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 :: 7.854 HA :: 4.346 HB2 :: 2.056 HB3 :: 1.755 HG :: 1.013 HD1 :: 1.048 HD2 :: 1.048 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.544 Ave N Shift Values>> N :: 121.98(4.07) V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> A55 C Shift Assignments>> C :: 177.889 CA :: 67.535 CB :: 31.723 CG1 :: 23.091 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.164 HA :: 3.418 HB :: 2.191 HG1 :: 0.868 HG2 :: 0.868 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.000 Ave N Shift Values>> N :: 121.02(4.96) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.21 Q 0.21 E 0.14 I 0.05 R 0.04 M 0.01 HN Overlap>> E77 C Shift Assignments>> C :: 179.579 CA :: 59.530 CB :: 28.686 CG :: 34.176 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 :: 8.087 HA :: 4.562 HB2 :: 2.390 HB3 :: 2.390 HG2 :: 2.629 HG3 :: 2.629 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.944 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.2 Q 0.19 K 0.16 M 0.05 I 0.05 R 0.01 C Shift Assignments>> C :: 179.115 CA :: 59.483 CB :: 29.722 CG :: 34.409 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 :: 8.257 HA :: 4.192 HB2 :: 2.282 HB3 :: 2.282 HG2 :: 2.456 HG3 :: 2.650 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 :: 118.904 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.361 CA :: 63.291 CB :: 62.284 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.170 HA :: 3.960 HB2 :: 3.683 HB3 :: 3.683 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 :: 117.258 Ave N Shift Values>> N :: 116.3(3.95) C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.4 C 0.08 R 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 178.565 CA :: 62.710 CB :: 26.236 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.127 HA :: 4.149 HB2 :: 3.070 HB3 :: 3.283 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 :: 123.100 Ave N Shift Values>> N :: 119.95(4.79) N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.2 F 0.13 N 0.12 E 0.12 D 0.06 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 176.367 CA :: 55.981 CB :: 37.881 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 :: 7.758 HA :: 4.462 HB2 :: 2.737 HB3 :: 2.924 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 :: 119.987 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.020 CA :: 58.304 CB :: 38.224 CD1 :: 132.509 CE1 :: 117.487 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.835 HA :: 4.570 HB2 :: 2.651 HB3 :: 3.620 HD1 :: 7.337 HD2 :: 7.337 HE1 :: 6.896 HE2 :: 6.896 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 :: 116.884 Ave N Shift Values>> N :: 120.79(4.69) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.28 R 0.23 K 0.11 G 0.01 C Shift Assignments>> C :: 176.322 CA :: 57.427 CB :: 28.585 CG :: 25.194 CE :: 42.352 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 :: 7.781 HA :: 4.154 HB2 :: 2.128 HB3 :: 2.128 HG2 :: 1.424 HG3 :: 1.424 HE2 :: 3.032 HE3 :: 3.032 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 :: 114.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 M 0.22 Q 0.04 K 0.04 C Shift Assignments>> C :: 173.384 CA :: 54.344 CB :: 31.137 CG :: 36.093 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 :: 8.543 HA :: 4.606 HB2 :: 1.772 HB3 :: 2.524 HG2 :: 2.324 HG3 :: 2.324 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 :: 117.221 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.26 C 0.18 A 0.02 C Shift Assignments>> C :: 176.616 CA :: 53.598 CB :: 45.873 CG :: 25.679 CD1 :: 23.695 CD2 :: 23.695 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 :: 7.343 HA :: 5.294 HB2 :: 1.405 HB3 :: 1.667 HG :: 0.972 HD1 :: 0.883 HD2 :: 0.883 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 :: 119.835 Ave N Shift Values>> N :: 121.98(4.07) R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.28 G 0.01 C Shift Assignments>> C :: 174.979 CA :: 53.123 CB :: 31.871 CG :: 26.114 CD :: 42.005 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.174 HA :: 4.871 HB2 :: 1.684 HB3 :: 1.684 HG2 :: 1.515 HG3 :: 1.515 HD2 :: 3.281 HD3 :: 3.169 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.462 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.3 M 0.1 V 0.02 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.252 CA :: 56.074 CB :: 35.100 CG :: 23.891 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.215 HA :: 4.583 HB2 :: 1.736 HB3 :: 1.925 HG2 :: 1.425 HG3 :: 1.425 HE2 :: 2.972 HE3 :: 2.972 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 :: 122.614 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.044 CA :: 44.429 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.404 HA2 :: 4.861 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.534 Ave N Shift Values>> N :: 109.91(4.29) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.21 I 0.07 C 0.04 V 0.02 HN Overlap>> V42 C Shift Assignments>> CA :: 56.249 CB :: 18.613 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.149 HA :: 3.751 HB :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.055 Ave N Shift Values>> N :: 123.23(3.7) N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.18 F 0.12 I 0.06 N 0.05 M 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 178.392 CA :: 56.776 CB :: 37.480 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 :: 9.085 HA :: 4.470 HB2 :: 2.945 HB3 :: 2.945 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 :: 119.942 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.22 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.745 CA :: 59.148 CB :: 29.180 CG :: 36.598 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.857 HA :: 4.038 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 2.508 HG3 :: 2.508 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 :: 120.930 Ave N Shift Values>> N :: 120.68(3.68) A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.21 I 0.06 C 0.02 C Shift Assignments>> C :: 180.520 CA :: 55.633 CB :: 17.119 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.722 HA :: 3.804 HB :: 1.178 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.374 Ave N Shift Values>> N :: 123.23(3.7) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.500 CA :: 67.840 CB :: 68.639 CG2 :: 21.272 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 :: 8.285 HA :: 3.582 HB :: 4.511 HG2 :: 1.224 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.504 Ave N Shift Values>> N :: 115.7(5.05) K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 179.382 CA :: 60.426 CB :: 32.326 CG :: 25.434 CD :: 29.701 CE :: 42.272 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 :: 7.849 HA :: 4.131 HB2 :: 1.912 HB3 :: 1.912 HG2 :: 1.607 HG3 :: 1.607 HE2 :: 3.014 HE3 :: 3.014 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 :: 121.232 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.620 CA :: 64.695 CB :: 69.102 CG2 :: 22.976 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 :: 7.975 HA :: 3.893 HB :: 3.789 HG2 :: 1.260 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 :: 107.191 Ave N Shift Values>> N :: 115.7(5.05) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.29 K 0.18 L 0.09 G 0.02 C Shift Assignments>> C :: 179.981 CA :: 57.081 CB :: 42.273 CD1 :: 27.533 CD2 :: 27.533 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 :: 7.312 HA :: 4.175 HB2 :: 2.162 HB3 :: 1.171 HG :: 1.615 HD1 :: 0.810 HD2 :: 0.810 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 121.98(4.07) N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.21 F 0.15 N 0.11 E 0.09 D 0.07 I 0.04 L 0.02 M 0.02 HN Overlap>> E140 C Shift Assignments>> C :: 177.496 CA :: 56.099 CB :: 38.115 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 :: 8.204 HA :: 4.470 HB2 :: 2.911 HB3 :: 2.911 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 :: 119.117 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.19 G 0.05 C Shift Assignments>> C :: 176.333 CA :: 56.110 CB :: 31.494 CG :: 27.602 CD :: 43.217 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 :: 7.996 HA :: 4.347 HB2 :: 2.040 HB3 :: 1.647 HG2 :: 1.721 HG3 :: 1.721 HD2 :: 3.236 HD3 :: 3.236 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 :: 115.846 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 175.842 CA :: 46.848 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.577 HA2 :: 4.103 HA3 :: 4.050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.418 Ave N Shift Values>> N :: 109.91(4.29) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 174.772 CA :: 60.209 CB :: 38.932 CG1 :: 27.139 CG2 :: 16.868 CD1 :: 13.824 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.932 HA :: 4.767 HB :: 2.448 HG2 :: 0.803 HG12 :: 1.044 HG13 :: 1.044 HD1 :: 0.909 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 :: 109.219 Ave N Shift Values>> N :: 121.6(4.72) S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.513 CA :: 58.237 CB :: 64.636 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.145 HA :: 4.332 HB2 :: 3.552 HB3 :: 3.332 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.951 Ave N Shift Values>> N :: 116.3(3.95) E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.22 E 0.16 M 0.15 K 0.15 R 0.01 I 0.01 C Shift Assignments>> C :: 178.460 CA :: 58.149 CB :: 30.486 CG :: 33.940 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 :: 9.957 HA :: 4.518 HB2 :: 1.426 HB3 :: 1.922 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 :: 127.042 Ave N Shift Values>> N :: 120.68(3.68) F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.33 C 0.28 C Shift Assignments>> C :: 171.863 CA :: 57.195 CB :: 39.321 CD1 :: 131.343 CE1 :: 129.145 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 :: 7.172 HA :: 4.874 HB2 :: 2.722 HB3 :: 3.597 HD1 :: 6.692 HD2 :: 6.692 HE1 :: 6.867 HE2 :: 6.867 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 :: 109.901 Ave N Shift Values>> N :: 120.69(4.18) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.45 A 0.06 C Shift Assignments>> C :: 174.753 CA :: 57.063 CB :: 39.822 CG1 :: 27.555 CG2 :: 17.067 CD1 :: 12.695 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 :: 8.006 HA :: 4.961 HB :: 1.954 HG2 :: 0.727 HG12 :: 1.231 HG13 :: 1.231 HD1 :: 0.617 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 :: 118.642 Ave N Shift Values>> N :: 121.6(4.72) V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 V 0.22 K 0.21 M 0.05 I 0.02 R 0.01 Q 0.01 C Shift Assignments>> C :: 174.788 CA :: 60.042 CB :: 33.894 CG1 :: 23.600 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 :: 8.152 HA :: 4.972 HB :: 1.895 HG1 :: 0.857 HG2 :: 0.857 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 :: 123.274 Ave N Shift Values>> N :: 121.02(4.96) M72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 C 0.38 M 0.12 I 0.01 C Shift Assignments>> C :: 173.485 CA :: 53.331 CB :: 37.955 CG :: 32.172 CE :: 16.987 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 :: 8.448 HA :: 4.846 HB2 :: 0.630(S) HB3 :: 1.801 HG2 :: 1.882 HG3 :: 1.882 HE :: 2.087 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 :: 124.356 Ave N Shift Values>> N :: 120.1(3.88) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.08 C 0.07 L 0.05 C Shift Assignments>> C :: 176.961 CA :: 50.100 CB :: 21.132 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.066 HA :: 4.966 HB :: 1.509 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.897 Ave N Shift Values>> N :: 123.23(3.7) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.31 C 0.04 L 0.02 C Shift Assignments>> C :: 176.533 CA :: 53.772 CB :: 19.806 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.593 HA :: 4.116 HB :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.107 Ave N Shift Values>> N :: 123.23(3.7) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.16 D 0.15 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 176.609 CA :: 52.437 CB :: 38.490 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 :: 8.203 HA :: 4.744 HB2 :: 2.694 HB3 :: 3.183 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.425 Ave N Shift Values>> N :: 120.73(4.2) A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.35 L 0.06 C 0.06 V 0.01 C Shift Assignments>> C :: 175.302 CA :: 54.260 CB :: 20.313 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.160 HA :: 3.953 HB :: 1.516 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.094 Ave N Shift Values>> N :: 123.23(3.7) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.29 E 0.08 Q 0.01 HN Overlap>> Q43 C Shift Assignments>> CA :: 52.559 CB :: 33.270 CG :: 35.999 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 :: 8.082 HA :: 4.987 HB2 :: 1.952 HB3 :: 1.859 HG2 :: 2.221 HG3 :: 2.221 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 :: 120.950 Ave N Shift Values>> N :: 120.68(3.68) P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> C :: 176.611 CA :: 63.223 CB :: 33.715 CG :: 25.307 CD :: 49.946 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.953 HB2 :: 2.324 HB3 :: 2.491 HG2 :: 2.073 HG3 :: 2.073 HD2 :: 3.631 HD3 :: 3.631 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) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.36 R 0.01 C Shift Assignments>> C :: 177.740 CA :: 57.569 CB :: 41.555 CG :: 26.791 CD1 :: 23.859 CD2 :: 23.859 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.812 HA :: 3.880 HB2 :: 1.626 HB3 :: 1.739 HG :: 0.815 HD1 :: 1.140 HD2 :: 1.140 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 :: 125.450 Ave N Shift Values>> N :: 121.98(4.07) E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.33 E 0.24 K 0.02 C Shift Assignments>> C :: 177.780 CA :: 60.190 CB :: 29.372 CG :: 37.282 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 :: 8.896 HA :: 3.839 HB2 :: 2.058 HB3 :: 2.058 HG2 :: 2.287 HG3 :: 2.501 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 :: 113.260 Ave N Shift Values>> N :: 120.68(3.68) I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.257 CA :: 63.997 CB :: 38.410 CG1 :: 27.388 CG2 :: 18.061 CD1 :: 13.766 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 :: 7.390 HA :: 4.189 HB :: 1.970 HG2 :: 1.031 HG12 :: 1.585 HG13 :: 1.585 HD1 :: 0.921 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 :: 116.211 Ave N Shift Values>> N :: 121.6(4.72) I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 177.384 CA :: 60.708 CB :: 39.830 CG1 :: 26.932 CG2 :: 20.154 CD1 :: 15.500 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 :: 7.817 HA :: 4.867 HB :: 2.364 HG2 :: 0.892 HG12 :: 1.216 HG13 :: 1.501 HD1 :: 1.132 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 :: 108.478 Ave N Shift Values>> N :: 121.6(4.72) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 179.204 CA :: 57.468 CB :: 40.535 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 :: 7.283 HA :: 4.199 HB2 :: 1.750 HB3 :: 1.750 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 :: 119.293 Ave N Shift Values>> N :: 121.98(4.07) H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.15 H 0.14 K 0.14 C 0.13 R 0.13 I 0.05 M 0.04 V 0.01 L 0.01 HN Overlap>> C89 Q130 C Shift Assignments>> C :: 177.860 CA :: 57.773 CB :: 29.505 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 :: 8.622 HA :: 4.602 HB2 :: 3.002 HB3 :: 3.002 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 :: 116.966 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.33 K 0.02 L 0.01 C Shift Assignments>> CA :: 59.106 CB :: 39.109 CG :: 24.140 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 :: 7.452 HA :: 3.820 HB2 :: 2.363 HB3 :: 0.774 HG :: 0.565 HD1 :: 0.657 HD2 :: 0.657 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 :: 122.195 Ave N Shift Values>> N :: 121.98(4.07) P86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.83 C 0.13 I 0.01 C Shift Assignments>> C :: 176.954 CA :: 66.216 CB :: 31.812 CG :: 28.528 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 2.727(S) HB2 :: 1.644 HB3 :: 2.102 HG2 :: 1.867 HG3 :: 1.867 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) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.07 C Shift Assignments>> C :: 179.338 CA :: 57.617 CB :: 41.522 CG :: 27.277 CD1 :: 25.283 CD2 :: 25.283 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.196 HA :: 4.007 HB2 :: 1.603 HB3 :: 1.743 HG :: 1.703 HD1 :: 0.980 HD2 :: 0.875 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 :: 113.011 Ave N Shift Values>> N :: 121.98(4.07) L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 K 0.26 L 0.25 C 0.16 I 0.03 G 0.01 C Shift Assignments>> C :: 176.843 CA :: 57.444 CB :: 42.580 CG :: 25.783 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 :: 7.567 HA :: 4.255 HB2 :: 1.705 HB3 :: 1.705 HG :: 0.989 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.477 Ave N Shift Values>> N :: 121.98(4.07) C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.42 C 0.04 V 0.01 HN Overlap>> H84 C Shift Assignments>> C :: 176.804 CA :: 65.104 CB :: 27.241 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.615 HA :: 3.853 HB2 :: 3.913 HB3 :: 2.752 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 :: 116.939 Ave N Shift Values>> N :: 119.95(4.79) E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.06 Q 0.01 M 0.01 HN Overlap>> I122 C Shift Assignments>> CA :: 59.398 CB :: 29.071 CG :: 36.604 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 :: 8.181 HA :: 4.267 HB2 :: 2.199 HB3 :: 2.199 HG2 :: 2.528 HG3 :: 2.745 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 :: 119.480 Ave N Shift Values>> N :: 120.68(3.68) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.15 L 0.15 C 0.12 Y 0.12 R 0.08 D 0.08 I 0.02 C Shift Assignments>> C :: 177.854 CA :: 57.352 CB :: 41.587 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 :: 7.769 HA :: 4.468 HB2 :: 2.835 HB3 :: 2.835 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 :: 119.678 Ave N Shift Values>> N :: 120.73(4.2) K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.3 R 0.26 M 0.01 G 0.01 C Shift Assignments>> C :: 175.548 CA :: 54.497 CB :: 32.455 CG :: 24.778 CD :: 27.943 CE :: 42.267 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 :: 7.809 HA :: 4.360 HB2 :: 1.685 HB3 :: 2.236 HG2 :: 1.653 HG3 :: 1.653 HD2 :: 1.561 HD3 :: 1.561 HE2 :: 2.989 HE3 :: 2.989 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 :: 114.728 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.26 E 0.12 Y 0.12 F 0.06 D 0.05 M 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 173.896 CA :: 54.456 CB :: 37.271 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 :: 7.999 HA :: 4.419 HB2 :: 2.819 HB3 :: 3.179 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 :: 117.991 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.19 M 0.08 I 0.04 K 0.04 HN Overlap>> I139 C Shift Assignments>> CA :: 59.540 CB :: 35.789 CG1 :: 22.446 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 :: 8.436 HA :: 4.566 HB :: 1.625 HG1 :: 0.936 HG2 :: 0.936 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 :: 121.705 Ave N Shift Values>> N :: 121.02(4.96) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 173.767 CA :: 63.167 CB :: 32.740 CG :: 27.859 CD :: 51.300 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.408 HB2 :: 1.783 HB3 :: 2.244 HG2 :: 2.111 HG3 :: 2.111 HD2 :: 4.164 HD3 :: 4.064 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) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.43 Y 0.05 G 0.01 C Shift Assignments>> C :: 171.453 CA :: 54.339 CB :: 41.872 CD1 :: 129.637 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 :: 6.801 HA :: 5.862 HB2 :: 2.312 HB3 :: 3.394 HD1 :: 7.052 HD2 :: 7.052 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 :: 115.039 Ave N Shift Values>> N :: 120.79(4.69) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.37 I 0.01 C Shift Assignments>> C :: 170.859 CA :: 59.761 CB :: 35.147 CG1 :: 22.370 CG2 :: 20.025 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 :: 7.863 HA :: 4.286 HB :: 1.938 HG1 :: 0.931 HG2 :: 0.762 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 :: 114.216 Ave N Shift Values>> N :: 121.02(4.96) F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.33 C 0.25 C Shift Assignments>> C :: 176.124 CA :: 56.353 CB :: 41.120 CD1 :: 131.480 CE1 :: 131.164 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 :: 8.675 HA :: 5.602 HB2 :: 2.554 HB3 :: 2.942 HD1 :: 6.858 HD2 :: 6.858 HE1 :: 7.324 HE2 :: 7.324 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 :: 122.273 Ave N Shift Values>> N :: 120.69(4.18) V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.19 A 0.02 I 0.01 C Shift Assignments>> C :: 176.854 CA :: 58.503 CB :: 33.596 CG1 :: 22.853 CG2 :: 18.438 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.060 HA :: 4.907 HB :: 2.577 HG1 :: 0.878 HG2 :: 0.710 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 :: 111.264 Ave N Shift Values>> N :: 121.02(4.96) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.25 K 0.18 G 0.08 C Shift Assignments>> C :: 176.646 CA :: 60.493 CB :: 31.273 CG :: 29.873 CD :: 43.006 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 :: 8.875 HA :: 3.889 HB2 :: 1.803 HB3 :: 1.803 HD2 :: 3.203 HD3 :: 3.203 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.645 CA :: 55.117 CB :: 64.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.828 HA :: 5.375 HB2 :: 3.874 HB3 :: 3.874 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 :: 107.793 Ave N Shift Values>> N :: 116.3(3.95) K102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.34 R 0.15 G 0.02 C Shift Assignments>> C :: 179.122 CA :: 57.741 CB :: 32.113 CD :: 30.438 CE :: 42.461 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 :: 11.459(S) HA :: 4.453 HB2 :: 1.565 HB3 :: 1.565 HD2 :: 1.136 HD3 :: 1.528 HE2 :: 3.030 HE3 :: 2.880 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 133.405 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.09 E 0.07 I 0.02 M 0.02 P 0.01 C Shift Assignments>> C :: 178.243 CA :: 59.112 CB :: 28.277 CG :: 33.499 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 :: 8.676 HA :: 4.072 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 2.378 HG3 :: 2.378 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.914 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 HN Overlap>> A108 C Shift Assignments>> C :: 180.838 CA :: 54.656 CB :: 18.225 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.003 HA :: 4.085 HB :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.060 Ave N Shift Values>> N :: 123.23(3.7) L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 C Shift Assignments>> C :: 178.750 CA :: 57.584 CB :: 41.059 CG :: 27.173 CD1 :: 24.324 CD2 :: 23.167 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 :: 8.595 HA :: 4.109 HB2 :: 1.143 HB3 :: 2.365 HG :: 1.274 HD1 :: 0.504 HD2 :: 0.775 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 :: 120.590 Ave N Shift Values>> N :: 121.98(4.07) G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 P 0.27 C 0.24 A 0.1 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 175.342 CA :: 48.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.316 HA2 :: 4.283 HA3 :: 3.530 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.442 Ave N Shift Values>> N :: 109.91(4.29) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.36 K 0.09 G 0.05 L 0.01 C Shift Assignments>> C :: 181.323 CA :: 59.167 CB :: 29.649 CG :: 27.244 CD :: 43.069 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 :: 7.751 HA :: 4.284 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 1.772 HG3 :: 1.666 HD2 :: 3.187 HD3 :: 3.187 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 :: 120.502 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> A104 C Shift Assignments>> C :: 177.389 CA :: 55.275 CB :: 19.178 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.960 HA :: 4.199 HB :: 1.675 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.964 Ave N Shift Values>> N :: 123.23(3.7) C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.16 R 0.12 K 0.08 E 0.07 Q 0.06 P 0.06 H 0.05 L 0.02 V 0.01 C Shift Assignments>> C :: 174.005 CA :: 60.408 CB :: 27.882 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.496 HA :: 4.113 HB2 :: 2.804 HB3 :: 3.206 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 :: 111.397 Ave N Shift Values>> N :: 119.95(4.79) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.721 CA :: 46.134 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.928 HA2 :: 4.108 HA3 :: 3.825 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.000 Ave N Shift Values>> N :: 109.91(4.29) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.2 I 0.04 A 0.01 C Shift Assignments>> C :: 175.215 CA :: 59.001 CB :: 35.306 CG1 :: 22.778 CG2 :: 19.289 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 :: 7.820 HA :: 4.869 HB :: 2.221 HG1 :: 0.851 HG2 :: 0.775 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 :: 111.946 Ave N Shift Values>> N :: 121.02(4.96) S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.626 CA :: 57.246 CB :: 62.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.490 HA :: 4.506 HB2 :: 3.930 HB3 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.287 Ave N Shift Values>> N :: 116.3(3.95) R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 C 0.21 R 0.15 Q 0.12 M 0.12 E 0.07 K 0.07 P 0.01 C Shift Assignments>> CA :: 53.043 CB :: 30.351 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 :: 7.086 HA :: 4.900 HB2 :: 1.922 HB3 :: 1.922 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 :: 118.701 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.074 CA :: 62.728 CB :: 32.165 CG :: 27.591 CD :: 50.002 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.210 HB2 :: 1.629 HB3 :: 1.821 HG2 :: 2.098 HG3 :: 2.098 HD2 :: 3.677 HD3 :: 3.677 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) V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.31 I 0.01 C Shift Assignments>> C :: 174.505 CA :: 61.324 CB :: 36.030 CG1 :: 23.617 CG2 :: 22.078 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 :: 7.552 HA :: 4.368 HB :: 1.371 HG1 :: 0.913 HG2 :: 0.936 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.127 Ave N Shift Values>> N :: 121.02(4.96) I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.068 CA :: 61.042 CB :: 39.135 CG1 :: 25.235 CG2 :: 18.462 CD1 :: 15.225 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 :: 8.521 HA :: 4.599 HB :: 2.230 HG2 :: 0.935 HG12 :: 1.213 HG13 :: 1.408 HD1 :: 0.950 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 :: 115.103 Ave N Shift Values>> N :: 121.6(4.72) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.12 L 0.11 C 0.08 C Shift Assignments>> C :: 174.703 CA :: 51.127 CB :: 21.468 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.114 HA :: 5.249 HB :: 0.987 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.177 Ave N Shift Values>> N :: 123.23(3.7) C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 H 0.14 M 0.14 E 0.13 K 0.11 Q 0.1 V 0.01 I 0.01 C Shift Assignments>> C :: 170.220 CA :: 56.511 CB :: 31.192 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.280 HA :: 5.003 HB2 :: 2.867 HB3 :: 2.943 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 :: 114.438 Ave N Shift Values>> N :: 119.95(4.79) S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.05 C Shift Assignments>> C :: 173.881 CA :: 54.433 CB :: 66.269 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.770 HA :: 5.092 HB2 :: 3.226 HB3 :: 3.459 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 :: 113.021 Ave N Shift Values>> N :: 116.3(3.95) V120 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.128 CA :: 61.302 CB :: 31.795 CG1 :: 22.102 CG2 :: 22.102 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 :: 7.536 HA :: 4.804 HB :: 0.589(S) HG1 :: 0.750 HG2 :: 0.540 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 :: 130.180 Ave N Shift Values>> N :: 121.02(4.96) SRO Rule Breaks>> (HB > HG1 : 0.9918) T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 173.741 CA :: 60.268 CB :: 70.571 CG2 :: 22.635 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 :: 8.496 HA :: 5.116 HB :: 4.304 HG2 :: 0.947 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 :: 118.447 Ave N Shift Values>> N :: 115.7(5.05) I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> E90 C Shift Assignments>> C :: 176.871 CA :: 61.669 CB :: 40.049 CG1 :: 27.704 CG2 :: 16.496 CD1 :: 14.347 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 :: 8.116 HA :: 3.938 HB :: 1.433 HG2 :: 0.785 HG12 :: 1.340 HG13 :: 1.340 HD1 :: 0.822 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.519 Ave N Shift Values>> N :: 121.6(4.72) K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.2 M 0.02 G 0.02 C Shift Assignments>> C :: 175.593 CA :: 55.460 CB :: 35.574 CG :: 24.616 CD :: 29.381 CE :: 42.416 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 :: 8.932 HA :: 4.542 HB2 :: 1.638 HB3 :: 1.638 HG2 :: 1.295 HG3 :: 1.389 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.058 HE3 :: 3.058 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 :: 131.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.14 I 0.09 Q 0.09 M 0.02 C Shift Assignments>> C :: 177.568 CA :: 58.174 CB :: 29.114 CG :: 35.740 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 :: 9.183 HA :: 4.091 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 2.276 HG3 :: 2.276 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 :: 131.131 Ave N Shift Values>> N :: 120.68(3.68) 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 :: 174.743 CA :: 45.684 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.075 HA2 :: 4.072 HA3 :: 3.795 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.300 Ave N Shift Values>> N :: 109.91(4.29) S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.076 CA :: 58.520 CB :: 63.673 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.465 HA :: 4.122 HB2 :: 3.716 HB3 :: 3.716 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 :: 111.588 Ave N Shift Values>> N :: 116.3(3.95) Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.13 R 0.05 M 0.02 I 0.02 C Shift Assignments>> C :: 176.430 CA :: 57.460 CB :: 28.462 CG :: 34.134 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.247 HA :: 4.306 HB2 :: 1.835 HB3 :: 2.174 HG2 :: 2.458 HG3 :: 2.458 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 :: 129.097 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.25 A 0.15 R 0.02 G 0.01 C Shift Assignments>> C :: 176.897 CA :: 53.907 CB :: 41.938 CG :: 26.256 CD1 :: 22.243 CD2 :: 25.167 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 :: 8.387 HA :: 4.417 HB2 :: 1.460 HB3 :: 1.460 HG :: 1.034 HD1 :: 0.596 HD2 :: 0.646 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.383 Ave N Shift Values>> N :: 121.98(4.07) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 177.027 CA :: 59.926 CB :: 32.868 CD :: 28.806 CE :: 42.293 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 :: 7.134 HA :: 3.833 HB2 :: 1.990 HB3 :: 1.990 HE2 :: 2.987 HE3 :: 2.987 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 :: 119.454 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.18 Q 0.18 E 0.13 I 0.08 R 0.04 P 0.01 HN Overlap>> H84 C Shift Assignments>> C :: 179.124 CA :: 59.641 CB :: 27.934 CG :: 34.424 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 :: 8.659 HA :: 4.137 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.441 HG3 :: 2.441 HE21 :: 7.579 HE22 :: 6.905 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 :: 117.061 NE2 :: 111.853 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.26 Q 0.17 K 0.14 M 0.11 I 0.01 HN Overlap>> D40 C Shift Assignments>> C :: 179.100 CA :: 55.920 CB :: 30.004 CG :: 35.147 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 :: 8.107 HA :: 4.358 HB2 :: 2.115 HB3 :: 2.115 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.498 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.270 CA :: 66.087 CB :: 38.124 CG1 :: 31.164 CG2 :: 17.063 CD1 :: 14.500 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 :: 8.705 HA :: 3.499 HB :: 1.973 HG2 :: 0.849 HG12 :: 0.862 HG13 :: 1.880 HD1 :: 0.714 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.130 Ave N Shift Values>> N :: 121.6(4.72) Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.19 Q 0.19 E 0.18 I 0.06 R 0.03 M 0.01 C Shift Assignments>> C :: 179.070 CA :: 58.916 CB :: 28.451 CG :: 34.672 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 :: 8.600 HA :: 4.543 HB2 :: 2.050 HB3 :: 2.246 HG2 :: 2.599 HG3 :: 2.599 HE21 :: 7.371 HE22 :: 6.988 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.083 NE2 :: 111.787 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.796 CA :: 61.346 CB :: 62.836 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.846 HA :: 4.225 HB2 :: 3.989 HB3 :: 3.989 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 :: 113.864 Ave N Shift Values>> N :: 116.3(3.95) I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.37 M 0.02 C Shift Assignments>> C :: 177.749 CA :: 62.680 CB :: 35.594 CG1 :: 29.791 CG2 :: 18.218 CD1 :: 11.289 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 :: 7.903 HA :: 3.718 HB :: 1.819 HG2 :: 0.017 HG12 :: 1.227 HG13 :: 1.334 HD1 :: 0.613 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 :: 123.434 Ave N Shift Values>> N :: 121.6(4.72) Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.2 E 0.16 K 0.12 Q 0.09 R 0.02 P 0.02 C Shift Assignments>> C :: 178.201 CA :: 60.247 CB :: 27.787 CG :: 35.117 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 :: 8.803 HA :: 3.470 HB2 :: 2.038 HB3 :: 2.567 HG2 :: 2.613 HG3 :: 2.094 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.604 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.21 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.860 CA :: 58.920 CB :: 28.299 CG :: 34.245 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.941 HA :: 4.057 HB2 :: 2.172 HB3 :: 2.172 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 :: 116.932 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 P 0.2 T 0.19 I 0.15 S 0.14 C 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.371 CB :: 62.914 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.961 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.458 Ave N Shift Values>> N :: 116.3(3.95) I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> V94 C Shift Assignments>> C :: 177.385 CA :: 65.563 CB :: 37.882 CG1 :: 28.376 CG2 :: 19.505 CD1 :: 14.086 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 :: 8.410 HA :: 3.400 HB :: 1.582 HG2 :: 0.633 HG12 :: 1.691 HG13 :: 0.363 HD1 :: 0.199 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 :: 121.595 Ave N Shift Values>> N :: 121.6(4.72) E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.21 K 0.08 Q 0.04 M 0.01 HN Overlap>> N63 C Shift Assignments>> C :: 179.433 CA :: 59.729 CB :: 29.130 CG :: 36.017 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 :: 8.205 HA :: 3.897 HB2 :: 2.101 HB3 :: 2.101 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.039 Ave N Shift Values>> N :: 120.68(3.68) R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.1 G 0.07 I 0.01 C Shift Assignments>> C :: 177.595 CA :: 58.157 CB :: 30.328 CD :: 43.385 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 :: 7.370 HA :: 4.120 HB2 :: 1.943 HB3 :: 1.943 HD2 :: 3.204 HD3 :: 3.204 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 :: 115.719 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.36 A 0.13 G 0.01 C Shift Assignments>> C :: 177.909 CA :: 55.717 CB :: 41.957 CG :: 25.520 CD1 :: 21.824 CD2 :: 21.824 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 :: 7.694 HA :: 4.224 HB2 :: 1.949 HB3 :: 1.445 HG :: 0.731 HD1 :: 0.868 HD2 :: 0.868 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.042 Ave N Shift Values>> N :: 121.98(4.07) L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 A 0.05 G 0.02 C Shift Assignments>> C :: 176.353 CA :: 54.761 CB :: 42.219 CG :: 25.888 CD1 :: 22.914 CD2 :: 22.914 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 :: 7.259 HA :: 4.462 HB2 :: 1.725 HB3 :: 1.578 HG :: 0.794 HD1 :: 0.640 HD2 :: 0.640 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 :: 118.656 Ave N Shift Values>> N :: 121.98(4.07) V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> CA :: 63.836 CB :: 32.926 CG1 :: 20.162 CG2 :: 20.162 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 :: 7.289 HA :: 4.043 HB :: 2.158 HG1 :: 0.960 HG2 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.695 Ave N Shift Values>> N :: 121.02(4.96) ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 1 C Shift Results: #Consistent: 557 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 736 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 130 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A26 HA = 2.761(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.5828e-04 M72 HB2 = 0.630(S), Expected = 2.03, Std = 0.3800, ChiSquare = 2.2941e-04 P86 HA = 2.727(S), Expected = 4.41, Std = 0.3600, ChiSquare = 2.9395e-06 K102 H = 11.459(S), Expected = 8.22, Std = 0.6400, ChiSquare = 4.1720e-07 V120 HB = 0.589(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.1815e-05 V120 SRO Rule Break>> HB > HG1 : 0.991770514930637